added my_data4 after outputting merged_df3 for pnca to test the ml models
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#!/usr/bin/env python3
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# -*- coding: utf-8 -*-
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"""
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Created on Thu Feb 17 14:52:55 2022
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@author: tanu
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"""
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from sklearn.datasets import load_boston
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from sklearn import linear_model
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from sklearn import preprocessing
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import pandas as pd
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import seaborn as sns
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import matplotlib.pyplot as plt
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import numpy as np
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print(np.__version__)
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print(pd.__version__)
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boston = load_boston()
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dir(boston)
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#['DESCR', 'data', 'data_module', 'feature_names', 'filename', 'target']
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X, y = boston.data, boston.target
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df = pd.DataFrame(X, columns = boston.feature_names)
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df['MEDV'] = y
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sns.scatterplot(x = 'CRIM', y = 'MEDV', data = df)
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plt.show()
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#Model fitting
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#To fit a model using just a single predictor we first extract the training variables.
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X_train = df['CRIM']
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y_train = y
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# Unfortunately, sklearn ’s various model fitting functions typically expect a
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# two dimensional array for the covariates. Since we have extracted only
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# a single feature here it is only one dimensional. We need to reshape the
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# X_train values to be the appropriate shape.
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# This is not necessary if using more than a single feature.
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if len(X_train.values.shape) == 1:
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X_train = X_train.values.reshape(-1, 1)
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# Create a LinearRegression object: This object is of a broader class of estima-
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#tor objects.
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model = linear_model.LinearRegression()
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model.fit(X_train, y_train)
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# We can make predictions from our fitted model with the .predict() method.
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new_value = np.array(4.09, ndmin = 2)
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model.predict(new_value)
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multiple_values = np.array([1, 2, 3], ndmin = 2).T
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model.predict(multiple_values)
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#Fitted values
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#Fitted values of a model typically describes the predicted ŷ for the obser-
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#vations X . To get the model fitted values we could just predict from the
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#model using the values used to train it.
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fitted = model.predict(X_train)
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ax = sns.scatterplot(x = 'CRIM', y = 'MEDV', data = df)
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sns.lineplot(df['CRIM'], fitted, ax = ax)
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plt.show()
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# Interpreting the coefficients
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# The coefficients of the fitted model are kept in the model.coef_ attribute.
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# This gives us the expected change in y for a unit change in X .
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model.coef_
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#2.3 Multiple linear regression
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X_train = df.iloc[:,:3]
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grid = sns.PairGrid(data=pd.concat([X_train,pd.Series(y_train,name="MEDV")],axis = 1))
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grid.map_offdiag(sns.scatterplot)
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grid.map_diag(sns.distplot)
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plt.show()
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model.fit(X_train, y_train)
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new_values = np.array(X_train.mean(), ndmin = 2)
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model.predict(new_values)
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#Residuals
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#In classical statistics, one of our assump-
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#tions it that the residuals are normally dis-
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#tributed.Small RSS implies the fitted model is
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#closer to the observations.
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fitted = model.predict(X_train)
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resid = y_train - fitted
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# Standardise to remove effect of measurement scale
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resid = (resid - np.mean(resid))/np.std(resid,ddof = 1)
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plt.figure()
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for i in range(3):
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xvar = X_train.iloc[:,i]
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ax = plt.subplot(3, 1, i + 1)
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ax.scatter(xvar, resid)
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ax.set_xlabel(boston.feature_names[i])
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ax.set_ylabel("Residuals")
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ax.hlines([-2, 0, 2], np.min(xvar), np.max(xvar))
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plt.show()
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plt.figure()
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ax = plt.subplot(3, 1, 1)
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ax.scatter(fitted,resid)
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ax.set_xlabel('Fitted values')
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ax.set_ylabel('Residuals')
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ax = plt.subplot(3,1,2)
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ax.scatter(fitted,y_train)
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ax.set_xlabel('Fitted values')
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ax.set_ylabel('Predicted values')
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ax = plt.subplot(3, 1,3)
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import scipy.stats as stats
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stats.probplot(resid,dist = 'norm',plot = ax)
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plt.show()
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#Scaling data: many types available
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# sklearn comes with many preprocessing transformations in the sklearn.preprocessing module
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#Scaling is crucial for many statistical and machine learning algorithms
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# • k-means and hierarchical clustering
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# – Data units & variance play crucial role in cluster selection
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# • Using gradient descent optimization
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# – Scaled data allows the weights to update at an equal speed
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# • Scaled data allows the regression coefficients to be compared
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#########################################################
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# Min-max scaling
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# DOESN'T change the shape
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# DOES change the bounds, mean and sd
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# NOT often used in LR
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# used more in GDO (gradient Descent Optimisation)
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# sklearn.preprocessing module has a MinMaxScaler() for this
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##########################################################
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np.random.seed(1)
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x_n = np.random.normal(2, 5, 500)
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x_t = np.random.standard_t(2, 500)
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x_ln = np.random.lognormal(1, 1, 500)
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df = pd.DataFrame({ 'Normal': x_n, 'T': x_t, 'Lognormal': x_ln
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})
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df_long = df.melt(var_name='Distribution')
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g = sns.FacetGrid(df_long, col='Distribution',sharex=False)
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g.map(plt.hist, 'value', bins = 50)
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plt.show()
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def min_max(x):
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min = np.min(x)
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s = (x - min)/(np.max(x) - min)
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return (s)
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scaled = df.apply(min_max).melt(var_name='Distribution')
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scaled['Scaled'] = True
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df_long['Scaled'] = False
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full_data = pd.concat([df_long, scaled], axis=0)
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g = sns.FacetGrid(full_data, col='Distribution'
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,row='Scaled'
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, sharex=False
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, sharey=False)
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g.map(plt.hist, 'value', bins = 50)
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plt.show()
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df.apply([np.mean,np.std])
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df.apply(min_max).apply([np.mean,np.std])
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# sklearn: MinMaxScaler()
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scaler = preprocessing.MinMaxScaler()
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scaler.fit(X_train)
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X_train_scaled = scaler.transform(X_train)
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X_train_scaled[:1]
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##########################################################
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# z-score standardisation
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# DOESN'T change the shape
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# popular in linear models
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# DOESN'T effect the predictions
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# but makes the size of the coeffs directly comparable
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# sklearn.preprocessing module has a StandardScaler() for this
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##########################################################
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def z_score(x):
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mean = np.mean(x)
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std = np.std(x, ddof=1)
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return (x - mean)/std
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scaled = df.apply(z_score).melt(var_name='Distribution')
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scaled['Scaled'] = True
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full_data = pd.concat([df_long, scaled], axis=0)
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g = sns.FacetGrid(full_data, col='Distribution'
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, row ='Scaled'
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, sharex=False
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,sharey=False)
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g.map(plt.hist, 'value', bins=50)
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###############################################
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# Dividing by two standard deviations
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# http://www.stat.columbia.edu/
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# ~gelman/research/published/ standardizing7.pdf
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# One of the downsides of scaling data by z-scoring is that is not obvious
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# how this should be handled in the case of categorical variables.
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# suggest the use of a rescaling that divides numeric vari-
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# ables by two standard deviations, whilst leaving binary encoded categorical
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# variables untransformed.
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# nothing in sklearn for this
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###############################################
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from sklearn.base import BaseEstimator, TransformerMixin
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class two_sd_scaler(BaseEstimator, TransformerMixin):
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def fit(self, X, y=None):
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self.stds = 2*np.std(X, axis=0, ddof=1)
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return self
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def transform(self, X, y=None):
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return X/self.stds
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# Having preprocessed the data this way we can not fit a model to it in the
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# same way as before.
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model2 = linear_model.LinearRegression()
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model2.fit(X_train_scaled, y_train)
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#When making predictions on new values we also need to make sure to pass
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#the new values through the same preprocessing step.
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new_value = np.array(X_train.mean(), ndmin = 2)
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new_scaled = scaler.transform(new_value)
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pred = model2.predict(new_scaled)
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pred
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##########################
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# 2.5 Creating a pipeline
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##########################
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# For any training data set and any data for prediction we will want to apply
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# the same scaling transformation and use the same model. We could create
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# a sklearn.pipeline.Pipeline() to organise the steps to creating the
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# estimator
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from sklearn.pipeline import Pipeline
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model = Pipeline(steps = [('preprocess', preprocessing.StandardScaler())
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,('regression', linear_model.LinearRegression())
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])
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# Having created the Pipeline object we can now fit as before. Calling
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# .fit() now however, will first fit the 'preprocess' step and then the
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# 'regression' step. When we predict, the new values will also pass through
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# both stages of our pipeline.
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model.fit(X_train,y_train)
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new_values = np.array(X_train.mean(), ndmin = 2)
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model.predict(new_values)
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#from sklearn.metrics import accuracy_score
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#print(accuracy_score(y_test, model.predict(X_test)))
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#2.6 Preprocessing categorical variables
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# One hot encoding: will take a categorical feature with K categories and
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# create a ‘one of K ’ encoding scheme. I.e a set of binary variables for each
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# category. Consider the toy data
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toy = pd.DataFrame({
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'category':['a', 'a', 'b', 'c', 'b']
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})
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enc = preprocessing.OneHotEncoder()
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enc.fit(toy)
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enc.transform(toy).toarray()
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#Combining preprocessing steps:
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# the preprocessing steps into a single operation
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# for our Pipeline using a sklearn.compose.ColumnTransformer
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toy = pd.DataFrame({
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'numeric': [1., 2., 3., 4., 5.],
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'category': ['a', 'a', 'b', 'c', 'b']
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})
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from sklearn.compose import ColumnTransformer
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from sklearn.preprocessing import StandardScaler, OneHotEncoder
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numeric_features = ['numeric']
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categorical_features = ['category']
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preprocessor = ColumnTransformer(transformers=[('num', StandardScaler()
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, numeric_features)
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,('cat', OneHotEncoder(), categorical_features)])
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preprocessor.fit(toy)
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preprocessor.transform(toy)
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# This preprocessing step could then be a step in the pipeline for a regres-
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# sion
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model = Pipeline(steps = [('preprocess', preprocessor)
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,('regression', linear_model.LinearRegression())])
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# fit the preprocessor pipeline to the data
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preprocessor.fit(toy)
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# transformer will now give the appropriate pre-processing for different types of variables.
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preprocessor.transform(toy)
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#This preprocessing step could then be a step in the pipeline for a regression
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model = Pipeline(steps = [('preprocess', preprocessor)
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,('regression', linear_model.LinearRegression())])
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#Model Assessment and Feature Selection
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#%%#####################################################################
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# Accuracy score is only for classification problems.
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# For regression problems you can use: R2 Score, MSE (Mean Squared Error), RMSE (Root Mean Squared Error).
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from sklearn import datasets
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from sklearn.model_selection import train_test_split
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from sklearn.preprocessing import StandardScaler
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from sklearn.decomposition import PCA
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from sklearn.tree import DecisionTreeClassifier
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from sklearn.ensemble import RandomForestClassifier
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from sklearn.pipeline import Pipeline
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from sklearn import preprocessing
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# read data
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iris = datasets.load_iris()
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# assign X and y
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X = iris.data
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y = iris.target
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# split data into train and testing part (25 % of data is test size of the data)
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X_train, X_test, y_train, y_test = train_test_split(X, y, test_size = 0.25)
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# preprocess the data
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# scaling
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scaler = preprocessing.MinMaxScaler()
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# fit X_train to scaling
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scaler.fit(X_train)
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# Apply the scaling/transforamtion to the dta
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X_train_scaled = scaler.transform(X_train)
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# Choose the required model/s
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model2 = linear_model.LinearRegression() # Classification metrics can't handle a mix of multiclass and continuous targets
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model2 = DecisionTreeClassifier()
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# fit the model to the data for predictions
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model2.fit(X_train_scaled, y_train)
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# check model performace
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print(accuracy_score(y_test, model2.predict(X_test)))
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#When making predictions on new values we also need to make sure to pass
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#the new values through the same preprocessing step.
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new_value = np.array(X_train.mean(), ndmin = 2)
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new_scaled = scaler.transform(new_value)
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pred = model2.predict(new_scaled)
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pred
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# or Create a pipeline that standardizes the data then creates a model
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# make a pipeline
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# PCA(Dimension reduction to two) -> Scaling the data -> DecisionTreeClassification
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pipe1 = Pipeline([('pca', PCA(n_components = 2))
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, ('std', StandardScaler())
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, ('decision_tree', DecisionTreeClassifier())]
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, verbose = True)
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pipe2 = Pipeline(steps = [('preprocess', preprocessing.StandardScaler())
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#,('regression', linear_model.LinearRegression())
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,('rf', RandomForestClassifier())
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])
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# fit pipeline to TRAINING data [X_train and y_train]
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pipe1.fit(X_train, y_train)
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pipe2.fit(X_train, y_train)
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# model prediction on TEST data [X_test and y_test]
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print(accuracy_score(y_test, pipe1.predict(X_test)))
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print(accuracy_score(y_test, pipe2.predict(X_test)))
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print(pipe2.classification_report (y_test, np.argmax(predicted, axis = 1)))
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enc = preprocessing.OneHotEncoder()
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enc.fit(X_train)
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enc.transform(X_train).toarray()
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4917
test_data/pnca_merged_df2.csv
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test_data/pnca_merged_df2.csv
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File diff suppressed because it is too large
Load diff
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test_data/pnca_merged_df3.csv
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test_data/pnca_merged_df3.csv
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"mutationinformation","lineage_labels","ligand_id","wild_type","wild_pos","position","mutant_type","pyrazinamide","drtype","mutation_info_labels","wt_prop_water","mut_prop_water","wt_prop_polarity","mut_prop_polarity","wt_calcprop","mut_calcprop","ligand_distance","ligand_affinity_change","duet_stability_change","ddg_foldx","deepddg","ddg_dynamut2","snap2_score","snap2_accuracy_pc","consurf_score","consurf_colour","consurf_colour_rev","asa","rsa","ss_class","kd_values","rd_values","af","or_mychisq","or_logistic","or_fisher","est_chisq","contacts","electro_rr","electro_mm","electro_sm","electro_ss","disulfide_rr","disulfide_mm","disulfide_sm","disulfide_ss","hbonds_rr","hbonds_mm","hbonds_sm","hbonds_ss","partcov_rr","partcov_mm","partcov_sm","partcov_ss","vdwclashes_rr","vdwclashes_mm","vdwclashes_sm","vdwclashes_ss","volumetric_rr","volumetric_mm","volumetric_sm","volumetric_ss","affinity_scaled","duet_scaled","foldx_scaled","deepddg_scaled","ddg_dynamut2_scaled","snap2_scaled","consurf_scaled","ligand_outcome","duet_outcome","foldx_outcome","deepddg_outcome","ddg_dynamut2_outcome","snap2_outcome","consurf_ci_upper","consurf_ci_lower","consurf_ci_colour","consurf_msa_data","consurf_aa_variety","beta_logistic","pval_logistic","se_logistic","zval_logistic","ci_low_logistic","ci_hi_logistic","log10_or_mychisq","pval_fisher","neglog_pval_fisher","ci_low_fisher","ci_hi_fisher","pval_chisq","lineage","mutation_info","mut_3upper","seq_offset4pdb","id","sample","sublineage","country_code","geographic_source","mutation","chain","ss","wt_3upper","wild_chain_pos","pdb_file"
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"M1I","L4","PZA","M","M1",1,"I",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",23.978,-0.294,-0.347,-0.0549615,-0.407,-0.79,7,53,-1.048,9,9,88,0.392857142857143,"loop",0.633333333333333,4.12,0.0001437401178668,1.2119588062211,4.59700131334276e-05,0,1.01056822389159e-25,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-3,-3,0,0,0,0,-0.0744680851063829,-0.0896640826873385,-0.0105670806736907,-0.0693947144075021,-0.206806282722513,0.0736842105263158,-0.86326194398682,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.178,-0.993,"9:9","21/150","V:M",-9.98752126245056,0.942832958100734,139.277183325397,-0.0717096729269464,NA,144471.706314837,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage4","other_mutations_pyrazinamide","ILE",0,"SAMN07236323,SRR5709866","SRR5709866","lineage4.4.2","th","Thailand","pnca_p.met1ile","A","-","MET","MA1","pnca_complex.pdb"
|
||||
"M1K","L3","PZA","M","M1",1,"K",0,"MDR","OM","hydrophobic","hydrophobic","non-polar","basic","non-polar","pos",23.978,0.215,0.296,0.0794895,-1.017,-0.34,70,85,-1.048,9,9,88,0.392857142857143,"loop",0.633333333333333,4.12,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-6,-2,0,0,-18,0,0,0,0,0,0,0,-2,0,0,0,0,-1,0,-1,-1,0,0,0,0,0.0964125560538116,0.251700680272109,0.00289518061757443,-0.173401534526854,-0.0890052356020942,0.736842105263158,-0.86326194398682,"Stabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-0.993,"9:9","21/150","V:M",-8.98740878149642,0.940032862253633,119.468044435492,-0.0752285585987748,NA,4692673.51081395,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","other_mutations_pyrazinamide","LYS",0,"ERR2510542","ERR2510542","lineage3","pk","Pakistan","pnca_p.met1lys","A","-","MET","MA1","pnca_complex.pdb"
|
||||
"M1R","L2","PZA","M","M1",1,"R",NA,"MDR","OM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",23.978,-0.16,0.694,-0.00977971,-0.78,1.21,44,71,-1.048,9,9,88,0.392857142857143,"loop",0.633333333333333,4.12,NA,NA,NA,NA,NA,-14,0,0,0,-20,0,0,0,0,-2,0,-2,0,0,0,0,0,1,0,-1,1,0,0,-2,-2,-0.0405268490374873,0.590136054421769,-0.00188027955087288,-0.132992327365729,0.679775280898876,0.463157894736842,-0.86326194398682,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-1.178,-0.993,"9:9","21/150","V:M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","ARG",0,"SRR5073787","SRR5073787","lineage2.2.1","vn","Vietnam","pnca_p.met1arg","A","-","MET","MA1","pnca_complex.pdb"
|
||||
"M1T","L4","PZA","M","M1",1,"T",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",23.978,0.344,0.109,0.867771,-1.096,0.51,52,75,-1.048,9,9,88,0.392857142857143,"loop",0.633333333333333,4.12,0.0007187005893344,97.3828619670747,1395803.74890195,Inf,42.8452490786805,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0.154260089686099,0.0926870748299319,0.031606108727482,-0.186871270247229,0.286516853932584,0.547368421052632,-0.86326194398682,"Stabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.178,-0.993,"9:9","21/150","V:M",14.1489809714062,0.890414731995374,102.692976014008,0.137779442378573,507.712885368923,NA,1.98848253379833,2.1018584548314e-08,7.67739653395739,10.9022485555592,Inf,5.92457926729285e-11,"lineage4","dr_mutations_pyrazinamide","THR",0,"ERR2515926","ERR2515926","lineage4.8","za","South Africa","pnca_p.met1thr","A","-","MET","MA1","pnca_complex.pdb"
|
||||
"R2L","L4","PZA","R","R2",2,"L",0,"Pre-XDR","OM","hydrophilic","hydrophobic","basic","non-polar","pos","non-polar",21.092,-2.083,0.062,1.78755,-0.708,-0.24,44,71,-0.015,5,5,55,0.200729927007299,"strand",-0.266666666666667,4.74,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,38,30,0,4,26,0,0,0,0,4,0,2,2,0,0,0,0,1,0,-2,2,0,0,0,-2,-0.527608915906788,0.0527210884353741,0.0651064620225963,-0.120716112531969,-0.06282722513089,0.463157894736842,-0.0123558484349259,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","84/150","R:K:N:H:T:S:E",-8.9874087814964,0.940032862253633,119.46804443549,-0.0752285585987755,NA,4692673.51081259,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","LEU",0,"ERR2516706","ERR2516706","lineage4","pe","Peru","pnca_p.arg2leu","A","E","ARG","RA2","pnca_complex.pdb"
|
||||
"R2P","L4","PZA","R","R2",2,"P",NA,"MDR","OM","hydrophilic","hydrophilic","basic","non-polar","pos","non-polar",21.092,-2.244,-1.031,4.20376,-1.935,-0.43,63,80,-0.015,5,5,55,0.200729927007299,"strand",-0.266666666666667,4.74,NA,NA,NA,NA,NA,48,28,0,4,24,0,0,0,0,2,0,4,0,0,0,0,0,4,2,1,1,4,0,6,0,-0.56838905775076,-0.26640826873385,0.153110089671399,-0.329923273657289,-0.112565445026178,0.663157894736842,-0.0123558484349259,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","84/150","R:K:N:H:T:S:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","PRO",0,"ERR779907","ERR779907","lineage4.3.3","pe","","pnca_p.arg2pro","A","E","ARG","RA2","pnca_complex.pdb"
|
||||
"R2W","L4","PZA","R","R2",2,"W",NA,"Pre-XDR","OM","hydrophilic","hydrophobic","basic","non-polar","pos","non-polar",21.092,-1.147,-0.164,4.38565,-0.74,-0.16,58,75,-0.015,5,5,55,0.200729927007299,"strand",-0.266666666666667,4.74,NA,NA,NA,NA,NA,8,30,0,4,26,0,0,0,0,4,0,2,2,0,0,0,0,0,0,-5,5,6,0,6,4,-0.290526849037487,-0.0423772609819121,0.159734919397723,-0.12617220801364,-0.0418848167539267,0.610526315789474,-0.0123558484349259,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","84/150","R:K:N:H:T:S:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","TRP",0,"SAMN02584674","SRR1168960_SRR1166135","lineage4.2.1","md","Moldova","pnca_p.arg2trp","A","E","ARG","RA2","pnca_complex.pdb"
|
||||
"A3E","L2","PZA","A","A3",3,"E",1,"MDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",18.028,-1.552,-2.829,2.75936,-5.34,-1.11,56,75,-0.873,8,8,0,0,"strand",0.366666666666667,8.38,0.0002874802357337,38.8547368421053,1392277.50785087,Inf,13.9909822352959,-30,-38,0,-2,-36,0,0,0,0,0,0,0,0,0,0,0,0,-13,0,-3,-14,-4,0,-2,-9,-0.393110435663627,-0.731007751937984,0.100501897595408,-0.910485933503836,-0.290575916230366,0.589473684210526,-0.719110378912685,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","141/150","A:G:T:V:C",14.1464514590954,0.930573112990226,162.371849599086,0.0871237932808215,0.011399544335555,NA,1.58944397188817,0.0008528275207519,3.06913879340442,3.20302487654751,Inf,0.0001836895199759,"lineage2","dr_mutations_pyrazinamide","GLU",0,"MDR_17174","SRR6824459","lineage2.2.1","cn","China: Ma City, Huanggang City,Hubei Province","pnca_p.ala3glu","A","E","ALA","AA3","pnca_complex.pdb"
|
||||
"A3P","L4","PZA","A","A3",3,"P",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",18.028,-2.664,-1.124,-0.155697,-3.837,-0.13,66,80,-0.873,8,8,0,0,"strand",0.366666666666667,8.38,7.18700589334483e-05,9.70142977291842,188179.926264599,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-7,2,-7,-4,-2,0,-2,-1,-0.674772036474164,-0.290439276485788,-0.0299348227332154,-0.654219948849105,-0.0340314136125654,0.694736842105263,-0.719110378912685,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","141/150","A:G:T:V:C",12.1451538387263,0.919026337424228,119.468044436222,0.101660271548263,5.01153666063644e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","PRO",0,"3200","ERR2432999","lineage4.1.2.1","br","Brazil","pnca_p.ala3pro","A","E","ALA","AA3","pnca_complex.pdb"
|
||||
"L4S","L2","PZA","L","L4",4,"S",1,"MDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",15.328,-1.078,-3.87,5.57838,-2.638,-3.7,63,80,-1.075,9,9,0,0,"strand",3.36666666666667,8.8,0.0024435820037372,28.4570212765957,28.4570177059942,28.4308865607855,107.057952768928,22,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-3,0,-1,-2,6,0,4,6,-0.273049645390071,-1,0.203176742254824,-0.449786871270247,-0.968586387434555,0.663157894736842,-0.885502471169687,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.152,-1.028,"9:9","146/150","F:V:L:I",3.34839479820379,4.89069202996555e-12,0.484662577645081,6.90871330415739,12.0071584873314,83.7151686983107,1.4541894385859,5.6263316435115e-18,17.2497746719749,10.8739157094292,94.2522723934353,4.32340113554558e-25,"lineage2","dr_mutations_pyrazinamide","SER",0,"ERR2516880","ERR2516880","lineage2.2.1","gb","UK","pnca_p.leu4ser","A","E","LEU","LA4","pnca_complex.pdb"
|
||||
"L4V","L6","PZA","L","L4",4,"V",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.328,-2.828,-1.717,1.19624,-1.68,-1.95,22,63,-1.075,9,9,0,0,"strand",3.36666666666667,8.8,NA,NA,NA,NA,NA,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-1,-2,2,0,0,0,-0.716312056737589,-0.443669250645995,0.043569664697441,-0.286445012787724,-0.510471204188482,0.231578947368421,-0.885502471169687,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.152,-1.028,"9:9","146/150","F:V:L:I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage6","other_mutations_pyrazinamide","VAL",0,"ERR1215461","ERR1215461","lineage6","gh","Ghana","pnca_p.leu4val","A","E","LEU","LA4","pnca_complex.pdb"
|
||||
"L4W","L2","PZA","L","L4",4,"W",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.328,-2.216,-2.169,1.63111,-2.168,-1.93,70,85,-1.075,9,9,0,0,"strand",3.36666666666667,8.8,0.0012217910018686,22.7551797040169,22.7551786098964,22.7463684762183,46.6274188614457,-46,6,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,-15,0,-7,-8,0,0,-16,2,-0.5612968591692,-0.56046511627907,0.0594085766941776,-0.369650468883205,-0.505235602094241,0.736842105263158,-0.885502471169687,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.152,-1.028,"9:9","146/150","F:V:L:I",3.12479275069714,9.15103299018708e-07,0.636534850451638,4.90906782005734,7.42096527532349,98.7712876576624,1.35708026960092,7.15795820641824e-09,8.14521084167875,6.3414443600848,123.179124931302,8.58505795592483e-12,"lineage2","dr_mutations_pyrazinamide","TRP",0,"ERR3275831","ERR3275831","lineage2.2.1","nl","Netherlands","pnca_p.leu4trp","A","E","LEU","LA4","pnca_complex.pdb"
|
||||
"I5S","L4","PZA","I","I5",5,"S",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",11.437,-0.778,-3.843,5.83176,-3.518,-3.58,63,80,-0.011,5,5,0,0,"strand",4.26666666666667,12.6,7.18700589334483e-05,9.70142977291842,188179.92626441,Inf,0.763784339928386,30,0,0,0,0,0,0,0,0,0,0,-4,0,0,0,0,0,4,0,2,2,0,0,4,0,-0.197061803444782,-0.993023255813954,0.212405393395931,-0.599829497016198,-0.93717277486911,0.663157894736842,-0.00906095551894563,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","146/150","G:F:I:L:V",12.1451538387253,0.919026337424193,119.46804443616,0.101660271548307,5.0115366606943e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR2179669","ERR2179669","lineage4.4","cn","China","pnca_p.ile5ser","A","E","ILE","IA5","pnca_complex.pdb"
|
||||
"I5T","L1","PZA","I","I5",5,"T",1,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",11.437,-0.945,-3.43,3.67776,-2.709,-3.3,63,80,-0.011,5,5,0,0,"strand",4.26666666666667,12.6,0.0002874802357337,14.5631313131313,14.5630810302278,14.5631012253236,5.81873994206135,32,0,0,0,0,0,0,0,0,0,0,-4,0,0,0,0,0,4,0,2,2,0,0,4,0,-0.23936170212766,-0.886304909560723,0.133952024708805,-0.461892583120205,-0.863874345549738,0.663157894736842,-0.00906095551894563,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","146/150","G:F:I:L:V",2.67848962960141,0.0202679102821362,1.15384949648317,2.3213509541454,1.86363317860697,294.488177946116,1.16325476548539,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,0.0158563003544608,"lineage1","dr_mutations_pyrazinamide","THR",0,"ERR2510512","ERR2510512","lineage1.2.2","pk","Pakistan","pnca_p.ile5thr","A","E","ILE","IA5","pnca_complex.pdb"
|
||||
"I6L","L2","PZA","I","I6",6,"L",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",9.258,-3.018,-0.548,0.267883,-1.616,-0.58,5,53,-0.6,7,7,1,0.0050761421319796,"strand",4.4,11.36,0.0097024579560155,0.385310257492613,0.385311080310026,0.385326683377145,8.35414540919546,-6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-7,0,-2,-5,2,0,-2,-2,-0.764437689969605,-0.141602067183462,0.00975688197029407,-0.275532821824382,-0.151832460732984,0.0526315789473684,-0.494233937397035,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.553,"8:7","146/150","M:A:I:L:V",-0.953704270146009,0.0037560422096937,0.329095586242593,-2.89795521427317,0.189089468462042,0.697385389891155,-0.414189429312607,0.0017355697972772,2.76055791615401,0.180049643960023,0.733980750878148,0.0038480840706912,"lineage2","other_mutations_pyrazinamide","LEU",0,"ERR067611,0341X-sc-2011-09-07T13:19:07Z-1276458","ERR067611","lineage2.2.1","ru","Russia","pnca_p.ile6leu","A","E","ILE","IA6","pnca_complex.pdb"
|
||||
"I6M","L4","PZA","I","I6",6,"M",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",9.258,-3.085,-1.021,0.24349,-2.364,0.14,10,59,-0.6,7,7,1,0.0050761421319796,"strand",4.4,11.36,NA,NA,NA,NA,NA,-32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,0,-3,-2,0,-4,-2,-0.781408308004053,-0.263824289405685,0.00886843581319794,-0.40306905370844,0.0786516853932584,0.105263157894737,-0.494233937397035,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.728,-0.553,"8:7","146/150","M:A:I:L:V",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","MET",0,"ERR1555057","ERR1555057","lineage4.3.3","","","pnca_p.ile6met","A","E","ILE","IA6","pnca_complex.pdb"
|
||||
"I6S","L2","PZA","I","I6",6,"S",1,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",9.258,-1.047,-3.585,6.01751,-4.149,-3.42,64,80,-0.6,7,7,1,0.0050761421319796,"strand",4.4,11.36,0.0001437401178668,19.411022297013,511754.463552573,Inf,4.73122070382274,24,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-1,0,-1,0,2,0,4,0,-0.265197568389058,-0.926356589147287,0.219170812724452,-0.707416879795396,-0.895287958115183,0.673684210526316,-0.494233937397035,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.553,"8:7","146/150","M:A:I:L:V",13.1456002256205,0.924803768446996,139.277183326562,0.094384449136928,0.0001628371344453,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","SER",0,"ERR2516977","ERR2516977","lineage2.2.1","gb","UK","pnca_p.ile6ser","A","E","ILE","IA6","pnca_complex.pdb"
|
||||
"I6T","L2","PZA","I","I6",6,"T",1,"XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",9.258,-1.244,-3.089,3.71452,-3.589,-3.14,62,80,-0.6,7,7,1,0.0050761421319796,"strand",4.4,11.36,0.000646830530401,87.6075949367089,1395214.80217275,Inf,38.0099632572142,24,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-1,0,-1,0,2,0,0,0,-0.315096251266464,-0.798191214470284,0.135290903925582,-0.611935208866155,-0.821989528795812,0.652631578947368,-0.494233937397035,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.553,"8:7","146/150","M:A:I:L:V",14.148558941436,0.896008552350165,108.247901039825,0.130705157379733,226.474535586036,NA,1.94254175795031,1.23317897951184e-07,6.90897388676731,9.59561062779463,Inf,7.038428913028e-10,"lineage2","dr_mutations_pyrazinamide","THR",0,"ERR2510686","ERR2510686","lineage2.2.1","it","Italy","pnca_p.ile6thr","A","E","ILE","IA6","pnca_complex.pdb"
|
||||
"I6V","L1","PZA","I","I6",6,"V",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",9.258,-2.761,-1.528,1.33147,-1.511,-1.35,-86,93,-0.6,7,7,1,0.0050761421319796,"strand",4.4,11.36,NA,NA,NA,NA,NA,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,2,0,2,0,-0.699341438703141,-0.394832041343669,0.048495035657311,-0.257630008525149,-0.353403141361257,-0.924731182795699,-0.494233937397035,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.728,-0.553,"8:7","146/150","M:A:I:L:V",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","VAL",0,"SAMN02599161","SRR1173036_SRR1172709","lineage1.1.3","in","India","pnca_p.ile6val","A","E","ILE","IA6","pnca_complex.pdb"
|
||||
"V7A","L4","PZA","V","V7",7,"A",NA,"Other","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.336,-0.97,-2.592,3.42668,-3.043,-1.9,64,80,-0.66,7,7,0,0,"strand",1.73333333333333,11.02,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,2,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,5,0,3,2,4,0,6,3,-0.245694022289767,-0.669767441860465,0.124807144574188,-0.518840579710145,-0.49738219895288,0.673684210526316,-0.543657331136738,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","146/150","V:I:A",-8.98740878149641,0.940032862253633,119.468044435491,-0.075228558598775,NA,4692673.51081185,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","ALA",0,"ERR2229336","ERR2229336","lineage4.8","dk","","pnca_p.val7ala","A","E","VAL","VA7","pnca_complex.pdb"
|
||||
"V7F","L2","PZA","V","V7",7,"F",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.336,0.042,-1.877,4.86315,-2.949,-1.55,83,91,-0.66,7,7,0,0,"strand",1.73333333333333,11.02,0.0002156101768003,9.70466975178797,9.70465898653049,9.70194990589383,2.29168245016684,-54,-2,0,0,-2,0,0,0,0,0,0,-2,0,0,0,0,0,-3,0,1,-4,-8,0,-6,-4,0.0188340807174887,-0.485012919896641,0.177126508788671,-0.502813299232737,-0.405759162303665,0.873684210526316,-0.543657331136738,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","146/150","V:I:A",2.27260607808817,0.06344559022609,1.22442760158496,1.8560559033024,0.929172866365903,208.881603004777,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage2","dr_mutations_pyrazinamide","PHE",0,"ERR2510561","ERR2510561","lineage2.2.1","pk","Pakistan","pnca_p.val7phe","A","E","VAL","VA7","pnca_complex.pdb"
|
||||
"V7G","L2","PZA","V","V7",7,"G",NA,"XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",5.336,-1.062,-3.114,5.26226,-4.33,-2.58,86,91,-0.66,7,7,0,0,"strand",1.73333333333333,11.02,0.001293661060802,39.0452814219213,39.0452813634446,39.0430804499264,60.5607562088978,12,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,3,0,1,2,8,0,11,21,-0.268996960486322,-0.804651162790698,0.191662963745365,-0.738277919863598,-0.675392670157068,0.905263157894737,-0.543657331136738,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","146/150","V:I:A",3.6647220332212,1.03849290922087e-06,0.750321763717271,4.88420063289289,11.103639297077,247.090478887866,1.59156855738766,5.52264644232101e-11,10.2578527592503,9.16748833639401,349.97982252054,7.13421964779937e-15,"lineage2","dr_mutations_pyrazinamide","GLY",0,"SAMN02628499","SRR1172711_SRR1173722","lineage2.2.1","ir","Iran","pnca_p.val7gly","A","E","VAL","VA7","pnca_complex.pdb"
|
||||
"V7I","L4","PZA","V","V7",7,"I",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.336,-0.635,-0.898,-1.10338,-0.738,-0.73,46,71,-0.66,7,7,0,0,"strand",1.73333333333333,11.02,NA,NA,NA,NA,NA,-24,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-4,0,2,-7,0,0,2,-2,-0.160840932117528,-0.232041343669251,-0.212139506267784,-0.125831202046036,-0.19109947643979,0.484210526315789,-0.543657331136738,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","146/150","V:I:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","ILE",0,"SAMN02586003","SRR1196479_SRR1175056_SRR1184351_SRR1172851","lineage4.3.4.2","za","South Africa","pnca_p.val7ile","A","E","VAL","VA7","pnca_complex.pdb"
|
||||
"V7L","L4","PZA","V","V7",7,"L",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.336,-0.589,-1.137,-0.847275,-2.289,-0.99,83,91,-0.66,7,7,0,0,"strand",1.73333333333333,11.02,0.0009343107661348,10.9471518987342,10.9471289278841,10.9440461901209,21.4040928993518,-26,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-3,0,1,-4,-2,0,-2,2,-0.14918946301925,-0.293798449612403,-0.162899907713605,-0.390281329923274,-0.259162303664921,0.873684210526316,-0.543657331136738,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","146/150","V:I:A",2.39307722351576,6.83262964849249e-05,0.600967660910521,3.98203993188257,3.56185012264106,40.4315613280321,1.03930114423982,4.53835196843674e-05,4.34310182576657,3.05117591386949,48.6969925271007,3.71976276752962e-06,"lineage4","dr_mutations_pyrazinamide","LEU",0,"140603921,SAMN05276312","SRR3675218","lineage4.1.1.3","gb","UK","pnca_p.val7leu","A","E","VAL","VA7","pnca_complex.pdb"
|
||||
"D8A","L2","PZA","D","D8",8,"A",NA,"Pre-XDR","DM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",3.22,-3.268,-0.511,0.541028,-1.125,0.4,87,91,-1.187,9,9,5,0.0259067357512953,"loop",1.63333333333333,9.48,0.0001437401178668,19.411022297013,511754.463552623,Inf,4.73122070382274,26,36,0,0,36,0,0,0,0,0,0,0,4,0,0,0,0,-5,0,-4,-1,0,0,6,1,-0.827760891590679,-0.132041343669251,0.0197054174345676,-0.191815856777494,0.224719101123595,0.91578947368421,-0.977759472817133,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.178,"9:9","146/150","D:H",13.1456002256206,0.924803768447001,139.277183326572,0.094384449136922,0.0001628371344451,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","ALA",0,"SRR5709862,SAMN07236319","SRR5709862","lineage2.2.1","th","Thailand","pnca_p.asp8ala","A","-","ASP","DA8","pnca_complex.pdb"
|
||||
"D8E","L4","PZA","D","D8",8,"E",NA,"Pre-XDR","DM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",3.22,0.012,-0.786,1.90122,-1.417,-0.4,90,95,-1.187,9,9,5,0.0259067357512953,"loop",1.63333333333333,9.48,0.0002874802357337,14.5631313131313,14.5630810302278,14.5631012253236,5.81873994206135,-24,-28,0,0,-28,0,0,0,0,-2,0,-2,0,0,0,0,0,2,0,2,-1,-8,0,-10,-6,0.0053811659192825,-0.203100775193798,0.0692465708520604,-0.241602728047741,-0.104712041884817,0.947368421052632,-0.977759472817133,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","146/150","D:H",2.67848962960141,0.0202679102821361,1.15384949648317,2.3213509541454,1.86363317860697,294.488177945815,1.16325476548539,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,0.0158563003544608,"lineage4","dr_mutations_pyrazinamide","GLU",0,"ERR2510171","ERR2510171","lineage4","pe","Peru","pnca_p.asp8glu","A","-","ASP","DA8","pnca_complex.pdb"
|
||||
"D8G","L2;L4","PZA","D","D8",8,"G",NA,"MDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",3.22,-3.445,-0.851,1.89305,-1.078,-0.82,92,95,-1.187,9,9,5,0.0259067357512953,"loop",1.63333333333333,9.48,0.0007905706482679,48.6872097931617,48.6872048041474,48.6746878162623,37.2619168572472,34,38,0,0,38,0,0,0,0,0,0,0,0,0,0,0,0,-8,-1,-3,-5,6,0,9,17,-0.872593718338399,-0.219896640826873,0.0689490016681357,-0.183802216538789,-0.214659685863874,0.968421052631579,-0.977759472817133,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","146/150","D:H",3.88541626053988,0.0002118075877291,1.0488367141091,3.70450062271154,9.3197738725557,893.78337229237,1.68741488635211,1.95392414212297e-07,6.70909230105579,6.91781679568266,2088.84994220519,1.03281930722422e-09,"lineage2;lineage4","dr_mutations_pyrazinamide","GLY",0,"SRR5818641","SRR5818641","lineage4;lineage2.2.1","dj","Djibouti","pnca_p.asp8gly","A","-","ASP","DA8","pnca_complex.pdb"
|
||||
"D8N","L2","PZA","D","D8",8,"N",NA,"MDR","DM","hydrophilic","hydrophilic","acidic","neutral","neg","polar",3.22,-1.655,-1.182,-1.26057,-1.022,-1.29,92,95,-1.187,9,9,5,0.0259067357512953,"loop",1.63333333333333,9.48,0.0005030904125341,29.1630847029077,29.1630732435187,29.1293325978315,18.6717493808583,0,34,0,0,34,0,0,0,0,-4,0,-2,-2,0,0,0,0,-7,0,-5,-4,0,0,-4,2,-0.41919959473151,-0.305426356589147,-0.242361378143505,-0.174254049445865,-0.337696335078534,0.968421052631579,-0.977759472817133,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","146/150","D:H",3.37290329402598,0.001789077082818,1.07995768762031,3.12318096596746,4.97876379054103,550.894323519252,1.46483345924118,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,1.55265977742841e-05,"lineage2","dr_mutations_pyrazinamide","ASN",0,"ERR2515173","ERR2515173","lineage2.2.1","za","South Africa","pnca_p.asp8asn","A","-","ASP","DA8","pnca_complex.pdb"
|
||||
"V9A","L2","PZA","V","V9",9,"A",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",6.555,-1.286,-2.467,2.03689,-2.068,-2.01,61,80,-0.711,8,8,0,0,"loop",-0.933333333333333,9.57,0.0002156101768003,0.807902480033628,4.59660271789382e-05,0,0.000393645565148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,6,0,6,5,-0.325734549138804,-0.637467700258398,0.0741879675696938,-0.352600170502984,-0.526178010471204,0.642105263157895,-0.585667215815486,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.827,-0.615,"8:7","146/150","I:C:L:V:M",-9.98760797391819,0.930014323968985,113.719344729607,-0.0878268160765962,NA,127.948735098955,-0.0926410587047397,1,0,0,11.7369754738005,0.984170607395186,"lineage2","dr_mutations_pyrazinamide","ALA",0,"SRS797047","SRR1723549","lineage2.2.1","cn","China:Hebei","pnca_p.val9ala","A","-","VAL","VA9","pnca_complex.pdb"
|
||||
"V9G","L3","PZA","V","V9",9,"G",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",6.555,-1.063,-3.236,3.70952,-3.636,-3.48,83,91,-0.711,8,8,0,0,"loop",-0.933333333333333,9.57,0.0003593502946672,19.4256842105263,19.4256680571767,19.4169790983636,9.87561363723508,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,-2,4,0,3,21,-0.269250253292806,-0.836175710594315,0.135108793041907,-0.619948849104859,-0.910994764397906,0.873684210526316,-0.585667215815486,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.827,-0.615,"8:7","146/150","I:C:L:V:M",2.96659528728018,0.0079500503166053,1.11770528264822,2.65418382943607,2.87215213651501,380.097158975938,1.28837632444196,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,0.0016748373055023,"lineage3","dr_mutations_pyrazinamide","GLY",0,"ERR2510586","ERR2510586","lineage3","pk","Pakistan","pnca_p.val9gly","A","-","VAL","VA9","pnca_complex.pdb"
|
||||
"Q10E","L2","PZA","Q","Q10",10,"E",NA,"XDR","OM","hydrophilic","hydrophilic","neutral","acidic","polar","neg",6.02,-0.537,-2.051,3.84692,-1.976,-0.13,88,91,-1.214,9,9,0,0,"strand",-0.933333333333333,8.14,NA,NA,NA,NA,NA,0,-56,0,0,-56,0,0,0,0,0,0,2,-2,0,0,0,0,-4,0,-6,1,0,0,0,4,-0.136018237082067,-0.529974160206718,0.140113200125292,-0.33691389599318,-0.0340314136125654,0.926315789473684,-1,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","GLU",0,"DRR184878","DRR184878","lineage2.2.1","vn","Vietnam","pnca_p.gln10glu","A","B","GLN","QA10","pnca_complex.pdb"
|
||||
"Q10H","L4","PZA","Q","Q10",10,"H",1,"MDR","DM","hydrophilic","hydrophobic","neutral","basic","polar","pos",6.02,-0.636,-1.024,3.94633,-1.814,-0.97,91,95,-1.214,9,9,0,0,"strand",-0.933333333333333,8.14,0.0007905706482679,107.166385135135,3795803.48336072,Inf,47.6847963834956,4,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-11,0,-8,-3,0,0,2,2,-0.161094224924012,-0.264599483204134,0.143733928714516,-0.309292412617221,-0.253926701570681,0.957894736842105,-1,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","Q",15.1494066679727,0.925233417916174,161.432542878774,0.0938435732834176,24.1993753469043,NA,2.03005858162844,3.58120158191569e-09,8.44597123233921,12.2081619622864,Inf,5.00558510128865e-12,"lineage4","dr_mutations_pyrazinamide","HIS",0,"436","ERR3014581","lineage4.1.2.1","tn","Tunisia:Bizerte","pnca_p.gln10his","A","B","GLN","QA10","pnca_complex.pdb"
|
||||
"Q10L","L4","PZA","Q","Q10",10,"L",NA,"Pre-XDR","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",6.02,-1.694,0.641,0.169275,-0.188,0.05,91,95,-1.214,9,9,0,0,"strand",-0.933333333333333,8.14,NA,NA,NA,NA,NA,20,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,-3,0,-3,-3,2,0,6,4,-0.429078014184397,0.545068027210884,0.00616536396681211,-0.0320545609548167,0.0280898876404494,0.957894736842105,-1,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.229,-1.201,"9:9","147/150","Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","LEU",0,"SAMN02567710","SRR1166324","lineage4.1.2.1","ro","Romania","pnca_p.gln10leu","A","B","GLN","QA10","pnca_complex.pdb"
|
||||
"Q10P","L4","PZA","Q","Q10",10,"P",1,"Pre-XDR","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",6.02,-1.771,-0.631,6.78299,-2.963,-0.11,95,95,-1.214,9,9,0,0,"strand",-0.933333333333333,8.14,0.0211297973264338,156.233890214797,156.233722233267,156.382472756358,1333.51093453962,38,-2,0,0,-2,0,0,0,0,6,2,4,0,0,0,0,0,-8,2,-6,-4,0,0,2,0,-0.448581560283688,-0.163049095607235,0.247051260571537,-0.505200341005968,-0.0287958115183246,1,-1,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","Q",5.05135310548255,2.49562215648785e-55,0.322395320006857,15.6681961306855,87.7376148601903,314.979076956589,2.19377524680641,1.27822918710216e-207,206.893391269988,83.6783303393677,330.782028899935,5.90060424845557e-292,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR760750","ERR760750","lineage4.1.2.1","ar","Argentina","pnca_p.gln10pro","A","B","GLN","QA10","pnca_complex.pdb"
|
||||
"Q10R","L4","PZA","Q","Q10",10,"R",NA,"MDR","DM","hydrophilic","hydrophilic","neutral","basic","polar","pos",6.02,-0.833,-1.078,8.55341,-2.07,-0.42,94,95,-1.214,9,9,0,0,"strand",-0.933333333333333,8.14,0.001293661060802,83.0135478408129,83.0096797665738,82.9817212776157,70.7034697627924,-48,-32,0,0,-32,0,0,0,0,2,0,2,0,0,0,0,0,-5,0,-5,-5,0,0,6,-4,-0.210992907801418,-0.278552971576227,0.311533810706663,-0.352941176470588,-0.109947643979058,0.989473684210526,-1,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","Q",4.41895722469024,1.61039699449321e-05,1.02456224249978,4.31301978678098,17.0476857395373,1496.24228456829,1.91914897517566,1.31421065040623e-12,11.8813350175945,12.9924324330291,3402.15298704802,4.15161653132659e-17,"lineage4","dr_mutations_pyrazinamide","ARG",0,"SRR3732721","SRR3732721","lineage4.3.3","pe","Peru","pnca_p.gln10arg","A","B","GLN","QA10","pnca_complex.pdb"
|
||||
"N11S","L3","PZA","N","N11",11,"S",0,"Sensitive","OM","hydrophilic","hydrophilic","neutral","neutral","polar","polar",9.599,-1.515,0.315,2.58536,-1.389,0.57,69,80,-0.682,8,8,42,0.215384615384615,"helix",-3.5,4.28,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,4,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-2,0,0,-2,0,0,-2,0,-0.383738601823708,0.267857142857143,0.094164438843523,-0.236828644501279,0.320224719101123,0.726315789473684,-0.561779242174629,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.827,-0.615,"8:7","147/150","T:P:L:N:V:I:R:K:Y:E:H:Q",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987755,NA,4692673.51081015,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","other_mutations_pyrazinamide","SER",0,"ERR2513021","ERR2513021","lineage3","gb","UK","pnca_p.asn11ser","A","G","ASN","NA11","pnca_complex.pdb"
|
||||
"D12A","L4","PZA","D","D12",12,"A",NA,"MDR","DM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",7.825,-2.924,0.904,0.896575,-1.267,1.36,64,80,-1.058,9,9,22,0.113989637305699,"helix",-1.4,5.01,0.0017967514733362,5.2760989010989,5.27609886875925,5.2752786493537,19.1276037177328,14,16,0,0,16,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,4,0,6,3,-0.740628166160081,0.768707482993197,0.0326552131061561,-0.216027280477408,0.764044943820225,0.673684210526316,-0.871499176276771,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.124,-1.028,"9:9","147/150","C:D:T:G",1.66318697401976,3.35314758209503e-05,0.400956055116994,4.14805301676878,2.39021356042842,11.7435962131774,0.722312927852139,6.93631068428177e-05,4.15887146261268,2.21601547098056,12.6651520546836,1.22263744860911e-05,"lineage4","dr_mutations_pyrazinamide","ALA",0,"ERR2707093","ERR2707093","lineage4.3.2","cd","Democratic Republic of Congo","pnca_p.asp12ala","A","G","ASP","DA12","pnca_complex.pdb"
|
||||
"D12E","L2","PZA","D","D12",12,"E",NA,"MDR","DM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",7.825,-0.42,-0.21,2.1586,-2.035,-0.02,69,80,-1.058,9,9,22,0.113989637305699,"helix",-1.4,5.01,0.0005749604714675,34.0379426644182,34.0375872334386,34.0436365315203,23.2409378193551,-8,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-3,0,-3,-2,0,0,0,0,-0.106382978723404,-0.0542635658914728,0.0786209107001071,-0.346973572037511,-0.0052356020942408,0.726315789473684,-0.871499176276771,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-1.028,"9:9","147/150","C:D:T:G",3.52746542085928,0.0009482725856347,1.06716956280854,3.30544043214259,6.05331233477717,636.464952477748,1.53196330239691,2.88610345466244e-05,4.53968810533409,4.36820226973726,1521.29182901896,1.42922316872435e-06,"lineage2","dr_mutations_pyrazinamide","GLU",0,"ERR234215","ERR234215","lineage2.2.1","mn","Mongolia","pnca_p.asp12glu","A","G","ASP","DA12","pnca_complex.pdb"
|
||||
"D12G","L4","PZA","D","D12",12,"G",1,"Pre-XDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",7.825,-3.008,0.079,2.26095,-1.546,0.46,67,80,-1.058,9,9,22,0.113989637305699,"helix",-1.4,5.01,0.0005030904125341,29.1630847029077,29.1630732435187,29.1293325978315,18.6717493808583,20,16,0,0,16,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,6,0,15,17,-0.761904761904762,0.0671768707482993,0.0823487204889313,-0.263597612958227,0.258426966292135,0.705263157894737,-0.871499176276771,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.124,-1.028,"9:9","147/150","C:D:T:G",3.37290329402598,0.001789077082818,1.07995768762031,3.12318096596747,4.97876379053956,550.894323519286,1.46483345924118,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,1.55265977742841e-05,"lineage4","dr_mutations_pyrazinamide","GLY",0,"ERR2516704","ERR2516704","lineage4.3.2","pe","Peru","pnca_p.asp12gly","A","G","ASP","DA12","pnca_complex.pdb"
|
||||
"D12N","L2","PZA","D","D12",12,"N",NA,"Pre-XDR","DM","hydrophilic","hydrophilic","acidic","neutral","neg","polar",7.825,-1.928,0.018,1.58277,-2.236,0.09,79,85,-1.058,9,9,22,0.113989637305699,"helix",-1.4,5.01,0.000646830530401,17.0174957841484,17.0174574529133,17.0076332291246,19.306440114962,0,16,0,0,16,0,0,0,0,2,0,2,0,0,0,0,0,-7,0,-5,-2,0,0,0,0,-0.488348530901722,0.0153061224489795,0.0576479286708091,-0.381244671781756,0.0505617977528089,0.831578947368421,-0.871499176276771,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.124,-1.028,"9:9","147/150","C:D:T:G",2.83423972614077,0.0004057565735776,0.801467871651648,3.53631109416779,4.11022012991606,114.25813127402,1.23089565168614,0.0001105447439914,3.95646190174896,3.23648804294829,167.757055506696,1.11330211002346e-05,"lineage2","dr_mutations_pyrazinamide","ASN",0,"SRS797316","SRR1723847","lineage2.2.1","cn","China:Shanxi","pnca_p.asp12asn","A","G","ASP","DA12","pnca_complex.pdb"
|
||||
"D12Y","L4","PZA","D","D12",12,"Y",NA,"MDR","OM","hydrophilic","hydrophobic","acidic","neutral","neg","polar",7.825,-1.94,-0.794,4.93098,-1.092,-0.59,82,91,-1.058,9,9,22,0.113989637305699,"helix",-1.4,5.01,NA,NA,NA,NA,NA,-30,16,0,0,16,0,0,0,0,4,0,4,0,0,0,0,0,-7,0,-7,-2,0,0,0,-6,-0.491388044579534,-0.205167958656331,0.179597025036604,-0.18618925831202,-0.154450261780105,0.863157894736842,-0.871499176276771,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-1.028,"9:9","147/150","C:D:T:G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","TYR",0,"ERR047881","ERR047881","lineage4.3.3","gb","UK","pnca_p.asp12tyr","A","G","ASP","DA12","pnca_complex.pdb"
|
||||
"F13C","L4","PZA","F","F13",13,"C",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",3.551,-0.485,-2.32,2.69734,-2.036,-2.68,79,85,-1.201,9,9,24,0.1,"helix",0.6,6.93,0.0001437401178668,1.2119588062211,4.59700131334268e-05,0,1.01056822389159e-25,42,4,0,0,4,0,0,0,0,0,0,-2,0,0,0,0,0,-7,0,-5,-2,-2,0,-2,0,-0.122847011144883,-0.599483204134367,0.098242994194305,-0.347144075021313,-0.701570680628272,0.831578947368421,-0.989291598023064,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","F",-9.98752126245058,0.942832958100734,139.277183325397,-0.0717096729269463,NA,144471.706314842,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage4","other_mutations_pyrazinamide","CYS",0,"ERR1034975","ERR1034975","lineage4.3.2.1","za","South Africa","pnca_p.phe13cys","A","G","PHE","FA13","pnca_complex.pdb"
|
||||
"F13I","L4","PZA","F","F13",13,"I",1,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",3.551,-0.45,-1.762,0.887245,-1.241,-2.3,83,91,-1.201,9,9,24,0.1,"helix",0.6,6.93,0.0002874802357337,14.5631313131313,14.5630810302277,14.5631012253236,5.81873994206135,12,8,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,-7,0,-3,-4,4,0,2,4,-0.113981762917933,-0.455297157622739,0.0323153941972188,-0.211594202898551,-0.602094240837696,0.873684210526316,-0.989291598023064,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","F",2.67848962960141,0.0202679102821363,1.15384949648317,2.3213509541454,1.86363317860665,294.488177945996,1.16325476548539,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,0.0158563003544608,"lineage4","dr_mutations_pyrazinamide","ILE",0,"ERR2864275","ERR2864275","lineage4.1.2.1","pt","Portugal","pnca_p.phe13ile","A","G","PHE","FA13","pnca_complex.pdb"
|
||||
"F13L","L4","PZA","F","F13",13,"L",1,"XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",3.551,-0.427,-2.033,1.0968,-1.283,-2.06,84,91,-1.201,9,9,24,0.1,"helix",0.6,6.93,0.0005749604714675,34.0379426644182,34.0375872334388,34.0436365315203,23.2409378193551,8,6,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,-2,-4,-4,0,-2,0,-0.108156028368794,-0.525322997416021,0.0399478434429155,-0.218755328218244,-0.539267015706806,0.884210526315789,-0.989291598023064,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","F",3.52746542085928,0.0009482725856346,1.06716956280854,3.3054404321426,6.05331233477459,636.464952476757,1.53196330239691,2.88610345466244e-05,4.53968810533409,4.36820226973726,1521.29182901896,1.42922316872435e-06,"lineage4","dr_mutations_pyrazinamide","LEU",0,"ERR1873518","ERR1873518","lineage4.1.1.3","za","South Africa","pnca_p.phe13leu","A","G","PHE","FA13","pnca_complex.pdb"
|
||||
"F13S","L2","PZA","F","F13",13,"S",0,"XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",3.551,0.218,-3.104,2.59174,-2.032,-3.54,88,91,-1.201,9,9,24,0.1,"helix",0.6,6.93,0.0002874802357337,1.61648444070648,1.61648999729673,1.61641362774286,5.75148528770432e-25,44,6,0,0,6,0,0,0,0,0,0,-2,0,0,0,0,0,-9,0,-5,-4,-2,0,2,6,0.0977578475336322,-0.802067183462532,0.0943968123310922,-0.346462063086104,-0.926701570680628,0.926315789473684,-0.989291598023064,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","F",0.480257130287146,0.677247786834331,1.1538493489906,0.416221693678883,0.0799389646160496,12.6318165284589,0.208571528713835,0.527693668101443,0.277618116975238,0.0307788891197694,20.1401594005,0.999999999999395,"lineage2","dr_mutations_pyrazinamide","SER",0,"0218N-sc-2011-09-07T13:18:52Z-1276431,ERR067584","ERR067584","lineage2.2.1","ru","Russia,Samara","pnca_p.phe13ser","A","G","PHE","FA13","pnca_complex.pdb"
|
||||
"F13V","L3","PZA","F","F13",13,"V",0,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",3.551,-0.562,-2.57,1.40193,-2.51,-2.34,84,91,-1.201,9,9,24,0.1,"helix",0.6,6.93,0.0001437401178668,1.2119588062211,4.59700131334268e-05,0,1.01056822389159e-25,44,8,0,0,8,0,0,0,0,2,0,2,0,0,0,0,0,-1,0,-1,0,0,0,-4,0,-0.142350557244174,-0.664082687338501,0.051061342230057,-0.427962489343563,-0.612565445026178,0.884210526315789,-0.989291598023064,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","147/150","F",-9.98752126245058,0.942832958100734,139.277183325397,-0.0717096729269463,NA,144471.706314842,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage3","other_mutations_pyrazinamide","VAL",0,"ERR2510280","ERR2510280","lineage3","pk","Pakistan","pnca_p.phe13val","A","G","PHE","FA13","pnca_complex.pdb"
|
||||
"C14G","L4","PZA","C","C14",14,"G",0,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","neutral","non-polar","non-polar",8.493,-1.214,-0.534,1.40101,-2.618,1.21,82,91,0.013,5,5,1,0.0059880239520958,"loop",0.6,5.76,0.0009343107661348,4.1639877189814,4.16398768969361,4.16339464867528,5.83418569155344,10,0,0,0,0,0,0,0,0,0,0,2,-2,0,0,0,0,4,0,4,2,4,0,13,15,-0.307497467071935,-0.137984496124031,0.0510278338274609,-0.446376811594203,0.679775280898876,0.863157894736842,0.00416666666666667,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.244,0.225,"6:4","147/150","L:V:C:I:M:A:T",1.42647319438274,0.0104102993024226,0.556804076010637,2.56189431047824,1.33944091330526,12.5461379903288,0.619509439957981,0.0142886927095374,1.84500750353971,1.15481122214044,14.4829286214949,0.0157176829434794,"lineage4","dr_mutations_pyrazinamide","GLY",0,"ERR2510823","ERR2510823","lineage4.8","it","Italy","pnca_p.cys14gly","A","S","CYS","CA14","pnca_complex.pdb"
|
||||
"C14R","L2","PZA","C","C14",14,"R",NA,"XDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",8.493,-1.215,-0.333,-1.79171,-2.708,0.11,81,91,0.013,5,5,1,0.0059880239520958,"loop",0.6,5.76,0.0034497628288055,42.4477739726027,42.4477736723918,42.4422996313437,173.445422378416,-58,-18,0,0,-18,0,0,0,0,-4,0,-2,-2,0,0,0,0,-5,0,-2,-3,0,0,-2,-2,-0.307750759878419,-0.0860465116279069,-0.344480119972314,-0.461722080136402,0.0617977528089887,0.852631578947368,0.00416666666666667,"Destabilising","Destabilising","Stabilising","Destabilising","Stabilising","effect",-0.244,0.225,"6:4","147/150","L:V:C:I:M:A:T",3.74827446550197,2.29709370000913e-15,0.473019029416408,7.92415152964658,18.4724160727947,122.828725767578,1.6278549200979,5.27268754098056e-28,27.2779679641604,16.8169087404394,137.378365631042,1.30826250297363e-39,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2516005","ERR2516005","lineage2.2.2","za","South Africa","pnca_p.cys14arg","A","S","CYS","CA14","pnca_complex.pdb"
|
||||
"C14W","L2","PZA","C","C14",14,"W",1,"XDR","DM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",8.493,-0.421,-1.426,3.56718,-1.443,-1.01,81,91,0.013,5,5,1,0.0059880239520958,"loop",0.6,5.76,0.0002156101768003,9.70466975178797,9.70465898653051,9.70194990589383,2.29168245016684,-40,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-2,-4,0,0,0,-2,-0.106636271529888,-0.368475452196382,0.129924460405452,-0.246035805626598,-0.264397905759162,0.852631578947368,0.00416666666666667,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.225,"6:4","147/150","L:V:C:I:M:A:T",2.27260607808817,0.0634455902260898,1.22442760158496,1.8560559033024,0.929172866365548,208.881603004778,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage2","dr_mutations_pyrazinamide","TRP",0,"ERR1873469","ERR1873469","lineage2.2.1","za","South Africa","pnca_p.cys14trp","A","S","CYS","CA14","pnca_complex.pdb"
|
||||
"C14Y","L2","PZA","C","C14",14,"Y",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","neutral","non-polar","polar",8.493,-0.604,-0.931,-0.852908,-1.613,-0.51,73,85,0.013,5,5,1,0.0059880239520958,"loop",0.6,5.76,0.0001437401178668,4.85029436501262,4.85029432717734,4.84956447904112,0.0881192621863332,-40,-2,0,0,-2,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-3,-2,0,0,0,-2,-0.152988855116515,-0.240568475452196,-0.163982927016842,-0.275021312872975,-0.133507853403141,0.768421052631579,0.00416666666666667,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.244,0.225,"6:4","147/150","L:V:C:I:M:A:T",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673665,122.683760399245,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage2","dr_mutations_pyrazinamide","TYR",0,"SRR5709803,SAMN07236302","SRR5709803","lineage2.2.2","th","Thailand","pnca_p.cys14tyr","A","S","CYS","CA14","pnca_complex.pdb"
|
||||
"E15D","L4","PZA","E","E15",15,"D",NA,"Sensitive","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",11.854,0.146,-0.135,2.38936,-0.543,-0.05,-31,66,-0.898,8,8,92,0.412556053811659,"loop",-0.466666666666667,3.7,NA,NA,NA,NA,NA,10,4,0,0,4,0,0,0,0,7,0,7,0,0,0,0,0,4,0,2,2,0,0,2,-4,0.0654708520179372,-0.0348837209302325,0.0870256922034688,-0.0925831202046036,-0.013089005235602,-0.333333333333333,-0.739703459637562,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.993,-0.827,"9:8","146/150","H:A:S:E:P:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ASP",0,"ERR2229487","ERR2229487","lineage4.8","dk","","pnca_p.glu15asp","A","T","GLU","EA15","pnca_complex.pdb"
|
||||
"E15G","L2;L4","PZA","E","E15",15,"G",0,"MDR","OM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",11.854,-0.81,0.063,2.82636,-0.925,0.47,66,80,-0.898,8,8,92,0.412556053811659,"loop",-0.466666666666667,3.7,0.0003593502946672,0.484657419083649,1.69068633684896e-05,0,0.177777263899814,16,10,0,0,10,0,0,0,0,7,0,7,0,0,0,0,0,4,0,2,2,0,0,11,5,-0.20516717325228,0.0535714285714285,0.102942183436651,-0.15771526001705,0.264044943820225,0.694736842105263,-0.739703459637562,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.993,-0.827,"9:8","146/150","H:A:S:E:P:D",-10.9877909019995,0.939691219428539,145.22979768191,-0.075657964669658,NA,60.3389082676129,-0.314565134742567,0.596111875058711,0.224672226566594,0,5.29224350433385,0.673290424524484,"lineage2;lineage4","other_mutations_pyrazinamide","GLY",0,"14MT_11622","SRR5525995","lineage4.9;lineage2.2.1.1","pg","","pnca_p.glu15gly","A","T","GLU","EA15","pnca_complex.pdb"
|
||||
"G17A","L2","PZA","G","G17",17,"A",NA,"MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",11.288,-0.016,-0.03,4.40656,-1.942,-0.17,66,80,-1.147,9,9,18,0.173076923076923,"loop",-0.533333333333333,3.87,7.18700589334483e-05,9.70142977291842,188179.926264583,Inf,0.763784339928386,-6,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-2,0,-4,2,-6,0,-13,-18,-0.0040526849037487,-0.0077519379844961,0.160496507113251,-0.331116794543905,-0.0445026178010471,0.694736842105263,-0.944810543657331,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","147/150","R:G",12.1451538387262,0.919026337424224,119.468044436215,0.101660271548268,5.01153666064308e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","ALA",0,"ERR718273","ERR718273","lineage2.2.1","th","Thailand","pnca_p.gly17ala","A","S","GLY","GA17","pnca_complex.pdb"
|
||||
"G17D","L4","PZA","G","G17",17,"D",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",11.288,1.678,-0.552,15.5901,-2.984,-0.05,78,85,-1.147,9,9,18,0.173076923076923,"loop",-0.533333333333333,3.87,0.0003593502946672,19.4256842105263,19.4256680571767,19.4169790983636,9.87561363723508,-26,-26,0,0,-26,0,0,0,0,-2,0,-4,-2,0,0,0,0,-6,0,-6,-2,-6,0,-11,-21,0.752466367713005,-0.142635658914729,0.567825377515862,-0.508780903665814,-0.013089005235602,0.821052631578947,-0.944810543657331,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","147/150","R:G",2.96659528728018,0.0079500503166054,1.11770528264822,2.65418382943607,2.87215213651461,380.0971589756,1.28837632444196,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,0.0016748373055023,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR1035344","ERR1035344","lineage4.3.2","br","Brazil","pnca_p.gly17asp","A","S","GLY","GA17","pnca_complex.pdb"
|
||||
"G17R","L2","PZA","G","G17",17,"R",1,"MDR","OM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",11.288,0.099,-0.0579999999999999,13.8675,-2.189,0.01,86,91,-1.147,9,9,18,0.173076923076923,"loop",-0.533333333333333,3.87,7.18700589334483e-05,9.70142977291842,188179.926264663,Inf,0.763784339928386,-74,-16,0,0,-16,0,0,0,0,-2,0,-2,-2,0,0,0,0,-7,0,-7,-5,-10,0,-13,-21,0.0443946188340807,-0.0149870801033591,0.505084535872202,-0.373231031543052,0.0056179775280898,0.905263157894737,-0.944810543657331,"Stabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.124,"9:9","147/150","R:G",12.1451538387266,0.919026337424239,119.468044436241,0.10166027154825,5.0115366606189e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","ARG",0,"ERR2510655","ERR2510655","lineage2.2.1","it","Italy","pnca_p.gly17arg","A","S","GLY","GA17","pnca_complex.pdb"
|
||||
"G17S","L4","PZA","G","G17",17,"S",0,"Pre-MDR","OM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",11.288,0.598,-0.437,8.97262,-1.946,-0.26,68,80,-1.147,9,9,18,0.173076923076923,"loop",-0.533333333333333,3.87,0.0002156101768003,2.42493692178301,2.4249395742581,2.42473736947533,4.31445715363782e-25,-6,0,0,0,0,0,0,0,0,-2,0,-2,-2,0,0,0,0,-7,0,-7,0,-4,0,-11,-19,0.268161434977578,-0.112919896640827,0.32680235141573,-0.331798806479113,-0.0680628272251308,0.715789473684211,-0.944810543657331,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","147/150","R:G",0.885806606247281,0.469406216824826,1.22442753211922,0.723445514749362,0.112662937620391,25.327054747117,0.384700446081433,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,0.999999999999476,"lineage4","other_mutations_pyrazinamide","SER",0,"1054X-sc-2012-02-09T18:57:40Z-1355318,ERR133985","ERR133985","lineage4.3.3","ru","Russia","pnca_p.gly17ser","A","S","GLY","GA17","pnca_complex.pdb"
|
||||
"S18P","L1","PZA","S","S18",18,"P",0,"Other","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",9.173,-1.13,-0.521,1.09268,0.064,-0.16,53,75,-0.553,7,7,53,0.341935483870968,"loop",0.866666666666667,3.72,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,-4,2,-6,-2,-2,0,-8,0,-0.286220871327254,-0.134625322997416,0.0397977840747674,0.0540540540540541,-0.0418848167539267,0.557894736842105,-0.455518945634267,"Destabilising","Destabilising","Destabilising","Stabilising","Destabilising","effect",-0.674,-0.485,"7:7","147/150","T:S:A:R:K:N:H:E",-8.9874087814964,0.940032862253632,119.468044435489,-0.0752285585987761,NA,4692673.51081157,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage1","dr_mutations_pyrazinamide","PRO",0,"SAMN03648394,SRR2101147","SRR2101147","lineage1.2.2","","","pnca_p.ser18pro","A","T","SER","SA18","pnca_complex.pdb"
|
||||
"L19P","L4","PZA","L","L19",19,"P",1,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",5.113,-1.723,-1.791,2.98164,-1.477,-1.37,83,91,-1.173,9,9,27,0.134328358208955,"loop",1.6,4.47,0.0003593502946672,19.4256842105263,19.4256680571767,19.4169790983636,9.87561363723508,26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,6,-1,1,-4,0,-2,0,-0.436423505572442,-0.462790697674418,0.108597819040057,-0.251832907075874,-0.358638743455497,0.873684210526316,-0.966227347611203,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","L:V",2.96659528728018,0.0079500503166053,1.11770528264822,2.65418382943607,2.87215213651493,380.09715897553,1.28837632444196,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,0.0016748373055023,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR2041727","ERR2041727","lineage4.4.1.1","rs","Serbia","pnca_p.leu19pro","A","T","LEU","LA19","pnca_complex.pdb"
|
||||
"L19R","L3","PZA","L","L19",19,"R",1,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",5.113,-0.665,-1.418,2.62574,-1.398,-0.57,81,91,-1.173,9,9,27,0.134328358208955,"loop",1.6,4.47,0.0002156101768003,9.70466975178797,9.70465898653051,9.70194990589383,2.29168245016684,-54,-30,0,0,-30,0,0,0,0,0,0,0,0,0,0,0,0,2,0,-1,2,-4,0,0,-8,-0.168439716312057,-0.36640826873385,0.0956351663400812,-0.238363171355499,-0.149214659685864,0.852631578947368,-0.966227347611203,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","L:V",2.27260607808817,0.0634455902260897,1.22442760158496,1.8560559033024,0.929172866364976,208.881603004981,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage3","dr_mutations_pyrazinamide","ARG",0,"ERR3335797","ERR3335797","lineage3","pk","Pakistan","pnca_p.leu19arg","A","T","LEU","LA19","pnca_complex.pdb"
|
||||
"L19V","L4","PZA","L","L19",19,"V",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.113,-1.722,-2.048,1.25265,-1.307,-2.23,7,53,-1.173,9,9,27,0.134328358208955,"loop",1.6,4.47,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-2,-1,-2,0,0,-2,-0.436170212765957,-0.529198966408269,0.0456242396870607,-0.222847399829497,-0.583769633507853,0.0736842105263158,-0.966227347611203,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","L:V",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987759,NA,4692673.51081035,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","VAL",0,"SRR6325448","SRR6325448","lineage4.3","us","","pnca_p.leu19val","A","T","LEU","LA19","pnca_complex.pdb"
|
||||
"A20P","L3;L4","PZA","A","A20",20,"P",NA,"Pre-MDR","OM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",9.104,-0.318,-0.313,-1.37798,-0.07,0.06,-76,87,-0.39,6,6,52,0.403100775193798,"loop",3.26666666666667,3.81,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,2,-6,0,0,0,0,-3,-0.080547112462006,-0.0808785529715762,-0.264935014996539,-0.0119352088661552,0.0337078651685393,-0.817204301075269,-0.321252059308072,"Destabilising","Destabilising","Stabilising","Destabilising","Stabilising","neutral",-0.553,-0.332,"7:6","147/150","P:A:S:Y:E:G:H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage3;lineage4","other_mutations_pyrazinamide","PRO",0,"SRR6325444","SRR6325444","lineage4.3;lineage3","us","","pnca_p.ala20pro","A","-","ALA","AA20","pnca_complex.pdb"
|
||||
"A20S","L2","PZA","A","A20",20,"S",NA,"Other","OM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",9.104,0.467,-0.846,-0.127919,-0.376,-0.16,-46,72,-0.39,6,6,52,0.403100775193798,"loop",3.26666666666667,3.81,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,-4,0,-4,0,0,0,0,0,-3,0,-3,0,0,0,0,-1,0.209417040358744,-0.218604651162791,-0.0245941321233561,-0.0641091219096334,-0.0418848167539267,-0.494623655913978,-0.321252059308072,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.553,-0.332,"7:6","147/150","P:A:S:Y:E:G:H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","SER",0,"ERR502943","ERR502943","lineage2.2","","","pnca_p.ala20ser","A","-","ALA","AA20","pnca_complex.pdb"
|
||||
"V21A","L4","PZA","V","V21",21,"A",1,"XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",6.521,-0.327,-1.742,1.43401,-1.866,-1.79,60,80,-1.104,9,9,9,0.0517241379310344,"loop",1.76666666666667,4.94,0.0001437401178668,4.85029436501262,4.85029432717736,4.84956447904112,0.0881192621863332,4,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,-1,0,-1,0,2,0,4,1,-0.0828267477203647,-0.450129198966408,0.0522297656597149,-0.318158567774936,-0.468586387434555,0.631578947368421,-0.909390444810544,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","147/150","T:V:C:I",1.57903938912402,0.264247566376722,1.41439286276584,1.11640791656443,0.191756076673664,122.683760399233,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage4","dr_mutations_pyrazinamide","ALA",0,"SAMN02419617,XTB13-183","SRR1172308_SRR1162962_SRR1168981_SRR1166910","lineage4.3.3","by","Belarus","pnca_p.val21ala","A","-","VAL","VA21","pnca_complex.pdb"
|
||||
"V21G","L3","PZA","V","V21",21,"G",1,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",6.521,-0.391,-2.004,2.37287,-2.469,-2.8,70,85,-1.104,9,9,9,0.0517241379310344,"loop",1.76666666666667,4.94,0.0004312203536006,24.2923336141533,24.29233342416,24.2833096922897,14.1977442691074,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,11,15,-0.0990374873353596,-0.517829457364341,0.0864250905091092,-0.420971867007673,-0.732984293193717,0.736842105263158,-0.909390444810544,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","147/150","T:V:C:I",3.19016080361872,0.0035954281300594,1.09565968954933,2.91163472932996,3.91551977432241,465.531063220335,1.38546923679232,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,0.0001645676755807,"lineage3","dr_mutations_pyrazinamide","GLY",0,"ERR550764,SAMEA2533452","ERR550764","lineage3.1.1","","","pnca_p.val21gly","A","-","VAL","VA21","pnca_complex.pdb"
|
||||
"V21I","L4","PZA","V","V21",21,"I",NA,"Other","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",6.521,-0.188,-0.748,-0.568333,-0.271,-0.56,30,66,-1.104,9,9,9,0.0517241379310344,"loop",1.76666666666667,4.94,NA,NA,NA,NA,NA,-14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,-2,-2,-0.0476190476190476,-0.19328165374677,-0.1092695916327,-0.0462063086104007,-0.146596858638743,0.315789473684211,-0.909390444810544,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","147/150","T:V:C:I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ILE",0,"ERR1034923","ERR1034923","lineage4.1.2.1","za","South Africa","pnca_p.val21ile","A","-","VAL","VA21","pnca_complex.pdb"
|
||||
"T22A","L4","PZA","T","T22",22,"A",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",11.195,-0.361,0.118,-0.193269,0.057,-0.37,-93,97,1.546,1,1,127,0.738372093023256,"loop",1.03333333333333,3.6,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,4,1,-0.0914387031408308,0.100340136054422,-0.0371585403368453,0.0481418918918919,-0.0968586387434555,-1,0.495512820512821,"Destabilising","Stabilising","Stabilising","Stabilising","Destabilising","neutral",0.842,1.712,"2:1","147/150","T:A:S:G:P:D:H:E:Q:N:K:I:R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ALA",0,"SRR6325445","SRR6325445","lineage4.3","us","","pnca_p.thr22ala","A","T","THR","TA22","pnca_complex.pdb"
|
||||
"T22P","L2","PZA","T","T22",22,"P",NA,"Other","OM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",11.195,-0.353,0.063,-1.50027,0.006,0,-77,87,1.546,1,1,127,0.738372093023256,"loop",1.03333333333333,3.6,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,-0.0894123606889564,0.0535714285714285,-0.288446896869953,0.00506756756756757,0,-0.827956989247312,0.495512820512821,"Destabilising","Stabilising","Stabilising","Stabilising","Stabilising","neutral",0.842,1.712,"2:1","147/150","T:A:S:G:P:D:H:E:Q:N:K:I:R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","PRO",0,"ERR502943","ERR502943","lineage2.2","","","pnca_p.thr22pro","A","T","THR","TA22","pnca_complex.pdb"
|
||||
"G23V","L2","PZA","G","G23",23,"V",0,"MDR","DM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",11.963,-0.147,-0.781,2.85361,-2.833,-1.41,53,75,0.492,3,3,28,0.269230769230769,"loop",-0.5,3.83,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-3,0,-2,0,-5,-13,-0.0372340425531914,-0.201808785529716,0.103934687752679,-0.483034953111679,-0.369109947643979,0.557894736842105,0.157692307692308,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.083,0.59,"5:3","147/150","G:D:H:Y:E:Q:N:R:K",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987751,NA,4692673.51081314,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","dr_mutations_pyrazinamide","VAL",0,"MDR_27149","SRR6824547","lineage2.2.1","cn","China: Weiyang District, Xi'an City, Shaanxi Province","pnca_p.gly23val","A","T","GLY","GA23","pnca_complex.pdb"
|
||||
"G24D","L4","PZA","G","G24",24,"D",0,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",10.19,1.138,-2.197,4.32448,-3.803,-1.77,80,91,-0.971,9,9,0,0,"helix",0.333333333333333,5.96,0.0005030904125341,29.1630847029077,29.1630732435189,29.1293325978315,18.6717493808583,-20,-28,0,0,-28,0,0,0,0,0,0,0,0,0,0,0,0,-10,0,-6,-6,-6,0,-9,-23,0.510313901345291,-0.567700258397933,0.157506974846845,-0.648422847399829,-0.463350785340314,0.842105263157895,-0.799835255354201,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.094,-0.914,"9:8","147/150","G:S:A",3.37290329402598,0.001789077082818,1.07995768762031,3.12318096596746,4.97876379054099,550.894323519243,1.46483345924118,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,1.55265977742841e-05,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR2041731","ERR2041731","lineage4.2.2.1","rs","Serbia","pnca_p.gly24asp","A","H","GLY","GA24","pnca_complex.pdb"
|
||||
"G24R","L2","PZA","G","G24",24,"R",NA,"XDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",10.19,-0.978,-1.19,6.83709,-3.44,-0.67,82,91,-0.971,9,9,0,0,"helix",0.333333333333333,5.96,7.18700589334483e-05,9.70142977291842,188179.926264595,Inf,0.763784339928386,-64,-30,0,0,-30,0,0,0,0,-2,0,0,-2,0,0,0,0,-9,0,-3,-11,-14,0,-17,-29,-0.247720364741641,-0.30749354005168,0.249021700332899,-0.586530264279625,-0.175392670157068,0.863157894736842,-0.799835255354201,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.094,-0.914,"9:8","147/150","G:S:A",12.1451538387262,0.919026337424226,119.468044436218,0.101660271548266,5.01153666064e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","ARG",0,"SAMN02628481","SRR1174894_SRR1183028_SRR1172289_SRR1180230","lineage2.2.1","ir","Iran","pnca_p.gly24arg","A","H","GLY","GA24","pnca_complex.pdb"
|
||||
"G24S","L2","PZA","G","G24",24,"S",1,"XDR","OM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",10.19,-0.034,-1.524,-0.205598,-2.078,-1.03,41,71,-0.971,9,9,0,0,"helix",0.333333333333333,5.96,7.18700589334483e-05,9.70142977291842,188179.926264687,Inf,0.763784339928386,-8,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-8,0,-6,-4,-4,0,-9,-17,-0.008611955420466,-0.393798449612403,-0.0395289548565716,-0.354305200341006,-0.269633507853403,0.431578947368421,-0.799835255354201,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.094,-0.914,"9:8","147/150","G:S:A",12.1451538387267,0.919026337424243,119.468044436249,0.101660271548244,5.01153666061174e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","SER",0,"ERR2516425","ERR2516425","lineage2.2.1","pe","Peru","pnca_p.gly24ser","A","H","GLY","GA24","pnca_complex.pdb"
|
||||
"G24V","L2","PZA","G","G24",24,"V",0,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",10.19,-1.361,-0.186,2.33197,-2.591,-1.1,70,85,-0.971,9,9,0,0,"helix",0.333333333333333,5.96,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-9,0,-7,-6,-6,0,-11,-23,-0.344731509625127,-0.0480620155038759,0.0849354234806489,-0.441773231031543,-0.287958115183246,0.736842105263158,-0.799835255354201,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.094,-0.914,"9:8","147/150","G:S:A",-8.98740878149641,0.940032862253632,119.46804443549,-0.0752285585987761,NA,4692673.51081173,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","VAL",0,"ERR1035102","ERR1035102","lineage2.2.1","vn","Vietnam","pnca_p.gly24val","A","H","GLY","GA24","pnca_complex.pdb"
|
||||
"A25V","L4","PZA","A","A25",25,"V",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",12.121,-0.995,-0.514,-0.280715,-0.778,-0.65,-66,82,-0.242,6,6,26,0.201550387596899,"helix",1.06666666666667,4.5,NA,NA,NA,NA,NA,-2,0,0,0,0,0,0,0,0,0,0,2,-2,0,0,0,0,1,0,3,-1,0,0,0,3,-0.252026342451874,-0.1328165374677,-0.0539711989540875,-0.132651321398124,-0.170157068062827,-0.709677419354839,-0.199341021416804,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.411,-0.147,"7:6","147/150","R:K:N:H:E:Y:D:T:S:G:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","VAL",0,"ERR3275947","ERR3275947","lineage4.2.2","nl","Netherlands","pnca_p.ala25val","A","H","ALA","AA25","pnca_complex.pdb"
|
||||
"L27P","L4","PZA","L","L27",27,"P",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",9.548,-1.558,-1.624,4.6599,-3.919,-1.07,71,85,-0.385,6,6,11,0.0547263681592039,"helix",2.46666666666667,5.14,0.0007187005893344,19.4567692956558,19.4567531291168,19.4480067941443,23.6697146258566,22,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,-2,4,-4,-2,2,0,6,2,-0.394630192502533,-0.419638242894057,0.169723701367289,-0.668201193520887,-0.280104712041885,0.747368421052632,-0.317133443163097,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.332,"7:6","147/150","R:C:I:V:L:T:M",2.96819421438473,0.000173451696941,0.790498020917702,3.75484079130129,4.8718075812224,128.958907982956,1.28907072937786,2.34381123661905e-05,4.63007736799346,3.87828374077737,187.779865627687,1.14368245582331e-06,"lineage4","dr_mutations_pyrazinamide","PRO",0,"SAMN02567730","SRR1166108","lineage4.2.1","ro","Romania","pnca_p.leu27pro","A","H","LEU","LA27","pnca_complex.pdb"
|
||||
"L27Q","L4","PZA","L","L27",27,"Q",NA,"MDR","OM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",9.548,0.134,-1.081,2.24048,-3.309,-0.81,45,71,-0.385,6,6,11,0.0547263681592039,"helix",2.46666666666667,5.14,NA,NA,NA,NA,NA,-8,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-10,0,-6,-4,2,0,2,-2,0.0600896860986547,-0.279328165374677,0.0816031585311665,-0.564194373401535,-0.212041884816754,0.473684210526316,-0.317133443163097,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.332,"7:6","147/150","R:C:I:V:L:T:M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLN",0,"SAMN02628478","SRR1174323_SRR1172944","lineage4.4","ir","Iran","pnca_p.leu27gln","A","H","LEU","LA27","pnca_complex.pdb"
|
||||
"L27R","L4","PZA","L","L27",27,"R",1,"Pre-XDR","OM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",9.548,-1.016,-0.738,2.15593,-3.558,-0.1,69,80,-0.385,6,6,11,0.0547263681592039,"helix",2.46666666666667,5.14,0.0001437401178668,4.85029436501262,4.85029432717734,4.84956447904112,0.0881192621863332,-46,-20,0,-2,-18,0,0,0,0,0,0,-2,0,0,0,0,0,-3,0,-3,-1,0,0,2,4,-0.257345491388045,-0.190697674418605,0.0785236634882247,-0.606649616368286,-0.0261780104712041,0.726315789473684,-0.317133443163097,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.332,"7:6","147/150","R:C:I:V:L:T:M",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673649,122.683760399218,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage4","other_mutations_pyrazinamide","ARG",0,"ERR2516687","ERR2516687","lineage4.3.4.2","pe","Peru","pnca_p.leu27arg","A","H","LEU","LA27","pnca_complex.pdb"
|
||||
"A28D","L2","PZA","A","A28",28,"D",1,"MDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",12.7,0.554,-2.8,3.01687,-4.44,-1.38,67,80,-0.564,7,7,0,0,"helix",0.366666666666667,6.48,7.18700589334483e-05,9.70142977291842,188179.926264663,Inf,0.763784339928386,-8,-52,0,0,-52,0,0,0,0,0,0,4,-4,0,0,0,0,-7,0,-3,-2,-8,0,-10,-5,0.248430493273542,-0.723514211886305,0.10988097232643,-0.757033248081841,-0.361256544502618,0.705263157894737,-0.464579901153213,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","147/150","P:A:I:V:L",12.1451538387266,0.91902633742424,119.468044436242,0.101660271548249,5.01153666061778e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","ASP",0,"SAMN10961375","SRR8651616","lineage2.2.1","cn","China:Wenzhou","pnca_p.ala28asp","A","H","ALA","AA28","pnca_complex.pdb"
|
||||
"A28T","L4","PZA","A","A28",28,"T",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",12.7,-0.289,-1.901,-0.611286,-2.577,-1.74,41,71,-0.564,7,7,0,0,"helix",0.366666666666667,6.48,NA,NA,NA,NA,NA,-2,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-8,0,-2,-6,-8,0,-4,-5,-0.0732016210739615,-0.491214470284238,-0.117527878181958,-0.439386189258312,-0.455497382198953,0.431578947368421,-0.464579901153213,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","147/150","P:A:I:V:L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","THR",0,"ERR2516621","ERR2516621","lineage4.1.1.3","nl","Netherlands","pnca_p.ala28thr","A","H","ALA","AA28","pnca_complex.pdb"
|
||||
"A30V","L1","PZA","A","A30",30,"V",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",16.46,-0.846,-0.401,-0.154342,-0.442,-0.7,-76,87,1.207,1,1,37,0.286821705426357,"helix",0.6,3.88,7.18700589334483e-05,9.70142977291842,188179.9262646,Inf,0.763784339928386,-4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-5,-4,0,0,0,-3,-0.214285714285714,-0.103617571059432,-0.0296743059294009,-0.0753623188405797,-0.183246073298429,-0.817204301075269,0.386858974358974,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",0.59,1.183,"3:1","147/150","Q:E:Y:K:I:R:V:L:N:P:M:A:G:T:D",12.1451538387263,0.919026337424228,119.468044436221,0.101660271548264,5.01153666063734e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage1","other_mutations_pyrazinamide","VAL",0,"ERR3256161","ERR3256161","lineage1.2.1","ph","Philippines","pnca_p.ala30val","A","H","ALA","AA30","pnca_complex.pdb"
|
||||
"I31S","L2","PZA","I","I31",31,"S",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",11.654,-0.329,-3.608,4.81248,-3.395,-3.34,60,80,-0.562,7,7,0,0,"helix",1.83333333333333,6.99,0.0004312203536006,58.3312262958281,1393450.94022095,Inf,23.547488635408,28,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,0,0,0,0,2,0,2,2,-0.0833333333333333,-0.932299741602067,0.17528099709351,-0.578857630008525,-0.87434554973822,0.631578947368421,-0.462932454695222,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","147/150","I:L:V:T:A",14.1472939191279,0.915018435774967,132.576060676205,0.106710773023195,4.17896182050295,NA,1.7659011066874,2.48532104922106e-05,4.60461750194108,5.71767556863798,Inf,1.21868387173808e-06,"lineage2","dr_mutations_pyrazinamide","SER",0,"ETB0068","SRR6257006","lineage2.2.1","ru","Russia:Altaysky Krai","pnca_p.ile31ser","A","H","ILE","IA31","pnca_complex.pdb"
|
||||
"I31T","L2","PZA","I","I31",31,"T",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",11.654,-0.358,-3.12,3.06922,-3.102,-3.05,62,80,-0.562,7,7,0,0,"helix",1.83333333333333,6.99,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,24,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-5,0,-5,0,2,0,2,0,-0.0906788247213779,-0.806201550387597,0.111787673278506,-0.528900255754476,-0.798429319371728,0.652631578947368,-0.462932454695222,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","147/150","I:L:V:T:A",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987758,NA,4692673.51081066,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","THR",0,"SAMN07236365,SRR5709965","SRR5709965","lineage2.2.1","th","Thailand","pnca_p.ile31thr","A","H","ILE","IA31","pnca_complex.pdb"
|
||||
"S32G","L1","PZA","S","S32",32,"G",NA,"Sensitive","OM","hydrophilic","hydrophobic","neutral","neutral","polar","non-polar",16.787,-1.334,-0.875,0.0485615999999999,-0.992,-0.43,-32,66,-0.647,7,7,7,0.0451612903225806,"loop",0.0666666666666666,4.62,NA,NA,NA,NA,NA,4,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,3,0,3,0,2,0,5,17,-0.337892603850051,-0.22609819121447,0.00176871917773293,-0.169138959931799,-0.112565445026178,-0.344086021505376,-0.532948929159802,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.779,-0.553,"8:7","147/150","D:T:S:G:A:V:N:R:Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","GLY",0,"SRR5067283","SRR5067283","lineage1.1.1","vn","Vietnam","pnca_p.ser32gly","A","T","SER","SA32","pnca_complex.pdb"
|
||||
"S32I","L4","PZA","S","S32",32,"I",1,"Pre-XDR","DM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",16.787,-1.207,0.018,0.86851,-0.677,-0.41,29,63,-0.647,7,7,7,0.0451612903225806,"loop",0.0666666666666666,4.62,7.18700589334483e-05,9.70142977291842,188179.926264664,Inf,0.763784339928386,-10,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,-2,-3,0,0,0,0,-0.305724417426545,0.0153061224489795,0.0316330247160891,-0.115430520034101,-0.107329842931937,0.305263157894737,-0.532948929159802,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.553,"8:7","147/150","D:T:S:G:A:V:N:R:Q",12.1451538387266,0.919026337424239,119.468044436241,0.101660271548249,5.01153666061844e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","ILE",0,"ERS458092","ERR552499_ERR552498","lineage4.3.3","uz","Nukus","pnca_p.ser32ile","A","T","SER","SA32","pnca_complex.pdb"
|
||||
"D33V","L4","PZA","D","D33",33,"V",1,"Other","OM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",20.313,-0.795,0.276,1.48114,-0.022,-0.3,-5,53,1.213,1,1,77,0.398963730569948,"loop",-1.86666666666667,3.72,7.18700589334483e-05,9.70142977291842,188179.9262646,Inf,0.763784339928386,4,14,0,2,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,-0.201367781155015,0.23469387755102,0.053946342849234,-0.00375106564364876,-0.0785340314136125,-0.0537634408602151,0.388782051282051,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","neutral",0.842,1.183,"2:1","147/150","N:L:V:K:R:H:E:Q:D:T:A:S:G",12.1451538387263,0.919026337424228,119.468044436221,0.101660271548264,5.01153666063734e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","VAL",0,"ERS457272","ERR551343_ERR551342","lineage4.1.2.1","uz","Nukus","pnca_p.asp33val","A","T","ASP","DA33","pnca_complex.pdb"
|
||||
"Y34C","L4","PZA","Y","Y34",34,"C",NA,"MDR","OM","hydrophobic","hydrophobic","neutral","neutral","polar","non-polar",18.259,-0.635,-1.829,1.92562,-0.861,-1.94,-2,53,0.42,3,3,26,0.0988593155893536,"loop",-0.333333333333333,4.65,NA,NA,NA,NA,NA,48,10,0,2,8,0,0,0,0,-2,0,-4,2,0,0,0,0,2,0,0,2,6,0,2,6,-0.160840932117528,-0.472609819121447,0.0701352719643937,-0.146803069053708,-0.507853403141361,-0.021505376344086,0.134615384615385,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.083,0.59,"5:3","147/150","M:A:W:Y:E:F:H:Q:V:L:R:C:I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","CYS",0,"SAMN02231172","SRR998793_SRR998792_SRR998795_SRR998794","lineage4.1","ml","Mali","pnca_p.tyr34cys","A","T","TYR","YA34","pnca_complex.pdb"
|
||||
"Y34D","L4","PZA","Y","Y34",34,"D",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","acidic","polar","neg",18.259,0.124,-1.857,2.0881,-1.484,-1.99,30,66,0.42,3,3,26,0.0988593155893536,"loop",-0.333333333333333,4.65,0.0005749604714675,14.5802781289507,14.5802277940117,14.5801759034061,15.0663448164144,38,-18,0,0,-18,0,0,0,0,2,0,0,2,0,0,0,0,3,0,0,3,8,0,2,6,0.0556053811659192,-0.47984496124031,0.0760531472402917,-0.253026427962489,-0.520942408376963,0.315789473684211,0.134615384615385,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.083,0.59,"5:3","147/150","M:A:W:Y:E:F:H:Q:V:L:R:C:I",2.6796663501904,0.0010245352377104,0.816050632122416,3.28370108999367,3.35697961122125,99.553869259241,1.16376580853041,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,0.0001037975122989,"lineage4","dr_mutations_pyrazinamide","ASP",0,"SAMN02350491","SRR1019165_SRR1140957","lineage4.4.1.1","za","South Africa","pnca_p.tyr34asp","A","T","TYR","YA34","pnca_complex.pdb"
|
||||
"Y34S","L2","PZA","Y","Y34",34,"S",0,"MDR","DM","hydrophobic","hydrophilic","neutral","neutral","polar","polar",18.259,-0.316,-3.224,0.32836,-1.692,-3.31,13,59,0.42,3,3,26,0.0988593155893536,"loop",-0.333333333333333,4.65,0.0001437401178668,1.2119588062211,4.5970013133425e-05,0,1.01056822389159e-25,48,10,0,2,8,0,0,0,0,-2,0,-4,2,0,0,0,0,2,0,0,2,10,0,2,10,-0.0800405268490375,-0.833074935400517,0.0119595859526949,-0.28849104859335,-0.866492146596859,0.136842105263158,0.134615384615385,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.083,0.59,"5:3","147/150","M:A:W:Y:E:F:H:Q:V:L:R:C:I",-9.98752126245062,0.942832958100734,139.277183325398,-0.071709672926946,NA,144471.706314878,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","dr_mutations_pyrazinamide","SER",0,"ERR2510443","ERR2510443","lineage2.2.1","pk","Pakistan","pnca_p.tyr34ser","A","T","TYR","YA34","pnca_complex.pdb"
|
||||
"L35M","L4","PZA","L","L35",35,"M",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",17.42,-1.12,-1.162,-0.61263,-0.928,-0.38,-4,53,0.183,4,4,35,0.174129353233831,"loop",1.43333333333333,4.69,NA,NA,NA,NA,NA,-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,2,0,-2,2,-0.283687943262411,-0.300258397932817,-0.11778628008921,-0.158226768968457,-0.0994764397905759,-0.043010752688172,0.0586538461538462,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.038,0.389,"5:4","147/150","G:A:S:M:T:Q:V:L:I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","MET",0,"SAMN02231181","SRR1162468_SRR1162694_SRR1103486","lineage4.1","ml","Mali","pnca_p.leu35met","A","T","LEU","LA35","pnca_complex.pdb"
|
||||
"L35P","L2","PZA","L","L35",35,"P",0,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",17.42,-0.954,-2.054,8.91998,-2.108,-1.48,82,91,0.183,4,4,35,0.174129353233831,"loop",1.43333333333333,4.69,0.0005749604714675,4.85515789473684,4.85515785897614,4.85442845338892,4.01139112494925,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,-5,1,8,0,0,8,-0.241641337386018,-0.530749354005168,0.324885088032401,-0.359420289855072,-0.387434554973822,0.863157894736842,0.0586538461538462,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","147/150","G:A:S:M:T:Q:V:L:I",1.58004161593687,0.0255237229775361,0.70746570614631,2.23338262506551,1.14726850666833,20.5466864308597,0.686203358177678,0.033386534669467,1.47642865587913,0.903495684237988,26.0627135254866,0.0451938468216249,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERR2513880","ERR2513880","lineage2.2.1","gb","UK","pnca_p.leu35pro","A","T","LEU","LA35","pnca_complex.pdb"
|
||||
"L35R","L4","PZA","L","L35",35,"R",NA,"Sensitive","OM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",17.42,-0.653,-1.493,-2.11958,-2.016,-0.88,64,80,0.183,4,4,35,0.174129353233831,"loop",1.43333333333333,4.69,0.0025873221216041,0.284614813531639,0.28461481380629,0.284630509244736,2.62510215004498,-30,-32,0,-2,-30,0,0,0,0,-2,0,-2,0,0,0,0,0,-6,0,-6,-2,-2,0,-8,-2,-0.165400202634245,-0.38578811369509,-0.40751749596247,-0.343734015345269,-0.230366492146597,0.673684210526316,0.0586538461538462,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","147/150","G:A:S:M:T:Q:V:L:I",-1.25661854335884,0.0842996990557667,0.727940577686249,-1.72626527752167,0.0461651045270816,0.934717733973448,-0.545742499657136,0.0746087863378038,1.1272100246275,0.033101827382896,1.11162498496942,0.105185735611338,"lineage4","other_mutations_pyrazinamide","ARG",0,"016-1","ERR1750903","lineage4.9","za","","pnca_p.leu35arg","A","T","LEU","LA35","pnca_complex.pdb"
|
||||
"E37V","L4","PZA","E","E37",37,"V",0,"Sensitive","OM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",24.08,-0.519,-0.033,0.085964,-0.065,-0.26,-32,66,2.736,1,1,138,0.618834080717489,"loop",0.0333333333333333,3.58,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,12,18,0,2,16,0,0,0,0,2,0,2,0,0,0,0,0,-1,0,-2,1,2,0,2,-2,-0.131458966565349,-0.0085271317829457,0.00313099600084499,-0.0110826939471441,-0.0680628272251308,-0.344086021505376,0.876923076923077,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",1.183,3.125,"1:1","95/150","F:E:Q:V:N:L:I:R:T:W:H:Y:M:G:A:S:P:D",-8.9874087814964,0.940032862253632,119.468044435489,-0.0752285585987761,NA,4692673.51081157,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","VAL",0,"SAMN03647581,SRR2100408","SRR2100408","lineage4.1.1.1","","","pnca_p.glu37val","A","S","GLU","EA37","pnca_complex.pdb"
|
||||
"Y41C","L4","PZA","Y","Y41",41,"C",0,"MDR","OM","hydrophobic","hydrophobic","neutral","neutral","polar","non-polar",19.063,-1.07,-1.057,4.03027,-1.836,0.19,37,66,-0.477,7,7,35,0.133079847908745,"loop",-2.66666666666667,4.97,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,46,8,0,0,8,0,0,0,0,2,0,-2,4,0,0,0,0,2,0,-2,4,10,0,2,10,-0.271023302938197,-0.27312661498708,0.146791206229649,-0.31304347826087,0.106741573033708,0.389473684210526,-0.392915980230643,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.674,-0.411,"7:7","147/150","L:N:R:F:H:Y:W:A:G",-8.98740878149643,0.940032862253634,119.468044435493,-0.0752285585987739,NA,4692673.51081287,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","CYS",0,"ERR2510731","ERR2510731","lineage4.1.2.1","it","Italy","pnca_p.tyr41cys","A","-","TYR","YA41","pnca_complex.pdb"
|
||||
"Y41D","L4","PZA","Y","Y41",41,"D",1,"Pre-MDR","OM","hydrophobic","hydrophilic","neutral","acidic","polar","neg",19.063,-0.298,-2.11,5.35024,-3.198,-1.85,70,85,-0.477,7,7,35,0.133079847908745,"loop",-2.66666666666667,4.97,7.18700589334483e-05,9.70142977291842,188179.926264407,Inf,0.763784339928386,36,-28,0,-4,-24,0,0,0,0,0,0,-2,2,0,0,0,0,2,0,-2,4,4,0,0,4,-0.0754812563323201,-0.545219638242894,0.194867386854508,-0.545268542199489,-0.484293193717278,0.736842105263158,-0.392915980230643,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","147/150","L:N:R:F:H:Y:W:A:G",12.1451538387252,0.919026337424193,119.468044436159,0.101660271548308,5.01153666069528e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","ASP",0,"SRR2469373,SAMN04099730","SRR2469373","lineage4.1.1.3","","","pnca_p.tyr41asp","A","-","TYR","YA41","pnca_complex.pdb"
|
||||
"H43D","L3","PZA","H","H43",43,"D",0,"Pre-XDR","OM","hydrophobic","hydrophilic","basic","acidic","pos","neg",19.543,-0.912,-1.596,3.54222,-0.971,-1.78,27,63,1.071,1,1,40,0.178571428571428,"strand",-0.733333333333333,4.75,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,6,-24,0,-2,-22,0,0,0,0,0,0,2,0,0,0,0,0,-2,0,-2,-6,0,0,0,0,-0.231003039513678,-0.412403100775194,0.129015362874147,-0.165558397271952,-0.465968586387435,0.284210526315789,0.343269230769231,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.59,1.183,"3:1","147/150","Y:F:H:Q:L:N:V:R:I:C:A:M:T:P:D",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987746,NA,4692673.51081392,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","other_mutations_pyrazinamide","ASP",0,"ERR2510343","ERR2510343","lineage3","pk","Pakistan","pnca_p.his43asp","A","E","HIS","HA43","pnca_complex.pdb"
|
||||
"H43P","L4","PZA","H","H43",43,"P",NA,"MDR","DM","hydrophobic","hydrophilic","basic","non-polar","pos","non-polar",19.543,-1.878,-0.892,2.10447,-1.154,0.4,30,66,1.071,1,1,40,0.178571428571428,"strand",-0.733333333333333,4.75,NA,NA,NA,NA,NA,18,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,-4,2,-3,-4,4,0,4,-4,-0.475683890577508,-0.230490956072351,0.0766493782734431,-0.196760443307758,0.224719101123595,0.315789473684211,0.343269230769231,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",0.59,1.183,"3:1","147/150","Y:F:H:Q:L:N:V:R:I:C:A:M:T:P:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","PRO",0,"SAMN02414879","SRR1162792_SRR1166871_SRR1144753_SRR1146380","lineage4.6.1.2","se","Sweden","pnca_p.his43pro","A","E","HIS","HA43","pnca_complex.pdb"
|
||||
"H43Y","L1","PZA","H","H43",43,"Y",NA,"Sensitive","OM","hydrophobic","hydrophobic","basic","neutral","pos","polar",19.543,-1.341,0.984,-0.653353,-0.455,1.37,-33,66,1.071,1,1,40,0.178571428571428,"strand",-0.733333333333333,4.75,NA,NA,NA,NA,NA,-22,-6,0,-2,-4,0,0,0,0,0,0,-2,2,0,0,0,0,-1,0,-2,0,4,0,-2,2,-0.339665653495441,0.836734693877551,-0.125615819426286,-0.0775788576300085,0.769662921348315,-0.354838709677419,0.343269230769231,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","neutral",0.59,1.183,"3:1","147/150","Y:F:H:Q:L:N:V:R:I:C:A:M:T:P:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","TYR",0,"ERR3276024","ERR3276024","lineage1.2.1","nl","Netherlands","pnca_p.his43tyr","A","E","HIS","HA43","pnca_complex.pdb"
|
||||
"V44A","L4","PZA","V","V44",44,"A",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",17.073,-1.246,-2.343,3.40395,-1.839,-2.01,57,75,-0.194,6,6,13,0.0747126436781609,"strand",1.73333333333333,5.57,7.18700589334483e-05,9.70142977291842,188179.926264644,Inf,0.763784339928386,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,-0.315602836879433,-0.605426356589147,0.123979268497002,-0.313554987212276,-0.526178010471204,0.6,-0.159802306425041,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","149/150","T:A:Q:C:R:I:L:V",12.1451538387265,0.919026337424235,119.468044436235,0.101660271548254,5.01153666062486e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","ALA",0,"ERR1035326","ERR1035326","lineage4.7","br","Brazil","pnca_p.val44ala","A","E","VAL","VA44","pnca_complex.pdb"
|
||||
"V44G","L2","PZA","V","V44",44,"G",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",17.073,-1.136,-2.975,5.19527,-3.88,-2.43,74,85,-0.194,6,6,13,0.0747126436781609,"strand",1.73333333333333,5.57,0.0005030904125341,12.1451137320977,12.1450773794064,12.1416664151504,11.0019205274607,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-2,0,4,0,5,19,-0.28774062816616,-0.768733850129199,0.18922304212589,-0.6615515771526,-0.636125654450262,0.778947368421053,-0.159802306425041,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","149/150","T:A:Q:C:R:I:L:V",2.4969239337312,0.0028293218857323,0.83629495944555,2.98569769616526,2.61610833082893,84.8371270838078,1.08440158608155,0.0022516005975125,2.64750864476206,1.98635523014012,127.719946645636,0.0009101752788745,"lineage2","dr_mutations_pyrazinamide","GLY",0,"SAMN03653308,SRS935929","SRR2024890","lineage2.2.1.1","cn","China","pnca_p.val44gly","A","E","VAL","VA44","pnca_complex.pdb"
|
||||
"V45A","L2","PZA","V","V45",45,"A",0,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",13.521,-2.228,-2.783,3.60576,-1.973,-2.23,39,66,-0.375,6,6,0,0,"strand",3.4,8.66,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,6,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,1,2,0,0,7,-0.564336372847011,-0.719121447028424,0.131329627983887,-0.336402387041773,-0.583769633507853,0.410526315789474,-0.308896210873147,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.244,"7:6","149/150","F:A:Y:M:I:V:L",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987758,NA,4692673.5108122,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","ALA",0,"SAMEA2534091,ERS457493","ERR551648_ERR551649","lineage2.2.1","uz","Nukus","pnca_p.val45ala","A","E","VAL","VA45","pnca_complex.pdb"
|
||||
"V45E","L2","PZA","V","V45",45,"E",NA,"Pre-XDR","OM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",13.521,-1.593,-3.389,4.70839,-4.817,-1.92,80,91,-0.375,6,6,0,0,"strand",3.4,8.66,NA,NA,NA,NA,NA,-32,-34,0,-2,-32,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,-1,0,0,0,0,-0.403495440729483,-0.875710594315245,0.171489812717167,-0.821312872975277,-0.50261780104712,0.842105263157895,-0.308896210873147,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.244,"7:6","149/150","F:A:Y:M:I:V:L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","GLU",0,"SAMN02360628","SRR1003108_SRR1003107","lineage2.2.1","kr","South Korea","pnca_p.val45glu","A","E","VAL","VA45","pnca_complex.pdb"
|
||||
"V45G","L3","PZA","V","V45",45,"G",0,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",13.521,-1.938,-3.523,5.16465,-3.509,-3.55,80,91,-0.375,6,6,0,0,"strand",3.4,8.66,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,10,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,1,4,0,5,25,-0.490881458966565,-0.910335917312662,0.188107795074265,-0.598294970161978,-0.929319371727749,0.842105263157895,-0.308896210873147,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.244,"7:6","149/150","F:A:Y:M:I:V:L",-8.98740878149642,0.940032862253634,119.468044435493,-0.0752285585987741,NA,4692673.51081481,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","dr_mutations_pyrazinamide","GLY",0,"ERR2510298","ERR2510298","lineage3","pk","Pakistan","pnca_p.val45gly","A","E","VAL","VA45","pnca_complex.pdb"
|
||||
"A46E","L2","PZA","A","A46",46,"E",1,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",11.322,-1.749,-1.747,2.18089,-5.096,-1.21,79,85,-0.822,8,8,0,0,"strand",1.76666666666667,8.13,7.18700589334483e-05,9.70142977291842,188179.926264417,Inf,0.763784339928386,-36,-32,0,0,-32,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,1,-5,-8,0,-8,-7,-0.443009118541033,-0.451421188630491,0.0794327610195296,-0.868883205456095,-0.316753926701571,0.831578947368421,-0.677100494233937,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.914,-0.779,"8:8","149/150","Q:F:Y:I:V:L:T:A:S:G",12.1451538387253,0.919026337424195,119.468044436163,0.101660271548305,5.01153666069207e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","GLU",0,"SRR5817469","SRR5817469","lineage2.2.1","au","Australia","pnca_p.ala46glu","A","E","ALA","AA46","pnca_complex.pdb"
|
||||
"A46P","L2","PZA","A","A46",46,"P",1,"XDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",11.322,-2.408,-0.221,2.09234,-4.42,0.65,81,91,-0.822,8,8,0,0,"strand",1.76666666666667,8.13,0.0001437401178668,19.411022297013,511754.463552641,Inf,4.73122070382274,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,-10,0,-8,-4,-2,0,0,-3,-0.609929078014184,-0.0571059431524547,0.0762075772696479,-0.753623188405797,0.365168539325843,0.852631578947368,-0.677100494233937,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.914,-0.779,"8:8","149/150","Q:F:Y:I:V:L:T:A:S:G",13.1456002256206,0.924803768447002,139.277183326574,0.0943844491369209,0.0001628371344451,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","PRO",0,"TB-17","ERR2851370","lineage2.2.1","lb","Lebanon","pnca_p.ala46pro","A","E","ALA","AA46","pnca_complex.pdb"
|
||||
"A46T","L4","PZA","A","A46",46,"T",0,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",11.322,-1.355,-1.192,-1.34478,-2.283,-0.62,-6,53,-0.822,8,8,0,0,"strand",1.76666666666667,8.13,0.0001437401178668,4.85029436501262,4.85029432717733,4.84956447904112,0.0881192621863332,-2,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-9,0,-2,-7,-2,0,-2,-3,-0.343211752786221,-0.308010335917313,-0.258551872644774,-0.38925831202046,-0.162303664921466,-0.0645161290322581,-0.677100494233937,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.914,-0.779,"8:8","149/150","Q:F:Y:I:V:L:T:A:S:G",1.57903938912402,0.264247566376724,1.41439286276584,1.11640791656443,0.191756076673846,122.683760398934,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage4","other_mutations_pyrazinamide","THR",0,"ERR2041741","ERR2041741","lineage4.1.2.1","rs","Serbia","pnca_p.ala46thr","A","E","ALA","AA46","pnca_complex.pdb"
|
||||
"A46V","L5","PZA","A","A46",46,"V",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",11.322,-2.718,1.017,-2.38862,-1.487,0.44,59,75,-0.822,8,8,0,0,"strand",1.76666666666667,8.13,0.0004312203536006,9.712,9.7119892297561,9.70929820233251,7.20065367726982,-2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-7,0,1,-8,-2,0,2,-7,-0.688449848024316,0.864795918367347,-0.459244020610628,-0.253537936913896,0.247191011235955,0.621052631578947,-0.677100494233937,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-0.914,-0.779,"8:8","149/150","Q:F:Y:I:V:L:T:A:S:G",2.27336112535402,0.0086576033028962,0.865947753893075,2.62528670480821,1.89450831676925,70.0912742677304,0.987308673731182,0.0095462527031996,2.02016707341074,1.39065774214338,107.435987551185,0.0072877030810549,"lineage5","dr_mutations_pyrazinamide","VAL",0,"ERR502508","ERR502508","lineage5","gh","Ghana","pnca_p.ala46val","A","E","ALA","AA46","pnca_complex.pdb"
|
||||
"T47A","L2","PZA","T","T47",47,"A",1,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",7.503,-2.172,-1.71,2.87617,-2.276,-0.77,58,75,-0.925,8,8,0,0,"strand",-0.933333333333333,10.3,0.0008624407072013,4.85840707964602,4.85840704522462,4.85767795624558,6.99654790120219,4,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,4,2,12,0,6,9,-0.550151975683891,-0.441860465116279,0.10475637205982,-0.388064791133845,-0.201570680628272,0.610526315789474,-0.761943986820428,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.028,-0.872,"9:8","149/150","C:K:I:T:S",1.58071061571228,0.0062231325401172,0.577790125858072,2.73578682807148,1.51864513964879,15.5428887748675,0.686493900966672,0.0089768751657447,2.04687481416212,1.29740576993775,18.1865471788576,0.0081667056971109,"lineage2","dr_mutations_pyrazinamide","ALA",0,"2564N-sc-2012-10-11T13:40:44Z-1494346,ERR234668","ERR234668","lineage2.2.1","ru","Russia,Samara","pnca_p.thr47ala","A","E","THR","TA47","pnca_complex.pdb"
|
||||
"T47I","L4","PZA","T","T47",47,"I",0,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",7.503,-2.112,-0.155,-1.0395,-1.52,-0.62,72,85,-0.925,8,8,0,0,"strand",-0.933333333333333,10.3,0.0003593502946672,1.21225820016821,1.21225918982515,1.212214074125,7.19297638498975e-25,-32,2,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,-2,0,-3,-1,2,0,0,4,-0.534954407294833,-0.0400516795865633,-0.199857725140352,-0.259164535379369,-0.162303664921466,0.757894736842105,-0.761943986820428,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.028,-0.872,"9:8","149/150","C:K:I:T:S",0.192485717774877,0.863268405978747,1.11770505415734,0.172215126932566,0.061955084955231,8.19905671742341,0.083595130527928,1,0,0.0246053772172713,12.260612593354,0.999999999999323,"lineage4","other_mutations_pyrazinamide","ILE",0,"SAMN10961346","SRR8651588","lineage4.4.2","cn","China:Wenzhou","pnca_p.thr47ile","A","E","THR","TA47","pnca_complex.pdb"
|
||||
"T47N","L3","PZA","T","T47",47,"N",0,"Pre-XDR","OM","hydrophobic","hydrophilic","neutral","neutral","polar","polar",7.503,-0.208,-1.831,0.956982,-5.182,-1.29,77,85,-0.925,8,8,0,0,"strand",-0.933333333333333,10.3,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-26,2,0,0,2,0,0,0,0,-4,0,-2,2,0,0,0,0,0,0,1,-1,-4,0,-6,2,-0.0526849037487335,-0.47312661498708,0.0348553675361854,-0.883546462063086,-0.337696335078534,0.810526315789474,-0.761943986820428,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.028,-0.872,"9:8","149/150","C:K:I:T:S",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987742,NA,4692673.51081218,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","other_mutations_pyrazinamide","ASN",0,"ERR2510633","ERR2510633","lineage3","pk","Pakistan","pnca_p.thr47asn","A","E","THR","TA47","pnca_complex.pdb"
|
||||
"T47P","L3","PZA","T","T47",47,"P",0,"MDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",7.503,-1.892,-1.493,1.93613,-5.056,-1.52,87,91,-0.925,8,8,0,0,"strand",-0.933333333333333,10.3,0.0001437401178668,1.2119588062211,4.5970013133425e-05,0,1.01056822389159e-25,4,2,0,0,2,0,0,0,0,2,2,0,2,0,0,0,0,4,0,2,2,8,0,6,0,-0.479229989868288,-0.38578811369509,0.0705180690418782,-0.862063086104007,-0.397905759162304,0.91578947368421,-0.761943986820428,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.028,-0.872,"9:8","149/150","C:K:I:T:S",-9.98752126245062,0.942832958100734,139.277183325398,-0.071709672926946,NA,144471.70631486,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage3","dr_mutations_pyrazinamide","PRO",0,"ERR2510424","ERR2510424","lineage3","pk","Pakistan","pnca_p.thr47pro","A","E","THR","TA47","pnca_complex.pdb"
|
||||
"K48E","L2","PZA","K","K48",48,"E",NA,"XDR","DM","hydrophobic","hydrophilic","basic","acidic","pos","neg",7.546,-1.91,-1.833,2.3862,-1.921,-1.95,53,75,-0.823,8,8,19,0.0805084745762711,"strand",-2.7,6.78,0.000646830530401,6.07150379106992,6.07150374077153,6.07036843596735,6.87801392972404,28,-28,0,0,-28,0,0,0,0,2,0,2,0,0,0,0,0,1,0,0,1,0,0,0,0,-0.483789260385005,-0.473643410852713,0.0869105981249863,-0.327536231884058,-0.510471204188482,0.557894736842105,-0.677924217462932,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.914,-0.779,"8:8","149/150","I:K:R:L:Q:A",1.80360630763137,0.00720618942243,0.671193623356544,2.68716245933892,1.60530087074952,24.5460966015952,0.783296270528047,0.0099794518593429,2.00089331252028,1.30550120941319,30.6177596174465,0.0087262477054536,"lineage2","dr_mutations_pyrazinamide","GLU",0,"SAMN02360604","SRR1049046_SRR1049047_SRR1013650_SRR1013651","lineage2.2.2","kr","South Korea","pnca_p.lys48glu","A","E","LYS","KA48","pnca_complex.pdb"
|
||||
"K48N","L3","PZA","K","K48",48,"N",0,"Pre-XDR","OM","hydrophobic","hydrophilic","basic","neutral","pos","polar",7.546,-1.168,-2.178,2.2078,-2.869,-1.86,67,80,-0.823,8,8,19,0.0805084745762711,"strand",-2.7,6.78,0.0001437401178668,1.2119588062211,4.59700131334259e-05,0,1.01056822389159e-25,46,24,0,0,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,1,2,0,0,-2,-0.295845997973658,-0.562790697674419,0.0804128817954676,-0.489173060528559,-0.486910994764398,0.705263157894737,-0.677924217462932,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.914,-0.779,"8:8","149/150","I:K:R:L:Q:A",-9.9875212624506,0.942832958100734,139.277183325398,-0.0717096729269463,NA,144471.706314829,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage3","other_mutations_pyrazinamide","ASN",0,"ERR2510272","ERR2510272","lineage3","pk","Pakistan","pnca_p.lys48asn","A","E","LYS","KA48","pnca_complex.pdb"
|
||||
"K48Q","L4","PZA","K","K48",48,"Q",NA,"Pre-MDR","OM","hydrophobic","hydrophilic","basic","neutral","pos","polar",7.546,-1.653,-1.537,1.38977,-0.028,-1.89,-61,82,-0.823,8,8,19,0.0805084745762711,"strand",-2.7,6.78,NA,NA,NA,NA,NA,28,24,0,0,24,0,0,0,0,0,0,2,-2,0,0,0,0,2,0,1,1,2,0,2,-4,-0.418693009118541,-0.397157622739018,0.0506184485609598,-0.00477408354646206,-0.494764397905759,-0.655913978494624,-0.677924217462932,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.914,-0.779,"8:8","149/150","I:K:R:L:Q:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLN",0,"ERR502532","ERR502532","lineage4.3","gh","Ghana","pnca_p.lys48gln","A","E","LYS","KA48","pnca_complex.pdb"
|
||||
"K48T","L4","PZA","K","K48",48,"T",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","basic","neutral","pos","polar",7.546,-2.085,-1.92,2.8148,0.126,-1.82,63,80,-0.823,8,8,19,0.0805084745762711,"strand",-2.7,6.78,0.0011499209429351,3.77937043282743,3.77937041554348,3.77886521261346,6.25531101162114,58,24,0,0,24,0,0,0,0,2,0,2,0,0,0,0,0,1,0,-1,2,0,0,4,-2,-0.528115501519757,-0.496124031007752,0.102521143073595,0.106418918918919,-0.476439790575916,0.663157894736842,-0.677924217462932,"Destabilising","Destabilising","Destabilising","Stabilising","Destabilising","effect",-0.914,-0.779,"8:8","149/150","I:K:R:L:Q:A",1.32955743902485,0.0083975040006128,0.504450465587511,2.6356550934617,1.34958413760038,10.1533105792859,0.577419461128044,0.0115372080052907,1.93789927736761,1.1946979725449,11.4155701668003,0.0123821507399189,"lineage4","dr_mutations_pyrazinamide","THR",0,"ERR751528","ERR751528","lineage4.3.3","pe","","pnca_p.lys48thr","A","E","LYS","KA48","pnca_complex.pdb"
|
||||
"D49A","L2","PZA","D","D49",49,"A",1,"MDR","DM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",3.452,-3.348,-0.451,-2.06724,-1.72,-1.56,73,85,-1.188,9,9,7,0.0362694300518134,"strand",-1.53333333333333,7.89,0.0004312203536006,58.3312262958281,1393450.9402217,Inf,23.547488635408,20,28,0,0,28,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,0,-5,0,0,2,3,-0.848024316109423,-0.116537467700258,-0.397454433592248,-0.293265132139812,-0.408376963350785,0.768421052631579,-0.978583196046129,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","T:D",14.1472939191285,0.915018435774987,132.576060676241,0.106710773023171,4.17896182049081,NA,1.7659011066874,2.48532104922106e-05,4.60461750194108,5.71767556863798,Inf,1.21868387173808e-06,"lineage2","dr_mutations_pyrazinamide","ALA",0,"ERR2517097","ERR2517097","lineage2.2.1.2","gb","UK","pnca_p.asp49ala","A","E","ASP","DA49","pnca_complex.pdb"
|
||||
"D49E","L4","PZA","D","D49",49,"E",NA,"MDR","DM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",3.452,0.251,-0.472,-0.696543,-2.35,-0.28,75,85,-1.188,9,9,7,0.0362694300518134,"strand",-1.53333333333333,7.89,0.0002156101768003,9.70466975178797,9.70465898653052,9.70194990589383,2.29168245016684,-22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-1,-6,-10,0,-6,-8,0.112556053811659,-0.121963824289406,-0.133919672383296,-0.400682011935209,-0.0732984293193717,0.789473684210526,-0.978583196046129,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","T:D",2.27260607808817,0.0634455902260897,1.22442760158496,1.8560559033024,0.929172866365932,208.881603004782,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage4","dr_mutations_pyrazinamide","GLU",0,"ERR1555056","ERR1555056","lineage4.3.3","","","pnca_p.asp49glu","A","E","ASP","DA49","pnca_complex.pdb"
|
||||
"D49G","L4","PZA","D","D49",49,"G",1,"XDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",3.452,-3.463,-1.157,0.460983,-2.415,-1.08,83,91,-1.188,9,9,7,0.0362694300518134,"strand",-1.53333333333333,7.89,0.0005030904125341,29.1630847029077,29.1630732435189,29.1293325978315,18.6717493808583,28,30,0,0,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,6,0,9,19,-0.877152988855116,-0.298966408268734,0.0167900042978169,-0.411764705882353,-0.282722513089005,0.873684210526316,-0.978583196046129,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","T:D",3.37290329402599,0.0017890770828182,1.07995768762032,3.12318096596744,4.97876379054023,550.894323518622,1.46483345924118,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,1.55265977742841e-05,"lineage4","dr_mutations_pyrazinamide","GLY",0,"ERR2516206","ERR2516206","lineage4.3.3","be","Belgium","pnca_p.asp49gly","A","E","ASP","DA49","pnca_complex.pdb"
|
||||
"D49N","L4","PZA","D","D49",49,"N",NA,"MDR","DM","hydrophilic","hydrophilic","acidic","neutral","neg","polar",3.452,-1.932,-1.684,-0.334669,-2.857,-1.45,76,85,-1.188,9,9,7,0.0362694300518134,"strand",-1.53333333333333,7.89,0.0005749604714675,77.8405735976381,1394626.35223403,Inf,33.1802749271012,0,32,0,0,32,0,0,0,0,-2,0,0,-2,0,0,0,0,-6,0,0,-6,-2,0,0,0,-0.48936170212766,-0.435142118863049,-0.064344574329001,-0.487127024722933,-0.379581151832461,0.8,-0.978583196046129,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","T:D",14.148137089499,0.901927875940367,114.814237034002,0.123226330244298,82.9586021424457,NA,1.89120602753485,7.2326389241213e-07,6.1407032156959,8.29603358299821,Inf,8.39983046099388e-09,"lineage4","dr_mutations_pyrazinamide","ASN",0,"ERR775328","ERR775328","lineage4.3.3","pe","","pnca_p.asp49asn","A","E","ASP","DA49","pnca_complex.pdb"
|
||||
"D49Y","L4","PZA","D","D49",49,"Y",1,"MDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","polar",3.452,-1.855,-0.739,-2.66914,-0.988,-1.64,85,91,-1.188,9,9,7,0.0362694300518134,"strand",-1.53333333333333,7.89,7.18700589334483e-05,9.70142977291842,188179.926264654,Inf,0.763784339928386,-42,20,0,0,20,0,0,0,0,-2,0,0,-4,0,0,0,0,-14,0,-4,-10,-14,0,-12,-12,-0.469858156028369,-0.190956072351421,-0.513177728216565,-0.16845694799659,-0.429319371727749,0.894736842105263,-0.978583196046129,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","T:D",12.1451538387266,0.919026337424238,119.468044436239,0.10166027154825,5.0115366606202e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","TYR",0,"ERR2510658","ERR2510658","lineage4.3.3","it","Italy","pnca_p.asp49tyr","A","E","ASP","DA49","pnca_complex.pdb"
|
||||
"H51D","L4","PZA","H","H51",51,"D",1,"Pre-MDR","DM","hydrophobic","hydrophilic","basic","acidic","pos","neg",5.661,-1.821,-2.198,4.34022,-1.814,-1.67,82,91,-1.189,9,9,1,0.0044642857142857,"strand",1.36666666666667,6.97,0.0030185424752048,414.608472400514,10454944.8180635,Inf,198.436695636911,16,-28,0,0,-28,0,0,0,0,2,0,2,0,0,0,0,0,4,0,2,2,2,0,4,4,-0.461246200607903,-0.567958656330749,0.158080259908653,-0.309292412617221,-0.43717277486911,0.863157894736842,-0.979406919275124,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","H:Y",16.1625856127882,0.905545449550291,136.210261834263,0.118659089228199,26043.5577250657,1.23987518604392e+26,2.61763817252677,4.4914140361843e-33,32.347616908121,53.6831618314533,Inf,4.58127580776551e-45,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR552878","ERR552878","lineage4.4.1.1","sz","Swaziland","pnca_p.his51asp","A","B","HIS","HA51","pnca_complex.pdb"
|
||||
"H51N","L4","PZA","H","H51",51,"N",NA,"MDR","DM","hydrophobic","hydrophilic","basic","neutral","pos","polar",5.661,-1.063,-2.215,1.03208,-2.201,-1.83,70,85,-1.189,9,9,1,0.0044642857142857,"strand",1.36666666666667,6.97,NA,NA,NA,NA,NA,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,2,0,-0.269250253292806,-0.57235142118863,0.0375906001646282,-0.375277067348679,-0.479057591623037,0.736842105263158,-0.979406919275124,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","H:Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","ASN",0,"ERR2516444","ERR2516444","lineage4.1.2.1","nl","Netherlands","pnca_p.his51asn","A","B","HIS","HA51","pnca_complex.pdb"
|
||||
"H51P","L2","PZA","H","H51",51,"P",1,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","non-polar","pos","non-polar",5.661,-2.624,-1.762,2.82591,-1.529,-0.98,82,91,-1.189,9,9,1,0.0044642857142857,"strand",1.36666666666667,6.97,0.0002156101768003,2.42493692178301,2.42493957425811,2.42473736947533,4.31445715363782e-25,28,0,0,0,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,-2,2,4,0,6,2,-0.664640324214792,-0.455297157622739,0.10292579345712,-0.260699062233589,-0.256544502617801,0.863157894736842,-0.979406919275124,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","H:Y",0.885806606247285,0.469406216824825,1.22442753211922,0.723445514749364,0.112662937620387,25.3270547471172,0.384700446081433,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,0.999999999999476,"lineage2","dr_mutations_pyrazinamide","PRO",0,"0111X-sc-2012-10-11T13:37:09Z-1494123,ERR234637","ERR234637","lineage2.2.1","ru","Russia,Samara","pnca_p.his51pro","A","B","HIS","HA51","pnca_complex.pdb"
|
||||
"H51Q","L2","PZA","H","H51",51,"Q",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","neutral","pos","polar",5.661,-1.42,-1.714,-1.10489,-1.18,-1.75,65,80,-1.189,9,9,1,0.0044642857142857,"strand",1.36666666666667,6.97,0.0004312203536006,24.2923336141533,24.29233342416,24.2833096922897,14.1977442691074,0,0,0,0,0,0,0,0,0,-4,0,-2,-2,0,0,0,0,2,0,2,0,-6,0,-2,-4,-0.3596757852077,-0.442894056847545,-0.212429823886795,-0.201193520886615,-0.458115183246073,0.684210526315789,-0.979406919275124,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","H:Y",3.19016080361872,0.0035954281300595,1.09565968954934,2.91163472932995,3.91551977432275,465.531063220863,1.38546923679232,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,0.0001645676755807,"lineage2","dr_mutations_pyrazinamide","GLN",0,"SRS935961,SAMN03653227","SRR2024921","lineage2.2.1","cn","China","pnca_p.his51gln","A","B","HIS","HA51","pnca_complex.pdb"
|
||||
"H51R","L4","PZA","H","H51",51,"R",NA,"MDR","DM","hydrophobic","hydrophilic","basic","basic","pos","pos",5.661,-0.862,-1.766,2.7037,-1.252,-1.48,74,85,-1.189,9,9,1,0.0044642857142857,"strand",1.36666666666667,6.97,0.001293661060802,24.3908629441624,24.3908627908724,24.3817411979725,51.2029377973759,-32,-2,0,0,-2,0,0,0,0,0,0,2,-2,0,0,0,0,-10,0,-2,-9,0,0,2,-2,-0.218338399189463,-0.456330749354005,0.0984746392383394,-0.213469735720375,-0.387434554973822,0.778947368421053,-0.979406919275124,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.178,"9:9","149/150","H:Y",3.19420858638167,4.47975895465189e-07,0.632848408547862,5.04735185115046,8.04148719104289,105.368248724156,1.38722716584297,1.45797891284227e-09,8.83624875729546,6.89001106760784,131.337835841673,8.32938806400108e-13,"lineage4","dr_mutations_pyrazinamide","ARG",0,"ERR779915","ERR779915","lineage4.3.3","pe","","pnca_p.his51arg","A","B","HIS","HA51","pnca_complex.pdb"
|
||||
"H51Y","L4","PZA","H","H51",51,"Y",NA,"MDR","DM","hydrophobic","hydrophobic","basic","neutral","pos","polar",5.661,-2.046,0.122,-1.10156,-0.891,0.41,60,80,-1.189,9,9,1,0.0044642857142857,"strand",1.36666666666667,6.97,0.0002156101768003,9.70466975178797,9.70465898653051,9.70194990589383,2.29168245016684,-18,-6,0,0,-6,0,0,0,0,2,0,2,0,0,0,0,0,-4,0,2,-6,-2,0,4,-4,-0.518237082066869,0.103741496598639,-0.21178958701838,-0.151918158567775,0.230337078651685,0.631578947368421,-0.979406919275124,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-1.221,-1.178,"9:9","149/150","H:Y",2.27260607808817,0.0634455902260897,1.22442760158496,1.8560559033024,0.929172866365331,208.881603005168,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage4","dr_mutations_pyrazinamide","TYR",0,"ERR2707212","ERR2707212","lineage4.3.3","cd","Democratic Republic of Congo","pnca_p.his51tyr","A","B","HIS","HA51","pnca_complex.pdb"
|
||||
"I52T","L4","PZA","I","I52",52,"T",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",12.353,0.529,-1.196,0.950846,-1.262,-1.33,26,63,-0.518,7,7,82,0.416243654822335,"loop",-0.733333333333333,4.09,NA,NA,NA,NA,NA,6,0,0,0,0,0,0,0,0,-2,0,0,-2,0,0,0,0,-1,0,-3,0,0,0,0,-2,0.237219730941704,-0.309043927648579,0.0346318810597397,-0.215174765558397,-0.348167539267016,0.273684210526316,-0.42668863261944,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","149/150","N:L:V:I:S:T:P:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","THR",0,"ERR1465772","ERR1465772","lineage4.1.2.1","ch","Switzerland","pnca_p.ile52thr","A","S","ILE","IA52","pnca_complex.pdb"
|
||||
"D53E","L4","PZA","D","D53",53,"E",0,"Sensitive","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",13.16,-0.123,-0.145,0.906346,-0.467,0.14,-39,66,0.498,3,3,103,0.533678756476684,"loop",-0.2,3.83,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-6,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,-2,0,-2,0,-0.0311550151975683,-0.0374677002583979,0.0330110941950335,-0.0796248934356351,0.0786516853932584,-0.419354838709677,0.159615384615385,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","neutral",0.225,0.59,"4:3","148/150","D:P:S:G:A:I:R:L:N:V:Q:E:H",-8.9874087814964,0.940032862253633,119.468044435491,-0.0752285585987752,NA,4692673.51081297,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","GLU",0,"SAMN03648619,SRR2101372","SRR2101372","lineage4.3.4.2.1","","","pnca_p.asp53glu","A","-","ASP","DA53","pnca_complex.pdb"
|
||||
"P54A","L2","PZA","P","P54",54,"A",NA,"MDR","OM","hydrophilic","hydrophobic","non-polar","non-polar","non-polar","non-polar",9.765,-1.785,-1.416,2.25796,-1.236,-1.58,25,63,-0.129,5,5,8,0.050314465408805,"loop",-1.83333333333333,4.91,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,0,0,0,1,-0.452127659574468,-0.365891472868217,0.0822398181804938,-0.21074168797954,-0.413612565445026,0.263157894736842,-0.106260296540362,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","148/150","Q:E:H:K:V:N:P:A:G:S:D",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987755,NA,4692673.51081266,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","ALA",0,"SRR671771,BGI_GZ10115","SRR671771","lineage2.2.1","cn","China","pnca_p.pro54ala","A","-","PRO","PA54","pnca_complex.pdb"
|
||||
"P54L","L4","PZA","P","P54",54,"L",1,"Pre-XDR","DM","hydrophilic","hydrophobic","non-polar","non-polar","non-polar","non-polar",9.765,-1.77,-0.0969999999999999,3.46567,-0.95,-0.4,33,66,-0.129,5,5,8,0.050314465408805,"loop",-1.83333333333333,4.91,0.0023717119448037,22.0580357142857,22.0580329576526,22.0491621136906,93.2270586345296,-16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-10,0,-6,-4,-2,0,-2,-2,-0.448328267477204,-0.0250645994832041,0.126227245245085,-0.161977834612106,-0.104712041884817,0.347368421052632,-0.106260296540362,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","148/150","Q:E:H:K:V:N:P:A:G:S:D",3.09367684201887,7.52888191547387e-12,0.451813758844646,6.84723911447463,9.73717599077908,59.1593944160241,1.34356683555525,6.54726814958295e-16,15.1839398717709,8.90776823243485,65.3653818513773,4.6626285706706e-22,"lineage4","dr_mutations_pyrazinamide","LEU",0,"ERR1873531","ERR1873531","lineage4.1.1.3","za","South Africa","pnca_p.pro54leu","A","-","PRO","PA54","pnca_complex.pdb"
|
||||
"P54Q","L2","PZA","P","P54",54,"Q",1,"XDR","DM","hydrophilic","hydrophilic","non-polar","neutral","non-polar","polar",9.765,-0.084,-1.251,9.94224,-1.258,-1.64,8,53,-0.129,5,5,8,0.050314465408805,"loop",-1.83333333333333,4.91,0.0003593502946672,19.4256842105263,19.4256680571768,19.4169790983636,9.87561363723508,-16,0,0,0,0,0,0,0,0,-3,0,-1,-2,0,0,0,0,-8,0,-8,-4,-10,0,-8,-6,-0.0212765957446808,-0.323255813953488,0.362118022421492,-0.214492753623188,-0.429319371727749,0.0842105263157895,-0.106260296540362,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","148/150","Q:E:H:K:V:N:P:A:G:S:D",2.96659528728018,0.0079500503166053,1.11770528264822,2.65418382943607,2.872152136516,380.097158975598,1.28837632444196,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,0.0016748373055023,"lineage2","dr_mutations_pyrazinamide","GLN",0,"ERR158587,2129Q-sc-2012-04-10T09:16:19Z-1397799","ERR158587","lineage2.2.1","ru","Russia,Samara","pnca_p.pro54gln","A","-","PRO","PA54","pnca_complex.pdb"
|
||||
"P54R","L4","PZA","P","P54",54,"R",1,"Pre-XDR","OM","hydrophilic","hydrophilic","non-polar","basic","non-polar","pos",9.765,-0.957,-0.884,7.06229,-1.269,-0.35,33,66,-0.129,5,5,8,0.050314465408805,"loop",-1.83333333333333,4.91,0.0001437401178668,19.411022297013,511754.463552342,Inf,4.73122070382274,-40,-24,0,0,-24,0,0,0,0,-4,0,0,-4,0,0,0,0,-19,0,-8,-16,-12,0,-12,-12,-0.242401215805471,-0.228423772609819,0.257223974533614,-0.216368286445013,-0.0916230366492146,0.347368421052632,-0.106260296540362,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","148/150","Q:E:H:K:V:N:P:A:G:S:D",13.14560022562,0.924803768446982,139.27718332653,0.0943844491369463,0.0001628371344461,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","other_mutations_pyrazinamide","ARG",0,"SAMN10961390","SRR8651581","lineage4.5","cn","China:Wenzhou","pnca_p.pro54arg","A","-","PRO","PA54","pnca_complex.pdb"
|
||||
"P54S","L2","PZA","P","P54",54,"S",NA,"Pre-XDR","OM","hydrophilic","hydrophilic","non-polar","neutral","non-polar","polar",9.765,-0.307,-1.837,1.58683,-1.286,-1.76,26,63,-0.129,5,5,8,0.050314465408805,"loop",-1.83333333333333,4.91,0.0002156101768003,9.70466975178797,9.70465898653047,9.70194990589383,2.29168245016684,0,-4,0,0,-4,0,0,0,0,-6,0,2,-8,0,0,0,0,-7,0,-3,-2,-6,0,-6,-4,-0.0777608915906788,-0.474677002583979,0.0577958027083531,-0.21926683716965,-0.460732984293194,0.273684210526316,-0.106260296540362,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","148/150","Q:E:H:K:V:N:P:A:G:S:D",2.27260607808816,0.0634455902260904,1.22442760158496,1.8560559033024,0.929172866366028,208.88160300516,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage2","other_mutations_pyrazinamide","SER",0,"ERR1023297","ERR1023297","lineage2.2.1","","","pnca_p.pro54ser","A","-","PRO","PA54","pnca_complex.pdb"
|
||||
"G55S","L4","PZA","G","G55",55,"S",NA,"Sensitive","OM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",12.27,0.559,-0.912,0.441313,-1.035,0.06,5,53,-1.036,9,9,36,0.346153846153846,"helix",-1.83333333333333,3.54,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-2,0,-4,0,0,0,-3,-7,0.25067264573991,-0.235658914728682,0.01607358008144,-0.176470588235294,0.0337078651685393,0.0526315789473684,-0.85337726523888,"Stabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-1.124,-0.993,"9:9","148/150","T:H:S:A:G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","SER",0,"ERR2229463","ERR2229463","lineage4.8","dk","","pnca_p.gly55ser","A","G","GLY","GA55","pnca_complex.pdb"
|
||||
"D56E","L2","PZA","D","D56",56,"E",NA,"Sensitive","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",11.133,-0.01,0.434,-0.915918,-0.032,0.09,-78,87,2.366,1,1,148,0.766839378238342,"helix",-2.36666666666667,3.47,NA,NA,NA,NA,NA,-8,-4,0,0,-4,0,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,-1,0,0,0,0,-0.0025329280648429,0.369047619047619,-0.176097439052526,-0.00545609548167093,0.0505617977528089,-0.838709677419355,0.758333333333333,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","neutral",1.183,3.125,"1:1","148/150","D:P:S:A:G:T:K:C:R:I:L:V:E:Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","GLU",0,"ERR502510","ERR502510","lineage2","gh","Ghana","pnca_p.asp56glu","A","G","ASP","DA56","pnca_complex.pdb"
|
||||
"H57D","LBOV","PZA","H","H57",57,"D",NA,"Other","DM","hydrophobic","hydrophilic","basic","acidic","pos","neg",4.561,-1.283,-1.854,1.83315,-1.011,-1.24,75,85,-1.177,9,9,16,0.0714285714285714,"helix",-1.3,5.63,0.0073307460112117,166.910526315789,166.909698569351,166.066117054134,457.827712322676,12,-52,0,0,-52,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,2,-2,0,0,0,-0.324974670719352,-0.47906976744186,0.066767313281711,-0.172378516624041,-0.324607329842932,0.789473684210526,-0.969522240527183,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","148/150","H:S",5.11745293904149,2.3513585122013e-18,0.585586418334624,8.73902259139692,62.7783116073746,679.19417378895,2.2224837265936,2.07661319929242e-72,71.6826443898669,55.3332327668776,812.938834180501,1.42764749548143e-101,"lineageBOV","dr_mutations_pyrazinamide","ASP",0,"ERR3275354","ERR3275354","lineageBOV","nl","Netherlands","pnca_p.his57asp","A","G","HIS","HA57","pnca_complex.pdb"
|
||||
"H57L","L4","PZA","H","H57",57,"L",NA,"MDR","DM","hydrophobic","hydrophobic","basic","non-polar","pos","non-polar",4.561,-1.924,-0.06,-1.11406,-0.541,-0.64,68,80,-1.177,9,9,16,0.0714285714285714,"helix",-1.3,5.63,NA,NA,NA,NA,NA,2,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,-2,1,0,0,-2,0,-0.487335359675785,-0.0155038759689922,-0.214192878566485,-0.0922421142369992,-0.167539267015707,0.715789473684211,-0.969522240527183,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","148/150","H:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","LEU",0,"ERR751574","ERR751574","lineage4.3.4.2","pe","","pnca_p.his57leu","A","G","HIS","HA57","pnca_complex.pdb"
|
||||
"H57P","L4","PZA","H","H57",57,"P",1,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","non-polar","pos","non-polar",4.561,-2.115,-1.226,0.15002,-0.75,-0.33,78,85,-1.177,9,9,16,0.0714285714285714,"helix",-1.3,5.63,0.0002874802357337,38.8547368421053,1392277.50785055,Inf,13.9909822352959,22,0,0,0,0,0,0,0,0,4,2,0,2,0,0,0,0,3,4,-3,4,2,0,0,4,-0.535714285714286,-0.316795865633075,0.00546405495378026,-0.127877237851662,-0.0863874345549738,0.821052631578947,-0.969522240527183,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","148/150","H:S",14.1464514590952,0.930573112990219,162.371849599067,0.0871237932808301,0.0113995443355766,NA,1.58944397188817,0.0008528275207519,3.06913879340442,3.20302487654751,Inf,0.0001836895199759,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR2510509","ERR2510509","lineage4.1.2.1","pk","Pakistan","pnca_p.his57pro","A","G","HIS","HA57","pnca_complex.pdb"
|
||||
"H57Q","L4","PZA","H","H57",57,"Q",NA,"MDR","OM","hydrophobic","hydrophilic","basic","neutral","pos","polar",4.561,-0.949,-1.29,0.84932,-0.454,-0.3,63,80,-1.177,9,9,16,0.0714285714285714,"helix",-1.3,5.63,NA,NA,NA,NA,NA,-2,0,0,0,0,0,0,0,0,1,0,-1,2,0,0,0,0,-2,0,-2,2,0,0,-2,-2,-0.240374873353597,-0.333333333333333,0.0309340831445451,-0.0774083546462063,-0.0785340314136125,0.663157894736842,-0.969522240527183,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","148/150","H:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLN",0,"ERR2707036","ERR2707036","lineage4.3.4.1","cd","Democratic Republic of Congo","pnca_p.his57gln","A","G","HIS","HA57","pnca_complex.pdb"
|
||||
"H57R","L4","PZA","H","H57",57,"R",NA,"MDR","DM","hydrophobic","hydrophilic","basic","basic","pos","pos",4.561,-0.281,-1.171,1.25273,-0.843,-0.28,76,85,-1.177,9,9,16,0.0714285714285714,"helix",-1.3,5.63,0.0018686215322696,254.917127071823,3820001.12562827,Inf,120.509921037495,-20,-28,0,0,-28,0,0,0,0,2,0,0,2,0,0,0,0,0,0,-2,3,0,0,-2,0,-0.0711752786220871,-0.302583979328165,0.0456271534611995,-0.143734015345269,-0.0732984293193717,0.8,-0.969522240527183,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","148/150","H:S",15.1557612752498,0.885234541058947,105.0027715034,0.144336773765625,15316.7789338948,20462689243807308,2.40639901531589,1.01650823124183e-20,19.9928891002838,32.1173872780919,Inf,4.89215110948636e-28,"lineage4","dr_mutations_pyrazinamide","ARG",0,"SRR671861,BGI_GuangZ0016","SRR671861","lineage4.4.2","cn","China","pnca_p.his57arg","A","G","HIS","HA57","pnca_complex.pdb"
|
||||
"H57Y","L2","PZA","H","H57",57,"Y",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","basic","neutral","pos","polar",4.561,-1.155,0.405,-0.147464,-0.488,0.9,63,80,-1.177,9,9,16,0.0714285714285714,"helix",-1.3,5.63,0.0002156101768003,29.1287878787879,511969.848428296,Inf,9.2872640727157,-10,-6,0,0,-6,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,-2,0,0,0,0,0,-0.292553191489362,0.344387755102041,-0.028351918787972,-0.0832054560954817,0.50561797752809,0.663157894736842,-0.969522240527183,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-1.221,-1.152,"9:9","148/150","H:S",13.1460210124991,0.907969111549563,113.719344731871,0.115600569485296,0.183926936278874,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage2","dr_mutations_pyrazinamide","TYR",0,"SRR6280334","SRR6280334","lineage2.2.1.1","cn","China","pnca_p.his57tyr","A","G","HIS","HA57","pnca_complex.pdb"
|
||||
"F58L","L2","PZA","F","F58",58,"L",0,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",8.072,-2.337,-1.639,0.155134,-0.746,-1.43,74,85,-1.108,9,9,43,0.179166666666667,"strand",-0.4,4.41,0.000646830530401,6.07150379106992,6.0715037407715,6.07036843596735,6.87801392972404,10,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-3,1,2,0,6,0,-0.591945288753799,-0.423514211886305,0.0056503179656029,-0.127195225916454,-0.37434554973822,0.778947368421053,-0.912685337726524,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","148/150","W:I:F",1.80360630763137,0.0072061894224301,0.671193623356544,2.68716245933892,1.60530087074952,24.5460966015953,0.783296270528047,0.0099794518593429,2.00089331252028,1.30550120941319,30.6177596174465,0.0087262477054536,"lineage2","dr_mutations_pyrazinamide","LEU",0,"ERR133844,0311P-sc-2012-02-09T18:55:55Z-1355177","ERR133844","lineage2.2.1","ru","Russia,Samara","pnca_p.phe58leu","A","B","PHE","FA58","pnca_complex.pdb"
|
||||
"F58S","L2","PZA","F","F58",58,"S",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",8.072,-0.806,-2.784,2.9435,-1.022,-3,78,85,-1.108,9,9,43,0.179166666666667,"strand",-0.4,4.41,0.0001437401178668,4.85029436501262,4.85029432717734,4.84956447904112,0.0881192621863332,28,2,0,0,2,0,0,0,0,0,0,0,-2,0,0,0,0,0,0,0,2,6,0,10,2,-0.204154002026342,-0.71937984496124,0.107208677219385,-0.174254049445865,-0.785340314136126,0.821052631578947,-0.912685337726524,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","148/150","W:I:F",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673649,122.683760399218,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage2","dr_mutations_pyrazinamide","SER",0,"SRR5065526","SRR5065526","lineage2.2.1","vn","Vietnam","pnca_p.phe58ser","A","B","PHE","FA58","pnca_complex.pdb"
|
||||
"F58V","L5","PZA","F","F58",58,"V",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",8.072,-2.319,-1.927,1.56433,-1.103,-1.7,71,85,-1.108,9,9,43,0.179166666666667,"strand",-0.4,4.41,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,28,2,0,0,2,0,0,0,0,0,0,2,-2,0,0,0,0,-2,0,-2,2,4,0,8,-2,-0.587386018237082,-0.497932816537468,0.0569763037318162,-0.188064791133845,-0.445026178010471,0.747368421052632,-0.912685337726524,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","148/150","W:I:F",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987755,NA,4692673.51081266,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage5","other_mutations_pyrazinamide","VAL",0,"ERR2707138","ERR2707138","lineage5","cd","Democratic Republic of Congo","pnca_p.phe58val","A","B","PHE","FA58","pnca_complex.pdb"
|
||||
"S59F","L4","PZA","S","S59",59,"F",NA,"MDR","DM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",11.829,-0.598,-0.905,0.176045,-1.083,-0.74,56,75,-0.671,7,7,38,0.245161290322581,"loop",0.533333333333333,3.86,7.18700589334483e-05,9.70142977291842,188179.926264404,Inf,0.763784339928386,-14,-2,0,0,-2,0,0,0,0,2,0,2,0,0,0,0,0,-3,0,-1,-2,-2,0,-4,-2,-0.151469098277609,-0.233850129198966,0.00641194210330786,-0.184654731457801,-0.193717277486911,0.589473684210526,-0.552718286655684,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","148/150","T:G:A:S:Q:H:E:K:R:L:V",12.1451538387252,0.919026337424193,119.468044436159,0.101660271548307,5.01153666069521e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","PHE",0,"ERR2707143","ERR2707143","lineage4.3.3","cd","Democratic Republic of Congo","pnca_p.ser59phe","A","-","SER","SA59","pnca_complex.pdb"
|
||||
"S59P","L4","PZA","S","S59",59,"P",NA,"MDR","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",11.829,-1.097,-0.594,3.6058,-1.13,-0.16,62,80,-0.671,7,7,38,0.245161290322581,"loop",0.533333333333333,3.86,0.0004312203536006,58.3312262958281,1393450.94022764,Inf,23.547488635408,0,0,0,0,0,0,0,0,0,4,2,2,0,0,0,0,0,-6,0,-4,-2,-2,0,-4,-6,-0.277862208713272,-0.153488372093023,0.131331084870956,-0.192668371696505,-0.0418848167539267,0.652631578947368,-0.552718286655684,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","148/150","T:G:A:S:Q:H:E:K:R:L:V",14.1472939191327,0.915018435775139,132.57606067652,0.106710773022978,4.17896182039693,NA,1.7659011066874,2.48532104922106e-05,4.60461750194108,5.71767556863798,Inf,1.21868387173808e-06,"lineage4","dr_mutations_pyrazinamide","PRO",0,"SAMN02403622","SRR1175510_SRR1175516","lineage4.8","za","South Africa","pnca_p.ser59pro","A","-","SER","SA59","pnca_complex.pdb"
|
||||
"S59Y","L2","PZA","S","S59",59,"Y",1,"Pre-XDR","OM","hydrophilic","hydrophobic","neutral","neutral","polar","polar",11.829,-0.553,-0.542,0.447426,-0.986,-0.66,58,75,-0.671,7,7,38,0.245161290322581,"loop",0.533333333333333,3.86,7.18700589334483e-05,9.70142977291842,188179.926264634,Inf,0.763784339928386,-22,-2,0,0,-2,0,0,0,0,2,0,2,0,0,0,0,0,-1,0,-1,0,0,0,-2,-2,-0.140070921985815,-0.140051679586563,0.0162962288478209,-0.168115942028985,-0.172774869109948,0.610526315789474,-0.552718286655684,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.615,"8:7","148/150","T:G:A:S:Q:H:E:K:R:L:V",12.1451538387264,0.919026337424234,119.468044436232,0.101660271548256,5.0115366606273e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","TYR",0,"SAMN10961392","SRR8651662","lineage2.2.1","cn","China:Wenzhou","pnca_p.ser59tyr","A","-","SER","SA59","pnca_complex.pdb"
|
||||
"G60D","L4","PZA","G","G60",60,"D",0,"Sensitive","OM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",14.904,0.52,-0.161,-2.08267,0.187,-0.13,-38,66,0.72,2,2,80,0.769230769230769,"loop",-0.633333333333333,3.26,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,-8,0,0,-8,0,0,0,0,-4,0,0,-4,0,0,0,0,-1,0,-1,0,0,0,-1,-7,0.233183856502242,-0.0416020671834625,-0.400421056679228,0.157939189189189,-0.0340314136125654,-0.408602150537634,0.230769230769231,"Stabilising","Destabilising","Stabilising","Stabilising","Destabilising","neutral",0.389,0.842,"4:2","148/150","H:E:Q:N:L:V:K:I:T:A:S:G:P:D",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987745,NA,4692673.51081424,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","ASP",0,"ERS2286463","ERR2503536","lineage4.8","fi","Finland","pnca_p.gly60asp","A","S","GLY","GA60","pnca_complex.pdb"
|
||||
"T61P","L4","PZA","T","T61",61,"P",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",14.618,-0.472,-0.204,1.58134,-0.158,0.02,-13,57,1.323,1,1,130,0.755813953488372,"loop",-0.9,3.48,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,-2,0,0,0,0,-2,-0.119554204660588,-0.0527131782945736,0.0575958449580781,-0.0269394714407502,0.0112359550561797,-0.139784946236559,0.424038461538462,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","neutral",0.842,1.712,"2:1","124/150","R:K:N:L:V:Q:H:E:D:P:T:A:G:S",-8.98740878149644,0.940032862253633,119.468044435491,-0.0752285585987752,NA,4692673.51081345,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","dr_mutations_pyrazinamide","PRO",0,"SAMN02403629","SRR1175497_SRR1175498_SRR1175480_SRR1175526","lineage4.1.2.1","za","South Africa","pnca_p.thr61pro","A","S","THR","TA61","pnca_complex.pdb"
|
||||
"T61R","L1","PZA","T","T61",61,"R",NA,"Pre-MDR","OM","hydrophobic","hydrophilic","neutral","basic","polar","pos",14.618,-0.01,0.174,-0.362941,-0.011,-0.02,-37,66,1.323,1,1,130,0.755813953488372,"loop",-0.9,3.48,NA,NA,NA,NA,NA,-8,-4,0,0,-4,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,-1,0,0,0,0,-0.0025329280648429,0.147959183673469,-0.0697802430208413,-0.00187553282182438,-0.0052356020942408,-0.397849462365591,0.424038461538462,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","neutral",0.842,1.712,"2:1","124/150","R:K:N:L:V:Q:H:E:D:P:T:A:G:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","ARG",0,"ERR702404","ERR702404","lineage1","gh","Ghana","pnca_p.thr61arg","A","S","THR","TA61","pnca_complex.pdb"
|
||||
"P62L","L4","PZA","P","P62",62,"L",1,"MDR","DM","hydrophilic","hydrophobic","non-polar","non-polar","non-polar","non-polar",11.121,-0.276,-0.504,1.77658,-1.127,-0.59,54,75,-0.599,7,7,34,0.213836477987421,"loop",-1.93333333333333,3.99,0.0007905706482679,48.6872097931617,48.6872048041474,48.6746878162623,37.2619168572472,0,-2,0,0,-2,0,0,0,0,0,0,0,0,0,0,0,0,-1,-2,-7,1,2,0,4,2,-0.0699088145896656,-0.130232558139535,0.0647069107438137,-0.192156862745098,-0.154450261780105,0.568421052631579,-0.49341021416804,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.485,"8:7","125/150","I:V:P:A:E",3.88541626053988,0.0002118075877292,1.0488367141091,3.70450062271154,9.31977387255173,893.783372292271,1.68741488635211,1.95392414212297e-07,6.70909230105579,6.91781679568266,2088.84994220519,1.03281930722422e-09,"lineage4","dr_mutations_pyrazinamide","LEU",0,"ERR1034715","ERR1034715","lineage4.1.2.1","pe","Peru","pnca_p.pro62leu","A","-","PRO","PA62","pnca_complex.pdb"
|
||||
"P62Q","L4","PZA","P","P62",62,"Q",NA,"Pre-MDR","DM","hydrophilic","hydrophilic","non-polar","neutral","non-polar","polar",11.121,0.708,-0.763,1.97038,-0.98,-0.28,50,75,-0.599,7,7,34,0.213836477987421,"loop",-1.93333333333333,3.99,NA,NA,NA,NA,NA,-6,0,0,0,0,0,0,0,0,-3,0,-1,-2,0,0,0,0,-7,-2,-3,-3,0,0,0,0,0.317488789237668,-0.197157622739018,0.071765528595051,-0.167092924126172,-0.0732984293193717,0.526315789473684,-0.49341021416804,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.485,"8:7","125/150","I:V:P:A:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","GLN",0,"SRR5065206","SRR5065206","lineage4.4.1.2","vn","Vietnam","pnca_p.pro62gln","A","-","PRO","PA62","pnca_complex.pdb"
|
||||
"P62R","L4","PZA","P","P62",62,"R",NA,"XDR","DM","hydrophilic","hydrophilic","non-polar","basic","non-polar","pos",11.121,0.023,-0.186,2.51854,-1.078,-0.18,61,80,-0.599,7,7,34,0.213836477987421,"loop",-1.93333333333333,3.99,NA,NA,NA,NA,NA,-20,-14,0,0,-14,0,0,0,0,0,0,0,0,0,0,0,0,-7,-2,-1,-5,-2,0,0,0,0.0103139013452914,-0.0480620155038759,0.0917307089940923,-0.183802216538789,-0.0471204188481675,0.642105263157895,-0.49341021416804,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.485,"8:7","125/150","I:V:P:A:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","ARG",0,"ERR775322","ERR775322","lineage4.1.1","pe","","pnca_p.pro62arg","A","-","PRO","PA62","pnca_complex.pdb"
|
||||
"P62S","L2","PZA","P","P62",62,"S",0,"XDR","DM","hydrophilic","hydrophilic","non-polar","neutral","non-polar","polar",11.121,0.534,-1.342,1.54135,-1.161,-1.23,50,75,-0.599,7,7,34,0.213836477987421,"loop",-1.93333333333333,3.99,0.0003593502946672,1.21225820016821,1.21225918982515,1.212214074125,7.19297638498975e-25,0,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-3,-2,-1,0,-4,0,-4,0,0.239461883408072,-0.346770025839793,0.0561393221104466,-0.197953964194373,-0.321989528795811,0.526315789473684,-0.49341021416804,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.485,"8:7","125/150","I:V:P:A:E",0.192485717774876,0.863268405978748,1.11770505415734,0.172215126932565,0.0619550849552706,8.19905671742343,0.083595130527928,1,0,0.0246053772172713,12.260612593354,0.999999999999323,"lineage2","dr_mutations_pyrazinamide","SER",0,"ERR2517004","ERR2517004","lineage2.2.1","gb","UK","pnca_p.pro62ser","A","-","PRO","PA62","pnca_complex.pdb"
|
||||
"P62T","L3","PZA","P","P62",62,"T",1,"Pre-XDR","OM","hydrophilic","hydrophobic","non-polar","neutral","non-polar","polar",11.121,0.522,-1.056,2.20908,-1.242,-0.58,55,75,-0.599,7,7,34,0.213836477987421,"loop",-1.93333333333333,3.99,0.0002156101768003,29.1287878787879,511969.848429208,Inf,9.2872640727157,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-9,-2,-5,-2,-4,0,-4,0,0.234080717488789,-0.272868217054264,0.0804595021816884,-0.211764705882353,-0.151832460732984,0.578947368421053,-0.49341021416804,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.779,-0.485,"8:7","125/150","I:V:P:A:E",13.1460210125009,0.907969111549634,113.719344731975,0.115600569485207,0.183926936276724,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage3","other_mutations_pyrazinamide","THR",0,"ERR2510418","ERR2510418","lineage3","pk","Pakistan","pnca_p.pro62thr","A","-","PRO","PA62","pnca_complex.pdb"
|
||||
"D63A","L2","PZA","D","D63",63,"A",1,"MDR","DM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",10.737,-0.769,-0.714,4.4472,-0.704,0.12,40,71,-0.741,8,8,84,0.435233160621762,"loop",-2.13333333333333,3.62,0.0009343107661348,26.7869510135135,26.7869506340703,26.7708032978517,37.2159659891988,2,12,0,0,12,0,0,0,0,4,0,4,6,0,0,0,0,3,0,3,0,0,0,2,1,-0.194782168186423,-0.184496124031008,0.16197670437576,-0.12003410059676,0.0674157303370786,0.421052631578947,-0.610378912685338,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.872,-0.674,"8:7","125/150","W:D:M:G:N:F:Y:E",3.28791485229524,1.90630753051068e-05,0.768996545261043,4.275591187707,7.18677177005967,173.199151011581,1.42792328347145,1.9896368453757e-07,6.70122618511891,5.83859157504838,247.443798048456,1.05744462378296e-09,"lineage2","dr_mutations_pyrazinamide","ALA",0,"ERR1034857","ERR1034857","lineage2.2.1","pt","Portugal","pnca_p.asp63ala","A","-","ASP","DA63","pnca_complex.pdb"
|
||||
"D63E","L2","PZA","D","D63",63,"E",NA,"XDR","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",10.737,-0.0139999999999999,-0.219,3.8992,-0.86,0.02,32,66,-0.741,8,8,84,0.435233160621762,"loop",-2.13333333333333,3.62,NA,NA,NA,NA,NA,-4,6,0,0,6,0,0,0,0,4,0,6,2,0,0,0,0,2,0,2,0,0,0,2,2,-0.0035460992907801,-0.0565891472868217,0.142017351524997,-0.146632566069906,0.0112359550561797,0.336842105263158,-0.610378912685338,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.872,-0.674,"8:7","125/150","W:D:M:G:N:F:Y:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","GLU",0,"ERR2515591","ERR2515591","lineage2.2.1","za","South Africa","pnca_p.asp63glu","A","-","ASP","DA63","pnca_complex.pdb"
|
||||
"D63G","L2","PZA","D","D63",63,"G",1,"Pre-MDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",10.737,-0.799,-1.153,4.61622,-0.964,-0.66,33,66,-0.741,8,8,84,0.435233160621762,"loop",-2.13333333333333,3.62,0.0005749604714675,4.85515789473684,4.85515785897614,4.85442845338892,4.01139112494925,4,12,0,0,12,0,0,0,0,4,0,4,6,0,0,0,0,3,0,1,0,0,0,7,11,-0.202380952380952,-0.297932816537468,0.168132780687505,-0.164364876385337,-0.172774869109948,0.347368421052632,-0.610378912685338,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","125/150","W:D:M:G:N:F:Y:E",1.58004161593687,0.0255237229775361,0.70746570614631,2.23338262506551,1.14726850666831,20.5466864308595,0.686203358177678,0.033386534669467,1.47642865587913,0.903495684237988,26.0627135254866,0.0451938468216249,"lineage2","dr_mutations_pyrazinamide","GLY",0,"SRR6369875","SRR6369875","lineage2.2.1","au","Australia","pnca_p.asp63gly","A","-","ASP","DA63","pnca_complex.pdb"
|
||||
"D63H","L3","PZA","D","D63",63,"H",0,"XDR","DM","hydrophilic","hydrophobic","acidic","basic","neg","pos",10.737,-0.456,-0.085,4.09043,-0.703,0.25,35,66,-0.741,8,8,84,0.435233160621762,"loop",-2.13333333333333,3.62,0.0002156101768003,2.42493692178301,2.42493957425811,2.42473736947533,4.31445715363782e-25,-4,6,0,0,6,0,0,0,0,2,0,2,6,0,0,0,0,3,0,3,0,0,0,2,-2,-0.115501519756839,-0.0219638242894056,0.148982364382025,-0.119863597612958,0.140449438202247,0.368421052631579,-0.610378912685338,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.872,-0.674,"8:7","125/150","W:D:M:G:N:F:Y:E",0.885806606247284,0.469406216824826,1.22442753211922,0.723445514749363,0.112662937620386,25.3270547471305,0.384700446081433,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,0.999999999999476,"lineage3","dr_mutations_pyrazinamide","HIS",0,"ERR2510422","ERR2510422","lineage3","pk","Pakistan","pnca_p.asp63his","A","-","ASP","DA63","pnca_complex.pdb"
|
||||
"D63V","L4","PZA","D","D63",63,"V",NA,"MDR","OM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",10.737,-0.722,0.0279999999999999,4.48687,-0.842,-0.12,40,71,-0.741,8,8,84,0.435233160621762,"loop",-2.13333333333333,3.62,NA,NA,NA,NA,NA,0,12,0,0,12,0,0,0,0,4,0,4,6,0,0,0,0,1,0,1,0,0,0,0,0,-0.182877406281662,0.0238095238095238,0.163421572126837,-0.143563512361466,-0.031413612565445,0.421052631578947,-0.610378912685338,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","125/150","W:D:M:G:N:F:Y:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","VAL",0,"SAMN02584627","SRR1166318_SRR1169048","lineage4.3.3","md","Moldova","pnca_p.asp63val","A","-","ASP","DA63","pnca_complex.pdb"
|
||||
"D63Y","L2","PZA","D","D63",63,"Y",NA,"XDR","OM","hydrophilic","hydrophobic","acidic","neutral","neg","polar",10.737,-0.438,0.07,4.37717,-0.53,0.23,35,66,-0.741,8,8,84,0.435233160621762,"loop",-2.13333333333333,3.62,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-6,12,0,0,12,0,0,0,0,4,0,4,6,0,0,0,0,2,0,2,-2,0,0,2,0,-0.110942249240121,0.0595238095238095,0.15942605933901,-0.0903665814151748,0.129213483146067,0.368421052631579,-0.610378912685338,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.872,-0.674,"8:7","125/150","W:D:M:G:N:F:Y:E",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987744,NA,4692673.51081431,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","TYR",0,"SAMN02360617","SRR1049071_SRR1013674_SRR1013675_SRR1049070","lineage2.2.2","kr","South Korea","pnca_p.asp63tyr","A","-","ASP","DA63","pnca_complex.pdb"
|
||||
"Y64D","L2","PZA","Y","Y64",64,"D",0,"MDR","DM","hydrophobic","hydrophilic","neutral","acidic","polar","neg",8.434,0.546,-0.392,2.59866,-0.33,0.17,69,80,0.947,1,1,135,0.513307984790874,"loop",-1.86666666666667,3.61,0.0002874802357337,4.85191417753471,4.85191414039982,4.85118443551178,1.17497090855698,32,-18,0,0,-18,0,0,0,0,0,0,0,0,0,0,0,0,3,0,-3,4,6,0,6,4,0.244843049327354,-0.101291989664083,0.0946488537940982,-0.0562659846547315,0.0955056179775281,0.726315789473684,0.303525641025641,"Stabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",0.59,1.183,"3:1","146/150","E:Y:H:F:Q:N:R:K:S:G:A:T:P:W:D",1.57937329521209,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091311512,40.4562911075298,0.685913110299906,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,0.278382201819561,"lineage2","dr_mutations_pyrazinamide","ASP",0,"ERS457793","ERR552068_ERR552067","lineage2.2.1","uz","Nukus","pnca_p.tyr64asp","A","S","TYR","YA64","pnca_complex.pdb"
|
||||
"S65P","L2","PZA","S","S65",65,"P",0,"Pre-XDR","OM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",8.268,-0.499,-0.032,3.33753,-0.186,-0.19,21,63,-0.697,8,8,97,0.625806451612903,"loop",-0.966666666666667,3.79,0.0001437401178668,1.2119588062211,4.59700131334264e-05,0,1.01056822389159e-25,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,4,-4,-2,0,0,-2,-2,-0.126393110435664,-0.0082687338501291,0.121560107518266,-0.0317135549872123,-0.0497382198952879,0.221052631578947,-0.574135090609555,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.827,-0.615,"8:7","147/150","L:V:R:K:I:E:Q:D:G:S:A:T",-9.98752126245058,0.942832958100734,139.277183325397,-0.0717096729269463,NA,144471.706314841,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","other_mutations_pyrazinamide","PRO",0,"ERR552937,ERS458416,SAMEA2535014","ERR552937","lineage2.2.1","uz","Nukus","pnca_p.ser65pro","A","S","SER","SA65","pnca_complex.pdb"
|
||||
"S66L","L1","PZA","S","S66",66,"L",0,"Sensitive","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",9.005,-0.663,0.201,1.22464,0.084,-0.57,32,66,-0.098,5,5,71,0.458064516129032,"loop",-0.8,3.87,0.0005030904125341,0.346123821533658,1.69039306948873e-05,0,0.489658927611485,-10,0,0,0,0,0,0,0,0,2,0,0,4,0,0,0,0,-1,0,0,-5,0,0,0,0,-0.167933130699088,0.170918367346939,0.0446040545167141,0.070945945945946,-0.149214659685864,0.336842105263158,-0.0807248764415157,"Destabilising","Stabilising","Destabilising","Stabilising","Destabilising","effect",-0.332,-0.038,"6:5","147/150","N:V:I:R:H:F:E:Q:D:T:G:M:S:A",-10.9879643775828,0.928667766494711,122.741582014466,-0.0895211239520097,NA,1.02643587095793,-0.460768509909571,0.611380301705926,0.213688558083325,0,3.36442927964707,0.484079488471969,"lineage1","other_mutations_pyrazinamide","LEU",0,"ERR2514260","ERR2514260","lineage1.1.2","gb","UK","pnca_p.ser66leu","A","S","SER","SA66","pnca_complex.pdb"
|
||||
"S66P","L4","PZA","S","S66",66,"P",NA,"Pre-MDR","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",9.005,-0.726,-0.248,1.91796,-0.165,-0.07,46,71,-0.098,5,5,71,0.458064516129032,"loop",-0.8,3.87,7.18700589334483e-05,9.70142977291842,188179.926264563,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,4,0,2,4,0,0,0,0,2,4,-2,-4,0,0,-2,0,-0.183890577507599,-0.0640826873385013,0.0698562780906038,-0.0281329923273657,-0.0183246073298429,0.484210526315789,-0.0807248764415157,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","147/150","N:V:I:R:H:F:E:Q:D:T:G:M:S:A",12.1451538387261,0.919026337424221,119.468044436209,0.101660271548273,5.01153666064915e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR1213862","ERR1213862","lineage4","kr","South Korea","pnca_p.ser66pro","A","S","SER","SA66","pnca_complex.pdb"
|
||||
"S67L","L4","PZA","S","S67",67,"L",NA,"XDR","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",8.658,-1.544,0.61,0.0243891,-0.207,0.22,33,66,-0.355,6,6,15,0.0967741935483871,"loop",-0.833333333333333,5.15,NA,NA,NA,NA,NA,-8,0,0,0,0,0,0,0,0,2,0,0,4,0,0,0,0,-5,0,-2,-5,0,0,0,-2,-0.391084093211753,0.518707482993197,0.000888304110606866,-0.0352941176470588,0.123595505617977,0.347368421052632,-0.292421746293245,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.553,-0.244,"7:6","148/150","N:L:V:I:F:Q:W:T:A:M:S:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","LEU",0,"ERR779901","ERR779901","lineage4.3.4.2","pe","","pnca_p.ser67leu","A","-","SER","SA67","pnca_complex.pdb"
|
||||
"S67P","L2","PZA","S","S67",67,"P",1,"MDR","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",8.658,-1.699,-0.228,3.29311,-0.86,0,40,71,-0.355,6,6,15,0.0967741935483871,"loop",-0.833333333333333,5.15,0.0009343107661348,58.4740177439797,58.4739415306308,58.4547574725378,46.7514830195167,0,0,0,0,0,0,0,0,0,2,0,2,4,0,0,0,0,-2,2,-2,-4,0,0,0,-4,-0.430344478216819,-0.0589147286821705,0.119942234427698,-0.146632566069906,0,0.421052631578947,-0.292421746293245,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.553,-0.244,"7:6","148/150","N:L:V:I:F:Q:W:T:A:M:S:P",4.06858121107736,9.19336449861209e-05,1.04030498364652,3.91095041842055,11.5166635599536,1065.61332397634,1.76696293519342,6.68324361543955e-09,8.17501270782547,8.64086529870195,2465.74647273772,8.05839318437163e-12,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERR2517333","ERR2517333","lineage2.2.1","nl","Netherlands","pnca_p.ser67pro","A","-","SER","SA67","pnca_complex.pdb"
|
||||
"S67T","L1","PZA","S","S67",67,"T",NA,"Pre-MDR","OM","hydrophilic","hydrophobic","neutral","neutral","polar","polar",8.658,-1.302,-0.129,-0.265321,-0.27,-0.1,-47,72,-0.355,6,6,15,0.0967741935483871,"loop",-0.833333333333333,5.15,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-8,0,-6,-2,0,0,0,-4,-0.329787234042553,-0.0333333333333333,-0.0510114973467661,-0.0460358056265985,-0.0261780104712041,-0.505376344086022,-0.292421746293245,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.553,-0.244,"7:6","148/150","N:L:V:I:F:Q:W:T:A:M:S:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","THR",0,"ERR702404","ERR702404","lineage1","gh","Ghana","pnca_p.ser67thr","A","-","SER","SA67","pnca_complex.pdb"
|
||||
"S67W","L2","PZA","S","S67",67,"W",NA,"Pre-XDR","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",8.658,-0.833,-0.832,0.201358,-0.082,-0.65,39,66,-0.355,6,6,15,0.0967741935483871,"loop",-0.833333333333333,5.15,7.18700589334483e-05,9.70142977291842,188179.926264541,Inf,0.763784339928386,-10,-4,0,0,-4,0,0,0,0,0,0,0,2,0,0,0,0,-4,0,-4,-4,0,0,0,-6,-0.210992907801418,-0.214987080103359,0.00733389666300016,-0.0139812446717818,-0.170157068062827,0.410526315789474,-0.292421746293245,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.244,"7:6","148/150","N:L:V:I:F:Q:W:T:A:M:S:P",12.145153838726,0.919026337424218,119.468044436204,0.101660271548276,5.01153666065335e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","TRP",0,"ERR2515719","ERR2515719","lineage2.2.1","za","South Africa","pnca_p.ser67trp","A","-","SER","SA67","pnca_complex.pdb"
|
||||
"W68C","L4","PZA","W","W68",68,"C",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",4.974,-1.575,-1.453,2.68091,-1.561,-1.46,78,85,-1.146,9,9,45,0.157894736842105,"strand",-1.1,5.49,0.0004312203536006,24.2923336141533,24.2923334241599,24.2833096922897,14.1977442691074,46,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,4,2,0,0,4,-0.398936170212766,-0.375452196382429,0.0976445778305495,-0.26615515771526,-0.382198952879581,0.821052631578947,-0.943986820428336,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","150/150","F:W",3.19016080361872,0.0035954281300595,1.09565968954934,2.91163472932995,3.91551977432164,465.531063220521,1.38546923679232,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,0.0001645676755807,"lineage4","dr_mutations_pyrazinamide","CYS",0,"ERS2592795","ERR2677450","lineage4.6","de","Germany","pnca_p.trp68cys","A","B","TRP","WA68","pnca_complex.pdb"
|
||||
"W68G","L2","PZA","W","W68",68,"G",NA,"XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",4.974,-2.125,-2.572,4.03792,-1.882,-3.08,86,91,-1.146,9,9,45,0.157894736842105,"strand",-1.1,5.49,0.0013655311197355,87.9339263024142,87.9339260820995,87.8998400324811,75.5173867602406,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,4,4,0,5,21,-0.538247213779129,-0.664599483204134,0.147069835881672,-0.320886615515772,-0.806282722513089,0.905263157894737,-0.943986820428336,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","150/150","F:W",4.47658569248055,1.32290566590749e-05,1.02761623592683,4.35628159226488,18.1565285172187,1582.53238090538,1.94415646509946,2.3565519928076e-13,12.6277229739224,13.8702072448497,3588.35734387119,3.62203368500016e-18,"lineage2","dr_mutations_pyrazinamide","GLY",0,"SAMN02419585","SRR1159293_SRR1180989_SRR1181094_SRR1162491","lineage2.2.1","by","Belarus","pnca_p.trp68gly","A","B","TRP","WA68","pnca_complex.pdb"
|
||||
"W68L","L2","PZA","W","W68",68,"L",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",4.974,-2.242,-1.622,0.192132,-1.096,-1.35,84,91,-1.146,9,9,45,0.157894736842105,"strand",-1.1,5.49,NA,NA,NA,NA,NA,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-1,-3,0,0,0,2,-0.567882472137791,-0.419121447028424,0.00699786566044333,-0.186871270247229,-0.353403141361257,0.884210526315789,-0.943986820428336,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","150/150","F:W",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","dr_mutations_pyrazinamide","LEU",0,"BGI_SH415,SRR671826","SRR671826","lineage2.2.1","cn","China","pnca_p.trp68leu","A","B","TRP","WA68","pnca_complex.pdb"
|
||||
"W68R","L2;L4","PZA","W","W68",68,"R",NA,"Pre-MDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",4.974,-0.576,-1.608,0.0790982,-1.263,-1.5,89,91,-1.146,9,9,45,0.157894736842105,"strand",-1.1,5.49,0.0020123616501365,132.405612244898,132.40553086776,132.608758225219,119.023328875182,-18,-32,0,0,-32,0,0,0,0,-2,0,-2,0,0,0,0,0,-1,0,-4,3,2,0,0,-2,-0.145896656534954,-0.415503875968992,0.00288092861981803,-0.215345268542199,-0.392670157068063,0.936842105263158,-0.943986820428336,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","150/150","F:W",4.88586941655608,1.59295080619135e-06,1.01805765099734,4.79920701128237,28.2126225203342,2362.8544732838,2.12190639382976,4.03470202806197e-20,19.3941885333947,21.793565475171,5246.53379470447,1.03505008297772e-27,"lineage2;lineage4","dr_mutations_pyrazinamide","ARG",0,"SRS797298","SRR1723828","lineage4;lineage2.2.1","cn","China:Hubei","pnca_p.trp68arg","A","B","TRP","WA68","pnca_complex.pdb"
|
||||
"W68S","L2","PZA","W","W68",68,"S",NA,"XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",4.974,-1.036,-2.673,2.64788,-1.343,-3.09,86,91,-1.146,9,9,45,0.157894736842105,"strand",-1.1,5.49,7.18700589334483e-05,9.70142977291842,188179.926264399,Inf,0.763784339928386,48,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,0,0,0,0,4,0,2,4,-0.26241134751773,-0.690697674418605,0.0964415533329934,-0.228985507246377,-0.808900523560209,0.905263157894737,-0.943986820428336,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","150/150","F:W",12.1451538387252,0.919026337424192,119.468044436157,0.101660271548309,5.01153666069715e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","SER",0,"SAMN02360558","SRR1048856_SRR1048857_SRR1013557_SRR1013558","lineage2.2.2","kr","South Korea","pnca_p.trp68ser","A","B","TRP","WA68","pnca_complex.pdb"
|
||||
"P69L","L2","PZA","P","P69",69,"L",1,"Pre-XDR","DM","hydrophilic","hydrophobic","non-polar","non-polar","non-polar","non-polar",7.994,-1.774,0.046,2.773,-1.421,-0.28,71,85,-1.198,9,9,23,0.144654088050314,"loop",-1.36666666666667,4.65,0.0004312203536006,24.2923336141533,24.2923334241601,24.2833096922897,14.1977442691074,-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,-4,0,-2,0,-0.449341438703141,0.0391156462585034,0.100998696086073,-0.24228473998295,-0.0732984293193717,0.747368421052632,-0.986820428336079,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","P",3.19016080361873,0.0035954281300594,1.09565968954934,2.91163472932996,3.91551977432241,465.531063220338,1.38546923679232,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,0.0001645676755807,"lineage2","dr_mutations_pyrazinamide","LEU",0,"ERS2592804","ERR2677460","lineage2.2.1","de","Germany","pnca_p.pro69leu","A","-","PRO","PA69","pnca_complex.pdb"
|
||||
"P69Q","L3","PZA","P","P69",69,"Q",0,"Pre-MDR","OM","hydrophilic","hydrophilic","non-polar","neutral","non-polar","polar",7.994,-0.293,-1.59,2.83344,-1.339,-0.94,71,85,-1.198,9,9,23,0.144654088050314,"loop",-1.36666666666667,4.65,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-12,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-6,0,-2,-5,-8,0,-2,-2,-0.0742147922998986,-0.410852713178295,0.103200052447934,-0.228303495311168,-0.246073298429319,0.747368421052632,-0.986820428336079,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","P",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987744,NA,4692673.51081431,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","other_mutations_pyrazinamide","GLN",0,"ERR3335782","ERR3335782","lineage3","pk","Pakistan","pnca_p.pro69gln","A","-","PRO","PA69","pnca_complex.pdb"
|
||||
"P69R","L2","PZA","P","P69",69,"R",NA,"XDR","DM","hydrophilic","hydrophilic","non-polar","basic","non-polar","pos",7.994,-0.966,-1.258,2.33826,-1.319,-1.24,77,85,-1.198,9,9,23,0.144654088050314,"loop",-1.36666666666667,4.65,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-46,-14,0,0,-14,0,0,0,0,-2,0,-2,0,0,0,0,0,-8,0,-2,-7,-6,0,0,-2,-0.24468085106383,-0.325064599483204,0.0851645189723119,-0.224893435635124,-0.324607329842932,0.810526315789474,-0.986820428336079,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","P",-8.98740878149642,0.940032862253634,119.468044435493,-0.0752285585987743,NA,4692673.51081303,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","dr_mutations_pyrazinamide","ARG",0,"SAMN02628504","SRR1173192_SRR1173793","lineage2.2.1","ir","Iran","pnca_p.pro69arg","A","-","PRO","PA69","pnca_complex.pdb"
|
||||
"P69S","L4","PZA","P","P69",69,"S",NA,"Pre-XDR","OM","hydrophilic","hydrophilic","non-polar","neutral","non-polar","polar",7.994,-0.353,-2.477,3.28838,-1.447,-1.93,73,85,-1.198,9,9,23,0.144654088050314,"loop",-1.36666666666667,4.65,0.0001437401178668,1.2119588062211,4.59700131334263e-05,0,1.01056822389159e-25,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,-1,0,-1,0,2,0,2,2,-0.0894123606889564,-0.640051679586563,0.119769957531742,-0.246717817561807,-0.505235602094241,0.768421052631579,-0.986820428336079,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","P",-9.98752126245059,0.942832958100734,139.277183325398,-0.0717096729269462,NA,144471.706314845,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage4","other_mutations_pyrazinamide","SER",0,"ERR2707003","ERR2707003","lineage4.4.1.2","cd","Democratic Republic of Congo","pnca_p.pro69ser","A","-","PRO","PA69","pnca_complex.pdb"
|
||||
"P69T","L4","PZA","P","P69",69,"T",NA,"Pre-MDR","OM","hydrophilic","hydrophobic","non-polar","neutral","non-polar","polar",7.994,-0.377,-1.905,2.75187,-1.735,-1.08,72,85,-1.198,9,9,23,0.144654088050314,"loop",-1.36666666666667,4.65,7.18700589334483e-05,9.70142977291842,188179.926264408,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-1,0,-1,0,0,0,2,0,-0.0954913880445795,-0.492248062015504,0.100229095491663,-0.295822676896846,-0.282722513089005,0.757894736842105,-0.986820428336079,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","P",12.1451538387252,0.919026337424193,119.46804443616,0.101660271548307,5.01153666069443e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","THR",0,"ERR1213868","ERR1213868","lineage4.1.2.1","br","Brazil","pnca_p.pro69thr","A","-","PRO","PA69","pnca_complex.pdb"
|
||||
"H71D","L2","PZA","H","H71",71,"D",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","acidic","pos","neg",4.184,-2.498,-2.685,5.74525,-1.66,-2.6,82,91,-1.209,9,9,5,0.0223214285714285,"loop",-0.766666666666667,6.25,7.18700589334483e-05,9.70142977291842,188179.926264626,Inf,0.763784339928386,18,-24,0,0,-24,0,0,0,0,4,0,2,2,0,0,0,0,-3,0,-7,4,0,0,0,0,-0.632725430597771,-0.693798449612403,0.209254510886589,-0.283034953111679,-0.680628272251309,0.863157894736842,-0.995881383855025,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","H",12.1451538387264,0.919026337424233,119.468044436231,0.101660271548257,5.01153666062825e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","ASP",0,"SRS797287","SRR1723816","lineage2.2.1","cn","China:Guangdong","pnca_p.his71asp","A","-","HIS","HA71","pnca_complex.pdb"
|
||||
"H71N","L4","PZA","H","H71",71,"N",NA,"MDR","DM","hydrophobic","hydrophilic","basic","neutral","pos","polar",4.184,-1.335,-2.671,0.64378,-1.764,-2.6,70,85,-1.209,9,9,5,0.0223214285714285,"loop",-0.766666666666667,6.25,NA,NA,NA,NA,NA,16,6,0,0,6,0,0,0,0,-2,0,2,-4,0,0,0,0,1,0,-2,5,0,0,0,0,-0.338145896656535,-0.690180878552972,0.0234478689384392,-0.30076726342711,-0.680628272251309,0.736842105263158,-0.995881383855025,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","ASN",0,"SAMN02567731","SRR1166325","lineage4.3.3","ro","Romania","pnca_p.his71asn","A","-","HIS","HA71","pnca_complex.pdb"
|
||||
"H71P","L4","PZA","H","H71",71,"P",NA,"MDR","OM","hydrophobic","hydrophilic","basic","non-polar","pos","non-polar",4.184,-2.885,-2.362,3.26218,-1.555,-2.44,84,91,-1.209,9,9,5,0.0223214285714285,"loop",-0.766666666666667,6.25,0.0001437401178668,4.85029436501262,4.85029432717734,4.84956447904112,0.0881192621863332,32,8,0,0,8,0,0,0,0,2,0,2,0,0,0,0,0,-2,0,-4,2,0,0,0,0,-0.730749746707194,-0.610335917312661,0.118815696501286,-0.265132139812447,-0.638743455497382,0.884210526315789,-0.995881383855025,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","H",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673778,122.683760399245,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage4","other_mutations_pyrazinamide","PRO",0,"3033","ERR2433011","lineage4.3.4.2.1","br","Momazbique","pnca_p.his71pro","A","-","HIS","HA71","pnca_complex.pdb"
|
||||
"H71Q","L2","PZA","H","H71",71,"Q",NA,"XDR","DM","hydrophobic","hydrophilic","basic","neutral","pos","polar",4.184,-1.733,-2.294,1.12335,-1.091,-1.86,67,80,-1.209,9,9,5,0.0223214285714285,"loop",-0.766666666666667,6.25,0.0001437401178668,19.411022297013,511754.463553472,Inf,4.73122070382274,-4,6,0,0,6,0,0,0,0,0,0,2,-2,0,0,0,0,-5,0,-5,-1,0,0,0,2,-0.438956433637285,-0.592764857881137,0.040914852235229,-0.186018755328218,-0.486910994764398,0.705263157894737,-0.995881383855025,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","H",13.1456002256222,0.924803768447052,139.277183326685,0.0943844491368574,0.0001628371344425,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","GLN",0,"SAMN02360618","SRR1049072_SRR1013676_SRR1049073_SRR1013677","lineage2.2.1","kr","South Korea","pnca_p.his71gln","A","-","HIS","HA71","pnca_complex.pdb"
|
||||
"H71R","L4","PZA","H","H71",71,"R",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","basic","pos","pos",4.184,-0.831,-1.93,-1.52387,-1.26,-1.58,77,85,-1.209,9,9,5,0.0223214285714285,"loop",-0.766666666666667,6.25,0.0005030904125341,1.94026083298275,1.94026661170037,1.94003614333864,0.0926662555126122,-36,-2,0,0,-2,0,0,0,0,0,0,2,-2,0,0,0,0,-1,0,-1,1,-4,0,-4,0,-0.21048632218845,-0.498708010335917,-0.292984311312774,-0.214833759590793,-0.413612565445026,0.810526315789474,-0.995881383855025,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","H",0.662825392344309,0.428026066477985,0.836294653807202,0.792573992105318,0.27776402289494,9.00753289954653,0.287860116894481,0.342335895194644,0.465547561079344,0.184637933513187,11.8604663966297,0.760814539944039,"lineage4","dr_mutations_pyrazinamide","ARG",0,"ERR3335745","ERR3335745","lineage4.5","pk","Pakistan","pnca_p.his71arg","A","-","HIS","HA71","pnca_complex.pdb"
|
||||
"H71Y","L4","PZA","H","H71",71,"Y",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","basic","neutral","pos","polar",4.184,-1.955,-0.461,-1.77532,-0.84,-0.23,61,80,-1.209,9,9,5,0.0223214285714285,"loop",-0.766666666666667,6.25,0.0017967514733362,25.6733460559796,25.6733459339263,25.6638623299459,74.4270249019608,-26,-6,0,0,-6,0,0,0,0,-2,0,2,-4,0,0,0,0,-8,0,-3,-5,-12,0,-12,-6,-0.495187436676798,-0.119121447028424,-0.34132892409444,-0.143222506393862,-0.0602094240837696,0.642105263157895,-0.995881383855025,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","H",3.24545333052325,2.7826871320661e-09,0.546011377839736,5.94392985612077,9.76352440503871,88.06998811648,1.40948247478545,4.51976315688199e-13,12.3448843223466,8.64707452935555,102.96388402837,6.29217184975434e-18,"lineage4","dr_mutations_pyrazinamide","TYR",0,"ERR2516045","ERR2516045","lineage4.1.2.1","za","South Africa","pnca_p.his71tyr","A","-","HIS","HA71","pnca_complex.pdb"
|
||||
"C72G","LBOV","PZA","C","C72",72,"G",NA,"Other","OM","hydrophobic","hydrophobic","neutral","neutral","non-polar","non-polar",7.053,-0.725,-1.759,1.3326,-1.459,-1.55,54,75,-1.104,9,9,0,0,"loop",1.16666666666667,7.01,NA,NA,NA,NA,NA,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,0,-2,0,0,3,17,-0.183637284701114,-0.454521963824289,0.0485361927170215,-0.248763853367434,-0.405759162303665,0.568421052631579,-0.909390444810544,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","150/150","G:A:C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineageBOV","other_mutations_pyrazinamide","GLY",0,"ERR553338","ERR553338","lineageBOV","cg","Congo","pnca_p.cys72gly","A","S","CYS","CA72","pnca_complex.pdb"
|
||||
"C72R","L2","PZA","C","C72",72,"R",1,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",7.053,0.152,-1.639,7.93343,-2.368,-1.28,87,91,-1.104,9,9,0,0,"loop",1.16666666666667,7.01,0.0002156101768003,9.70466975178797,9.70465898653054,9.70194990589383,2.29168245016684,-68,-32,0,0,-32,0,0,0,0,-6,0,-6,-2,0,0,0,0,-16,0,-5,-13,-20,0,-8,-12,0.0681614349775784,-0.423514211886305,0.288952789574516,-0.403751065643649,-0.335078534031414,0.91578947368421,-0.909390444810544,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","150/150","G:A:C",2.27260607808817,0.0634455902260893,1.22442760158496,1.8560559033024,0.929172866365108,208.881603005161,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage2","dr_mutations_pyrazinamide","ARG",0,"0180X-sc-2011-09-07T13:18:50Z-1276428,ERR067581","ERR067581","lineage2.2.1","ru","Russia,Samara","pnca_p.cys72arg","A","S","CYS","CA72","pnca_complex.pdb"
|
||||
"C72W","L4","PZA","C","C72",72,"W",1,"MDR","DM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",7.053,0.265,-1.725,27.4558,-1.622,-1.13,85,91,-1.104,9,9,0,0,"loop",1.16666666666667,7.01,0.0001437401178668,19.411022297013,511754.463552333,Inf,4.73122070382274,-46,0,0,0,0,0,0,0,0,-2,0,0,-2,0,0,0,0,-12,0,-12,-6,-16,0,-14,-8,0.118834080717489,-0.445736434108527,1,-0.276555839727195,-0.295811518324607,0.894736842105263,-0.909390444810544,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","150/150","G:A:C",13.14560022562,0.924803768446981,139.277183326528,0.0943844491369478,0.0001628371344461,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","dr_mutations_pyrazinamide","TRP",0,"SAMN10961405","SRR8651625","lineage4.4.2","cn","China:Wenzhou","pnca_p.cys72trp","A","S","CYS","CA72","pnca_complex.pdb"
|
||||
"C72Y","L4","PZA","C","C72",72,"Y",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","neutral","non-polar","polar",7.053,0.154,-1.564,15.4245,-1.249,-1.05,83,91,-1.104,9,9,0,0,"loop",1.16666666666667,7.01,7.18700589334483e-05,9.70142977291842,188179.92626441,Inf,0.763784339928386,-46,-12,0,0,-12,0,0,0,0,-2,0,-2,0,0,0,0,0,-15,0,-4,-13,-18,0,-16,-14,0.0690582959641255,-0.404134366925065,0.561793865048551,-0.212958226768968,-0.274869109947644,0.873684210526316,-0.909390444810544,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.062,"9:9","150/150","G:A:C",12.1451538387253,0.919026337424193,119.46804443616,0.101660271548307,5.0115366606943e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","TYR",0,"ERR1035034","ERR1035034","lineage4.3.4.2.1","za","South Africa","pnca_p.cys72tyr","A","S","CYS","CA72","pnca_complex.pdb"
|
||||
"V73D","L2","PZA","V","V73",73,"D",NA,"MDR","OM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",10.768,1.153,-1.148,1.11169,-2.613,-1.37,87,91,-0.743,8,8,46,0.264367816091954,"strand",1.96666666666667,4.66,NA,NA,NA,NA,NA,-6,-50,0,0,-50,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-4,2,2,0,2,-2,0.517040358744395,-0.296640826873385,0.0404901696544992,-0.445524296675192,-0.358638743455497,0.91578947368421,-0.612026359143328,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","150/150","I:R:K:L:V:E:T:M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","ASP",0,"BGI_SH337,SRR671818","SRR671818","lineage2.2.1","cn","China","pnca_p.val73asp","A","B","VAL","VA73","pnca_complex.pdb"
|
||||
"T76I","L2","PZA","T","T76",76,"I",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",14.032,-0.319,0.311,-0.781308,-0.733,-0.73,69,80,-0.548,7,7,56,0.325581395348837,"loop",-0.9,3.94,0.0002156101768003,29.1287878787879,511969.848429101,Inf,9.2872640727157,-10,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-6,0,-6,0,0,0,0,-4,-0.0808004052684903,0.264455782312925,-0.150216873029301,-0.124978687127025,-0.19109947643979,0.726315789473684,-0.451400329489292,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","effect",-0.674,-0.485,"7:7","150/150","Q:T:S:D",13.1460210125007,0.907969111549626,113.719344731963,0.115600569485217,0.183926936276972,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage2","dr_mutations_pyrazinamide","ILE",0,"SAMN03653232,SRS935975","SRR2024927","lineage2.2.1","cn","China","pnca_p.thr76ile","A","S","THR","TA76","pnca_complex.pdb"
|
||||
"T76P","L4","PZA","T","T76",76,"P",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",14.032,-0.382,-0.519,1.15155,-1.623,-0.09,78,85,-0.548,7,7,56,0.325581395348837,"loop",-0.9,3.94,0.0017248814144027,24.4404408647732,24.4404407276145,24.4312693653994,69.8031277140286,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-4,2,-6,-2,4,0,2,0,-0.096757852077001,-0.134108527131783,0.0419419576191552,-0.276726342710997,-0.0235602094240837,0.821052631578947,-0.451400329489292,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.485,"7:7","150/150","Q:T:S:D",3.19623916718558,5.52153426461584e-09,0.548179859875324,5.83063954212496,9.23910743126347,84.0861153416749,1.38810903558899,2.23953024381857e-12,11.6498430682339,8.17279939949528,98.407580019827,6.55288933297668e-17,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR1035324","ERR1035324","lineage4.6","br","Brazil","pnca_p.thr76pro","A","S","THR","TA76","pnca_complex.pdb"
|
||||
"P77L","L1","PZA","P","P77",77,"L",0,"Sensitive","OM","hydrophilic","hydrophobic","non-polar","non-polar","non-polar","non-polar",13.235,0.067,0.544,0.65747,-0.447,-0.2,18,59,3.113,1,1,94,0.591194968553459,"helix",-0.9,3.75,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-5,-2,-3,-1,0,0,0,-2,0.0300448430493273,0.462585034013606,0.023946488537941,-0.0762148337595908,-0.0523560209424083,0.189473684210526,0.99775641025641,"Stabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",1.712,3.125,"1:1","150/150","T:W:Q:E:F:R:L:V:N:P:G:S:A:D:Y:H:K",-8.98740878149639,0.940032862253632,119.468044435489,-0.075228558598776,NA,4692673.51081001,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage1","other_mutations_pyrazinamide","LEU",0,"SRR2100651,SAMN03647824","SRR2100651","lineage1.1.2","","","pnca_p.pro77leu","A","G","PRO","PA77","pnca_complex.pdb"
|
||||
"G78A","L2","PZA","G","G78",78,"A",NA,"XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",9.84,-0.912,0.335,1.30582,-1.378,-0.01,67,80,-0.882,8,8,8,0.0769230769230769,"helix",-0.0666666666666667,4.83,NA,NA,NA,NA,NA,-4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,0,-2,-2,0,-7,-16,-0.231003039513678,0.284863945578231,0.047560806824059,-0.234953111679454,-0.0026178010471204,0.705263157894737,-0.726523887973641,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","G:E:N:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","ALA",0,"BGI_FJ05195,SRR671759","SRR671759","lineage2.2.1","cn","China","pnca_p.gly78ala","A","G","GLY","GA78","pnca_complex.pdb"
|
||||
"G78C","L1","PZA","G","G78",78,"C",1,"MDR","DM","hydrophobic","hydrophobic","neutral","neutral","non-polar","non-polar",9.84,-0.281,-1.038,2.40156,-1.186,-0.68,70,85,-0.882,8,8,8,0.0769230769230769,"helix",-0.0666666666666667,4.83,0.0002156101768003,9.70466975178797,9.70465898653048,9.70194990589383,2.29168245016684,-10,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-5,0,-1,-4,-4,0,-9,-19,-0.0711752786220871,-0.268217054263566,0.0874700427596355,-0.202216538789429,-0.178010471204189,0.736842105263158,-0.726523887973641,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","G:E:N:D",2.27260607808816,0.0634455902260901,1.22442760158496,1.8560559033024,0.929172866365334,208.881603004981,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage1","dr_mutations_pyrazinamide","CYS",0,"SAMN03647573,SRR2100400","SRR2100400","lineage1.2.2","","","pnca_p.gly78cys","A","G","GLY","GA78","pnca_complex.pdb"
|
||||
"G78R","L4","PZA","G","G78",78,"R",NA,"Pre-MDR","OM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",9.84,-0.84,-0.272,1.06499,-1.34,-0.13,84,91,-0.882,8,8,8,0.0769230769230769,"helix",-0.0666666666666667,4.83,NA,NA,NA,NA,NA,-42,-20,0,0,-20,0,0,0,0,0,0,2,-4,0,0,0,0,-9,0,-5,-7,-6,0,-11,-13,-0.212765957446809,-0.0702842377260982,0.0387892540009761,-0.22847399829497,-0.0340314136125654,0.884210526315789,-0.726523887973641,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","G:E:N:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ARG",0,"ERR2707074","ERR2707074","lineage4.6.1.2","cd","Democratic Republic of Congo","pnca_p.gly78arg","A","G","GLY","GA78","pnca_complex.pdb"
|
||||
"G78S","L2","PZA","G","G78",78,"S",1,"MDR","DM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",9.84,0.215,-0.859,0.982763,-1.528,-0.4,65,80,-0.882,8,8,8,0.0769230769230769,"helix",-0.0666666666666667,4.83,0.0002156101768003,9.70466975178797,9.7046589865305,9.70194990589383,2.29168245016684,-6,-2,0,0,-2,0,0,0,0,0,0,2,-2,0,0,0,0,-10,0,-8,-2,-2,0,-5,-19,0.0964125560538116,-0.221963824289406,0.0357943676745897,-0.260528559249787,-0.104712041884817,0.684210526315789,-0.726523887973641,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","G:E:N:D",2.27260607808817,0.0634455902260898,1.22442760158496,1.8560559033024,0.929172866365337,208.881603004981,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage2","dr_mutations_pyrazinamide","SER",0,"ERR228039,2180W-sc-2012-10-11T13:38:26Z-1494203","ERR228039","lineage2.2.1","ru","Russia,Samara","pnca_p.gly78ser","A","G","GLY","GA78","pnca_complex.pdb"
|
||||
"G78V","L4","PZA","G","G78",78,"V",NA,"MDR","DM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",9.84,-0.842,0.114,2.8237,-1.939,-0.82,77,85,-0.882,8,8,8,0.0769230769230769,"helix",-0.0666666666666667,4.83,0.0001437401178668,19.411022297013,511754.463553282,Inf,4.73122070382274,-8,-2,0,0,-2,0,0,0,0,2,0,2,0,0,0,0,0,-17,0,-11,-10,-8,0,-9,-21,-0.213272543059777,0.096938775510204,0.102845300446536,-0.330605285592498,-0.214659685863874,0.810526315789474,-0.726523887973641,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","G:E:N:D",13.1456002256219,0.924803768447042,139.277183326662,0.0943844491368702,0.0001628371344429,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","dr_mutations_pyrazinamide","VAL",0,"ERR1199111","ERR1199111","lineage4.6.1.2","cd","Democratic Republic of the Congo","pnca_p.gly78val","A","G","GLY","GA78","pnca_complex.pdb"
|
||||
"A79T","L4","PZA","A","A79",79,"T",0,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",10.663,-0.176,-1.881,-0.0668707,-2.659,-1.58,69,80,-0.886,8,8,1,0.0077519379844961,"helix",-0.7,5.8,0.0001437401178668,1.2119588062211,4.59700131334282e-05,0,1.01056822389159e-25,0,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-1,0,-1,0,-2,0,-2,-5,-0.044579533941236,-0.486046511627907,-0.0128567830500654,-0.453367433930094,-0.413612565445026,0.726315789473684,-0.729818780889621,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","Q:G:S:E:A:C:V",-9.98752126245055,0.942832958100734,139.277183325396,-0.0717096729269465,NA,144471.70631481,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage4","other_mutations_pyrazinamide","THR",0,"ERR2512531","ERR2512531","lineage4.6","gb","UK","pnca_p.ala79thr","A","G","ALA","AA79","pnca_complex.pdb"
|
||||
"A79V","L3","PZA","A","A79",79,"V",0,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.663,-1.403,-0.186,-0.825109,-1.839,-0.64,25,63,-0.886,8,8,1,0.0077519379844961,"helix",-0.7,5.8,0.0003593502946672,0.484657419083649,1.69068633684892e-05,0,0.177777263899814,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,-2,0,-2,-5,-0.355369807497467,-0.0480620155038759,-0.158638198877182,-0.313554987212276,-0.167539267015707,0.263157894736842,-0.729818780889621,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","150/150","Q:G:S:E:A:C:V",-10.9877909019996,0.939691219428539,145.229797681911,-0.0756579646696576,NA,60.3389082676172,-0.314565134742567,0.596111875058711,0.224672226566594,0,5.29224350433385,0.673290424524484,"lineage3","other_mutations_pyrazinamide","VAL",0,"ERR2512680","ERR2512680","lineage3","gb","UK","pnca_p.ala79val","A","G","ALA","AA79","pnca_complex.pdb"
|
||||
"F81C","L2","PZA","F","F81",81,"C",1,"XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",11.313,-1.003,-1.592,2.56753,-1.315,-1.85,55,75,-0.082,5,5,40,0.166666666666667,"strand",-1.3,4.56,7.18700589334483e-05,9.70142977291842,188179.926264665,Inf,0.763784339928386,26,4,0,0,4,0,0,0,0,-2,0,-2,0,0,0,0,0,2,0,2,0,10,0,10,6,-0.254052684903749,-0.411369509043928,0.0935150314323385,-0.224211423699915,-0.484293193717278,0.578947368421053,-0.0675453047775947,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,0.083,"6:5","150/150","F:M:Y:P:V:L:I",12.1451538387266,0.919026337424239,119.468044436241,0.101660271548249,5.01153666061863e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","CYS",0,"ERR234657,2531C-sc-2012-10-11T13:40:33Z-1494335","ERR234657","lineage2.2.1","ru","Russia,Samara","pnca_p.phe81cys","A","B","PHE","FA81","pnca_complex.pdb"
|
||||
"F81S","L2","PZA","F","F81",81,"S",0,"XDR","OM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",11.313,-0.596,-2.584,2.44385,-1.725,-2.58,31,66,-0.082,5,5,40,0.166666666666667,"strand",-1.3,4.56,0.0001437401178668,1.2119588062211,4.59700131334266e-05,0,1.01056822389159e-25,32,4,0,0,4,0,0,0,0,-2,0,-2,0,0,0,0,0,6,0,2,4,12,0,10,8,-0.15096251266464,-0.667700258397933,0.0890103366137574,-0.294117647058824,-0.675392670157068,0.326315789473684,-0.0675453047775947,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,0.083,"6:5","150/150","F:M:Y:P:V:L:I",-9.98752126245058,0.942832958100734,139.277183325397,-0.0717096729269465,NA,144471.70631483,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","other_mutations_pyrazinamide","SER",0,"0190H-sc-2011-08-25T12:38:23Z-1262321,ERR067722","ERR067722","lineage2.2.1","ru","Russia,Samara","pnca_p.phe81ser","A","B","PHE","FA81","pnca_complex.pdb"
|
||||
"F81V","L4","PZA","F","F81",81,"V",1,"Pre-MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",11.313,-1.967,-1.563,2.08972,-1.962,-1.92,56,75,-0.082,5,5,40,0.166666666666667,"strand",-1.3,4.56,0.0003593502946672,1.21225820016821,1.21225918982515,1.212214074125,7.19297638498975e-25,32,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,2,10,0,8,6,-0.49822695035461,-0.403875968992248,0.0761121511666023,-0.334526854219949,-0.50261780104712,0.589473684210526,-0.0675453047775947,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,0.083,"6:5","150/150","F:M:Y:P:V:L:I",0.192485717774876,0.863268405978748,1.11770505415734,0.172215126932565,0.0619550849552711,8.1990567174233,0.083595130527928,1,0,0.0246053772172713,12.260612593354,0.999999999999323,"lineage4","dr_mutations_pyrazinamide","VAL",0,"SRR2101519,SAMN03648766","SRR2101519","lineage4.4.1.1","","","pnca_p.phe81val","A","B","PHE","FA81","pnca_complex.pdb"
|
||||
"H82D","L4","PZA","H","H82",82,"D",NA,"MDR","DM","hydrophobic","hydrophilic","basic","acidic","pos","neg",11.736,0.013,-0.198,1.78228,-1.413,0.3,63,80,-0.684,8,8,33,0.147321428571428,"loop",-0.666666666666667,4.73,0.0001437401178668,4.85029436501262,4.85029432717735,4.84956447904112,0.0881192621863332,26,-20,0,0,-20,0,0,0,0,-2,0,-2,0,0,0,0,0,-1,0,1,0,4,0,4,-2,0.005829596412556,-0.0511627906976744,0.064914517151203,-0.240920716112532,0.168539325842697,0.663157894736842,-0.563426688632619,"Stabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.827,-0.615,"8:7","150/150","D:P:S:A:I:R:V:H",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673665,122.683760399245,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR751365","ERR751365","lineage4.3.3","pe","","pnca_p.his82asp","A","-","HIS","HA82","pnca_complex.pdb"
|
||||
"H82R","L4","PZA","H","H82",82,"R",NA,"MDR","DM","hydrophobic","hydrophilic","basic","basic","pos","pos",11.736,-0.111,-0.663,-0.0040868,-0.923,-0.05,52,75,-0.684,8,8,33,0.147321428571428,"loop",-0.666666666666667,4.73,0.0004312203536006,24.2923336141533,24.2923334241601,24.2833096922897,14.1977442691074,-34,-18,0,0,-18,0,0,0,0,0,0,2,-2,0,0,0,0,-5,0,2,-5,2,0,2,-2,-0.0281155015197568,-0.171317829457364,-0.000785741751903407,-0.157374254049446,-0.013089005235602,0.547368421052632,-0.563426688632619,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.827,-0.615,"8:7","150/150","D:P:S:A:I:R:V:H",3.19016080361873,0.0035954281300594,1.09565968954934,2.91163472932996,3.915519774324,465.531063220231,1.38546923679232,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,0.0001645676755807,"lineage4","dr_mutations_pyrazinamide","ARG",0,"ERR2706933","ERR2706933","lineage4.3.4.1","cd","Democratic Republic of Congo","pnca_p.his82arg","A","-","HIS","HA82","pnca_complex.pdb"
|
||||
"H82Y","LBOV","PZA","H","H82",82,"Y",NA,"Other","DM","hydrophobic","hydrophobic","basic","neutral","pos","polar",11.736,-0.973,0.591,-0.667302,-0.819,1.23,62,80,-0.684,8,8,33,0.147321428571428,"loop",-0.666666666666667,4.73,NA,NA,NA,NA,NA,-26,-4,0,0,-4,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,0,-6,-2,0,-2,-4,-0.24645390070922,0.502551020408163,-0.128297700530647,-0.139641943734015,0.691011235955056,0.652631578947368,-0.563426688632619,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-0.827,-0.615,"8:7","150/150","D:P:S:A:I:R:V:H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineageBOV","dr_mutations_pyrazinamide","TYR",0,"SRR5657460","SRR5657460","lineageBOV","mx","","pnca_p.his82tyr","A","-","HIS","HA82","pnca_complex.pdb"
|
||||
"L85P","L2","PZA","L","L85",85,"P",NA,"Pre-MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",12.428,-1.426,-1.891,8.82868,-1.285,-1.32,85,91,-0.734,8,8,9,0.044776119402985,"loop",-0.166666666666667,5.61,0.0005030904125341,29.1630847029077,29.1630732435189,29.1293325978315,18.6717493808583,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,-1,-2,4,0,-2,8,-0.361195542046606,-0.488630490956072,0.321559743296498,-0.219096334185848,-0.345549738219895,0.894736842105263,-0.604612850082372,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","150/150","F:V:L:I",3.37290329402598,0.001789077082818,1.07995768762031,3.12318096596747,4.97876379054104,550.894323518834,1.46483345924118,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,1.55265977742841e-05,"lineage2","dr_mutations_pyrazinamide","PRO",0,"SRS797068","SRR1723570","lineage2.2.1","cn","China:InnerMongolia","pnca_p.leu85pro","A","S","LEU","LA85","pnca_complex.pdb"
|
||||
"L85R","L2","PZA","L","L85",85,"R",0,"MDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",12.428,-0.808,-1.371,2.99904,-1.503,-0.82,84,91,-0.734,8,8,9,0.044776119402985,"loop",-0.166666666666667,5.61,0.0009343107661348,26.7869510135135,26.7869506340703,26.7708032978517,37.2159659891988,-50,-32,0,0,-32,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,1,-5,-8,0,-6,-6,-0.204660587639311,-0.354263565891473,0.109231564915246,-0.256265984654731,-0.214659685863874,0.884210526315789,-0.604612850082372,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","150/150","F:V:L:I",3.28791485229524,1.90630753051074e-05,0.768996545261044,4.27559118770699,7.18677177006371,173.199151011595,1.42792328347145,1.9896368453757e-07,6.70122618511891,5.83859157504838,247.443798048456,1.05744462378296e-09,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2516799","ERR2516799","lineage2.2.1","gb","UK","pnca_p.leu85arg","A","S","LEU","LA85","pnca_complex.pdb"
|
||||
"D86G","L4","PZA","D","D86",86,"G",0,"Other","OM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",17.129,-1.107,-0.094,2.19531,-0.796,0.24,15,59,1.31,1,1,97,0.50259067357513,"loop",-0.133333333333333,3.88,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,4,14,0,0,14,0,0,0,0,4,0,2,2,0,0,0,0,3,0,1,2,2,0,3,13,-0.280395136778116,-0.0242894056847545,0.0799579688080478,-0.135720375106564,0.134831460674157,0.157894736842105,0.419871794871795,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",0.842,1.712,"2:1","150/150","D:P:A:G:S:T:K:R:N:L:V:Q:E:F:H",-8.98740878149642,0.940032862253633,119.468044435491,-0.0752285585987753,NA,4692673.51081135,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR2513489","ERR2513489","lineage4.1.2","gb","UK","pnca_p.asp86gly","A","-","ASP","DA86","pnca_complex.pdb"
|
||||
"T87M","L4","PZA","T","T87",87,"M",0,"Pre-MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",17.594,-0.692,-0.4,-1.95982,-0.061,-0.37,-47,72,1.003,1,1,86,0.5,"loop",-1.66666666666667,3.72,0.0007905706482679,0.220184187397302,6.21642915145485e-06,0,1.2237252074576,-22,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-5,0,-1,-4,-2,0,-2,0,-0.175278622087133,-0.103359173126615,-0.376801507344459,-0.0104006820119352,-0.0968586387434555,-0.505376344086022,0.321474358974359,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",0.59,1.183,"3:1","150/150","I:R:L:V:N:Q:F:E:W:T:K:H:Y:D:P:G:M:A:S",-11.9883149074727,0.940801856882948,161.432542873449,-0.0742620706710335,NA,0.975080220739854,-0.657213873251097,0.23001103975255,0.638251318814789,0,1.93160031351699,0.268630815579749,"lineage4","other_mutations_pyrazinamide","MET",0,"1322-04,ERS458560","ERR553130_ERR553131","lineage4.8","","","pnca_p.thr87met","A","-","THR","TA87","pnca_complex.pdb"
|
||||
"I90S","L4","PZA","I","I90",90,"S",1,"XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",14.878,0.447,-2.286,4.11572,-2.665,-1.93,38,66,0.151,4,4,24,0.121827411167513,"loop",0.933333333333333,4.88,0.0005030904125341,6.47410526315789,6.47410517670655,6.47281975099898,5.34879705543722,12,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-1,0,-1,0,0,0,0,0,0.200448430493273,-0.590697674418605,0.149903481231652,-0.454390451832907,-0.505235602094241,0.4,0.0483974358974359,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","P:S:G:A:W:D:E:F:C:I:L:V:N",1.86781040138793,0.0145043045254535,0.764079088633845,2.44452495713176,1.42623754737829,32.8877353882374,0.811179756363585,0.0192724555107824,1.71506294819644,1.09429403734416,44.2397805449942,0.0207365726835135,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR2041748","ERR2041748","lineage4.2.2.1","rs","Serbia","pnca_p.ile90ser","A","-","ILE","IA90","pnca_complex.pdb"
|
||||
"I90T","L4","PZA","I","I90",90,"T",1,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",14.878,0.462,-1.983,2.28269,-2.457,-1.55,42,71,0.151,4,4,24,0.121827411167513,"loop",0.933333333333333,4.88,0.0002874802357337,14.5631313131313,14.5630810302278,14.5631012253236,5.81873994206135,10,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-1,0,-1,0,2,0,0,2,0.207174887892377,-0.512403100775194,0.0831405386111496,-0.418925831202046,-0.405759162303665,0.442105263157895,0.0483974358974359,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","P:S:G:A:W:D:E:F:C:I:L:V:N",2.67848962960141,0.0202679102821363,1.15384949648317,2.3213509541454,1.8636331786073,294.488177945833,1.16325476548539,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,0.0158563003544608,"lineage4","other_mutations_pyrazinamide","THR",0,"ERR2516485","ERR2516485","lineage4.3.4.2;lineage4.1.2.1","pe","Peru","pnca_p.ile90thr","A","-","ILE","IA90","pnca_complex.pdb"
|
||||
"A92G","L1","PZA","A","A92",92,"G",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",15.57,-1.692,-0.574,1.40665,-1.618,-0.96,12,59,0.318,4,4,11,0.0852713178294573,"strand",0.833333333333333,4.62,NA,NA,NA,NA,NA,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,3,12,-0.428571428571428,-0.148320413436692,0.0512332549042461,-0.275873827791986,-0.25130890052356,0.126315789473684,0.101923076923077,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.083,0.389,"5:4","150/150","I:R:V:L:Q:E:F:W:T:K:Y:H:P:M:S:A:G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","GLY",0,"ERR2679251","ERR2679251","lineage1.1.1","","","pnca_p.ala92gly","A","E","ALA","AA92","pnca_complex.pdb"
|
||||
"A92P","L2","PZA","A","A92",92,"P",0,"MDR","OM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",15.57,-1.787,0.14,0.275359,-2.918,0.76,9,53,0.318,4,4,11,0.0852713178294573,"strand",0.833333333333333,4.62,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,-6,2,-2,-6,2,0,0,-3,-0.452634245187437,0.119047619047619,0.0100291741635647,-0.497527706734868,0.426966292134831,0.0947368421052632,0.101923076923077,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",0.083,0.389,"5:4","150/150","I:R:V:L:Q:E:F:W:T:K:Y:H:P:M:S:A:G",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987756,NA,4692673.5108108,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","PRO",0,"MDR_18428","SRR6824520","lineage2.2.1","cn","China: Taojiang County, Yiyang City, Hunan Province","pnca_p.ala92pro","A","E","ALA","AA92","pnca_complex.pdb"
|
||||
"A92V","L1","PZA","A","A92",92,"V",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.57,-1.782,0.941,-1.35941,-0.312,0.55,-40,66,0.318,4,4,11,0.0852713178294573,"strand",0.833333333333333,4.62,NA,NA,NA,NA,NA,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,-6,0,0,-6,-4,0,-2,-3,-0.451367781155015,0.800170068027211,-0.261364685072676,-0.0531969309462916,0.308988764044944,-0.43010752688172,0.101923076923077,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","neutral",0.083,0.389,"5:4","150/150","I:R:V:L:Q:E:F:W:T:K:Y:H:P:M:S:A:G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","VAL",0,"SRR5073850","SRR5073850","lineage1.1.1","vn","Vietnam","pnca_p.ala92val","A","E","ALA","AA92","pnca_complex.pdb"
|
||||
"V93G","L4","PZA","V","V93",93,"G",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",13.206,-0.958,-2.333,3.06107,-2.536,-2.72,41,71,-0.095,5,5,27,0.155172413793103,"strand",2.93333333333333,4.76,NA,NA,NA,NA,NA,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,1,4,0,13,15,-0.242654508611955,-0.602842377260982,0.111490832538116,-0.432395566922421,-0.712041884816754,0.431578947368421,-0.0782537067545305,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","150/150","W:T:A:S:K:I:C:R:L:V:Q:H:Y:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLY",0,"SAMN02584678","SRR1166143_SRR1169099","lineage4.2.1","md","Moldova","pnca_p.val93gly","A","E","VAL","VA93","pnca_complex.pdb"
|
||||
"V93L","L4","PZA","V","V93",93,"L",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",13.206,-1.213,-0.015,-1.8226,-0.026,-0.52,-1,53,-0.095,5,5,27,0.155172413793103,"strand",2.93333333333333,4.76,NA,NA,NA,NA,NA,-14,0,0,0,0,0,0,0,0,-2,0,0,-2,0,0,0,0,-8,0,-5,-4,0,0,2,-2,-0.307244174265451,-0.003875968992248,-0.350419134045989,-0.00443307757885763,-0.136125654450262,-0.010752688172043,-0.0782537067545305,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.332,-0.038,"6:5","150/150","W:T:A:S:K:I:C:R:L:V:Q:H:Y:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","LEU",0,"ERR2516559","ERR2516559","lineage4.1.2.1","pe","Peru","pnca_p.val93leu","A","E","VAL","VA93","pnca_complex.pdb"
|
||||
"F94C","L4","PZA","F","F94",94,"C",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",10.621,-1.615,-1.595,4.52813,-3.58,-1.42,49,71,-0.13,5,5,0,0,"strand",1.9,7.59,0.0002874802357337,14.5631313131313,14.5630810302278,14.5631012253236,5.81873994206135,28,4,0,0,4,0,0,0,0,0,0,-2,0,0,0,0,0,2,0,0,2,8,0,8,6,-0.409067882472138,-0.412144702842377,0.164924351138921,-0.610400682011935,-0.371727748691099,0.515789473684211,-0.107084019769357,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","150/150","A:F:Q:V:L:I",2.67848962960141,0.0202679102821361,1.15384949648317,2.3213509541454,1.86363317860726,294.488177945833,1.16325476548539,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,0.0158563003544608,"lineage4","dr_mutations_pyrazinamide","CYS",0,"ERR1035329","ERR1035329","lineage4.3.3","br","Brazil","pnca_p.phe94cys","A","E","PHE","FA94","pnca_complex.pdb"
|
||||
"F94L","L4","PZA","F","F94",94,"L",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.621,-1.712,-1.582,1.1796,-2.563,-1.99,24,63,-0.13,5,5,0,0,"strand",1.9,7.59,0.0005030904125341,6.47410526315789,6.47410517670654,6.47281975099898,5.34879705543722,16,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-1,-3,2,0,6,2,-0.433637284701115,-0.408785529715762,0.0429635996765711,-0.436999147485081,-0.520942408376963,0.252631578947368,-0.107084019769357,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","150/150","A:F:Q:V:L:I",1.86781040138793,0.0145043045254536,0.764079088633845,2.44452495713176,1.42623754737775,32.8877353882363,0.811179756363585,0.0192724555107824,1.71506294819644,1.09429403734416,44.2397805449942,0.0207365726835135,"lineage4","dr_mutations_pyrazinamide","LEU",0,"ERR2516686","ERR2516686","lineage4.1.1","pe","Peru","pnca_p.phe94leu","A","E","PHE","FA94","pnca_complex.pdb"
|
||||
"F94S","L2","PZA","F","F94",94,"S",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",10.621,-0.449,-3.027,5.85272,-3.24,-2.74,69,80,-0.13,5,5,0,0,"strand",1.9,7.59,0.0001437401178668,19.411022297013,511754.463552622,Inf,4.73122070382274,32,4,0,0,4,0,0,0,0,0,0,-2,0,0,0,0,0,-1,0,-3,0,6,0,10,6,-0.113728470111449,-0.782170542635659,0.213168802220296,-0.552429667519182,-0.717277486910995,0.726315789473684,-0.107084019769357,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","150/150","A:F:Q:V:L:I",13.1456002256206,0.924803768446999,139.277183326568,0.0943844491369244,0.0001628371344452,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","SER",0,"SAMN07236524,SRR5709885","SRR5709885","lineage2.2.1","th","Thailand","pnca_p.phe94ser","A","E","PHE","FA94","pnca_complex.pdb"
|
||||
"F94V","L4","PZA","F","F94",94,"V",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.621,-1.681,-1.995,2.56655,-2.927,-1.82,-5,53,-0.13,5,5,0,0,"strand",1.9,7.59,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,30,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-3,2,4,0,6,2,-0.425785207700101,-0.515503875968992,0.0934793376991382,-0.499062233589088,-0.476439790575916,-0.0537634408602151,-0.107084019769357,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.332,-0.038,"6:5","150/150","A:F:Q:V:L:I",-8.9874087814964,0.940032862253633,119.46804443549,-0.0752285585987757,NA,4692673.51081231,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","VAL",0,"2591","ERR2432995","lineage4.3.3","br","Brazil","pnca_p.phe94val","A","E","PHE","FA94","pnca_complex.pdb"
|
||||
"Y95D","L2","PZA","Y","Y95",95,"D",NA,"Pre-XDR","OM","hydrophobic","hydrophilic","neutral","acidic","polar","neg",10.528,0.071,-0.772,4.78106,-2.558,-0.4,46,71,-0.013,5,5,75,0.285171102661597,"strand",-0.8,4.15,7.18700589334483e-05,9.70142977291842,188179.926264427,Inf,0.763784339928386,38,-12,0,0,-12,0,0,0,0,2,0,0,2,0,0,0,0,1,0,1,1,4,0,2,2,0.0318385650224215,-0.199483204134367,0.174136612300498,-0.43614663256607,-0.104712041884817,0.484210526315789,-0.0107084019769357,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","150/150","K:Y:H:D:G:S:M:P:L:N:C:R:E:F:Q:T",12.1451538387253,0.919026337424197,119.468044436166,0.101660271548303,5.01153666068889e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","ASP",0,"ERR2516654","ERR2516654","lineage2.2.1.1","pe","Peru","pnca_p.tyr95asp","A","E","TYR","YA95","pnca_complex.pdb"
|
||||
"K96E","L2","PZA","K","K96",96,"E",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","acidic","pos","neg",3.977,-0.673,-2.119,6.92487,-2.7,-1.84,89,91,-1.194,9,9,8,0.0338983050847457,"strand",-1.86666666666667,5.96,0.0007905706482679,107.166385135135,3795803.48339079,Inf,47.6847963834956,26,-2,0,0,-2,0,0,0,0,4,0,-4,4,0,0,0,0,0,0,-2,1,-2,0,0,-2,-0.170466058763931,-0.547545219638243,0.252218839006694,-0.460358056265985,-0.481675392670157,0.936842105263158,-0.983525535420099,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","K:Q",15.1494066679806,0.925233417916433,161.43254287942,0.0938435732830911,24.1993753459371,NA,2.03005858162844,3.58120158191569e-09,8.44597123233921,12.2081619622864,Inf,5.00558510128865e-12,"lineage2","dr_mutations_pyrazinamide","GLU",0,"SAMN03653224,SRS935964","SRR2024918","lineage2.2.1","cn","China","pnca_p.lys96glu","A","E","LYS","KA96","pnca_complex.pdb"
|
||||
"K96M","L6","PZA","K","K96",96,"M",NA,"MDR","OM","hydrophobic","hydrophobic","basic","non-polar","pos","non-polar",3.977,-1.026,0.413,0.273257,-0.457,1.02,84,91,-1.194,9,9,8,0.0338983050847457,"strand",-1.86666666666667,5.96,0.0001437401178668,19.411022297013,511754.463553382,Inf,4.73122070382274,24,32,0,0,32,0,0,0,0,4,0,0,4,0,0,0,0,-5,0,-5,0,-2,0,-2,-4,-0.259878419452887,0.351190476190476,0.0099526147480678,-0.077919863597613,0.573033707865168,0.884210526315789,-0.983525535420099,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.229,-1.178,"9:9","150/150","K:Q",13.1456002256221,0.924803768447045,139.277183326669,0.0943844491368667,0.0001628371344428,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage6","other_mutations_pyrazinamide","MET",0,"ERR181315","ERR181315","lineage6","so","Somalia","pnca_p.lys96met","A","E","LYS","KA96","pnca_complex.pdb"
|
||||
"K96N","L2","PZA","K","K96",96,"N",0,"MDR","DM","hydrophobic","hydrophilic","basic","neutral","pos","polar",3.977,0.325,-1.156,2.61245,-3.151,-0.85,90,95,-1.194,9,9,8,0.0338983050847457,"strand",-1.86666666666667,5.96,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,52,6,0,0,6,0,0,0,0,4,0,2,0,0,0,0,0,-3,0,-1,-3,6,0,4,-2,0.145739910313901,-0.298708010335917,0.0951511156112734,-0.537254901960784,-0.222513089005236,0.947368421052632,-0.983525535420099,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","K:Q",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987751,NA,4692673.51081327,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","dr_mutations_pyrazinamide","ASN",0,"MDR_19128","SRR6824521","lineage2.2.1","cn","China: Zengcheng City, Guangzhou City, Guangdong Province","pnca_p.lys96asn","A","E","LYS","KA96","pnca_complex.pdb"
|
||||
"K96Q","L2","PZA","K","K96",96,"Q",0,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","neutral","pos","polar",3.977,-0.08,-1.318,1.04409,-1.359,-0.86,78,85,-1.194,9,9,8,0.0338983050847457,"strand",-1.86666666666667,5.96,0.0002874802357337,4.85191417753471,4.85191414039981,4.85118443551178,1.17497090855698,26,8,0,0,8,0,0,0,0,0,0,-2,0,0,0,0,0,-2,0,-2,-1,2,0,2,-2,-0.0202634245187436,-0.340568475452196,0.0380280305072152,-0.231713554987212,-0.225130890052356,0.821052631578947,-0.983525535420099,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","K:Q",1.57937329521209,0.114342297004304,1.0002536454007,1.57897279602454,0.58188909131153,40.4562911075298,0.685913110299906,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,0.278382201819561,"lineage2","dr_mutations_pyrazinamide","GLN",0,"ERR2517049","ERR2517049","lineage2.2.1","gb","UK","pnca_p.lys96gln","A","E","LYS","KA96","pnca_complex.pdb"
|
||||
"K96R","L2","PZA","K","K96",96,"R",0,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","basic","pos","pos",3.977,0.083,-0.169,-0.740521,-2.045,-0.35,85,91,-1.194,9,9,8,0.0338983050847457,"strand",-1.86666666666667,5.96,0.0010780508840017,19.4879594423321,19.4879432617414,19.4791388432651,37.591449001387,-12,-4,0,0,-4,0,0,0,0,0,0,-2,2,0,0,0,0,-5,0,-3,-5,-8,0,-6,-8,0.037219730941704,-0.0436692506459948,-0.142375028839499,-0.348678601875533,-0.0916230366492146,0.894736842105263,-0.983525535420099,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","K:Q",2.9697959800773,4.2195571364394e-06,0.645570763650269,4.60026405670093,6.18542852926305,85.5881348249979,1.28976636711505,1.66262776179573e-07,6.77920497212353,5.25121653678864,107.844057222035,8.72260296739213e-10,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2516844","ERR2516844","lineage2.2.1","gb","UK","pnca_p.lys96arg","A","E","LYS","KA96","pnca_complex.pdb"
|
||||
"K96T","L2","PZA","K","K96",96,"T",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","basic","neutral","pos","polar",3.977,-0.57,-0.86,3.53764,-0.932,-0.61,85,91,-1.194,9,9,8,0.0338983050847457,"strand",-1.86666666666667,5.96,0.0009343107661348,58.4740177439797,58.473941530631,58.4547574725378,46.7514830195167,72,8,0,0,8,0,0,0,0,4,0,0,4,0,0,0,0,0,0,0,0,8,0,6,4,-0.144376899696049,-0.222222222222222,0.128848549304701,-0.158908780903666,-0.159685863874345,0.894736842105263,-0.983525535420099,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","150/150","K:Q",4.06858121107736,9.193364498612e-05,1.04030498364652,3.91095041842056,11.5166635599539,1065.61332397744,1.76696293519342,6.68324361543955e-09,8.17501270782547,8.64086529870195,2465.74647273772,8.05839318437163e-12,"lineage2","dr_mutations_pyrazinamide","THR",0,"SAMN02360569","SRR1048963_SRR1013580_SRR1013579_SRR1048962","lineage2.2.1","kr","South Korea","pnca_p.lys96thr","A","E","LYS","KA96","pnca_complex.pdb"
|
||||
"G97A","L4","PZA","G","G97",97,"A",NA,"MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",8.236,-1.721,-1.126,3.72826,-1.921,-0.73,66,80,-1.026,9,9,7,0.0673076923076923,"loop",-0.833333333333333,4.92,NA,NA,NA,NA,NA,-6,0,0,0,0,0,0,0,0,0,0,2,-2,0,0,0,0,-4,0,0,-4,-2,0,-1,-16,-0.435916919959473,-0.290956072351421,0.135791344633921,-0.327536231884058,-0.19109947643979,0.694736842105263,-0.845140032948929,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-0.993,"9:9","150/150","A:G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ALA",0,"SAMN02231160","SRR998769_SRR998771_SRR998770_SRR998768","lineage4.1","ml","Mali","pnca_p.gly97ala","A","-","GLY","GA97","pnca_complex.pdb"
|
||||
"G97C","L4","PZA","G","G97",97,"C",1,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","neutral","non-polar","non-polar",8.236,-1.158,-1.635,4.47159,-1.484,-0.7,69,80,-1.026,9,9,7,0.0673076923076923,"loop",-0.833333333333333,4.92,0.0007187005893344,97.3828619670747,1395803.74890115,Inf,42.8452490786805,-10,-2,0,0,-2,0,0,0,0,0,0,2,-2,0,0,0,0,-9,0,-3,-11,-8,0,-7,-21,-0.293313069908815,-0.422480620155039,0.162865041266326,-0.253026427962489,-0.183246073298429,0.726315789473684,-0.845140032948929,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-0.993,"9:9","150/150","A:G",14.1489809714057,0.890414731995348,102.692976013979,0.137779442378606,507.712885369765,NA,1.98848253379833,2.1018584548314e-08,7.67739653395739,10.9022485555592,Inf,5.92457926729285e-11,"lineage4","dr_mutations_pyrazinamide","CYS",0,"ERR551166","ERR551166","lineage4.1.1.1","sz","Swaziland","pnca_p.gly97cys","A","-","GLY","GA97","pnca_complex.pdb"
|
||||
"G97D","L3;L4","PZA","G","G97",97,"D",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",8.236,-0.248,-2.974,12.1049,-2.263,-1.49,83,91,-1.026,9,9,7,0.0673076923076923,"loop",-0.833333333333333,4.92,0.0025154520626706,29.4508301404853,29.4508186631222,29.4177544871982,111.74678026952,-16,-66,0,0,-66,0,0,0,0,-6,0,0,-6,0,0,0,0,-13,0,-9,-13,-8,0,-15,-23,-0.0628166160081053,-0.768475452196382,0.440886807159143,-0.385848252344416,-0.390052356020942,0.873684210526316,-0.845140032948929,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-0.993,"9:9","150/150","A:G",3.38272170811945,2.59985209607615e-12,0.483396852654822,6.9978149206837,12.4656214812387,86.4946048523286,1.46909754090074,1.11009505519018e-18,17.9546398318646,11.2940206861184,97.32420575844,4.05989172191837e-26,"lineage3;lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR1035046","ERR1035046","lineage4.7;lineage3","za","South Africa","pnca_p.gly97asp","A","-","GLY","GA97","pnca_complex.pdb"
|
||||
"G97R","L2","PZA","G","G97",97,"R",1,"MDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",8.236,-0.89,-1.252,4.89479,-2.091,-0.79,82,91,-1.026,9,9,7,0.0673076923076923,"loop",-0.833333333333333,4.92,0.0001437401178668,19.411022297013,511754.463553323,Inf,4.73122070382274,-78,-34,0,0,-34,0,0,0,0,-4,0,0,-6,0,0,0,0,-16,0,-10,-15,-16,0,-13,-27,-0.225430597771023,-0.323514211886305,0.178278906460566,-0.356521739130435,-0.206806282722513,0.863157894736842,-0.845140032948929,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-0.993,"9:9","150/150","A:G",13.1456002256219,0.924803768447043,139.277183326664,0.0943844491368691,0.0001628371344429,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2517307","ERR2517307","lineage2.2.1","nl","Netherlands","pnca_p.gly97arg","A","-","GLY","GA97","pnca_complex.pdb"
|
||||
"G97S","L4","PZA","G","G97",97,"S",NA,"XDR","DM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",8.236,-0.309,-1.999,5.99386,-2.075,-1.28,72,85,-1.026,9,9,7,0.0673076923076923,"loop",-0.833333333333333,4.92,0.000646830530401,87.6075949367089,1395214.80217992,Inf,38.0099632572142,-6,0,0,0,0,0,0,0,0,-4,0,-2,-2,0,0,0,0,-7,0,-3,-4,-4,0,-7,-19,-0.0782674772036474,-0.516537467700258,0.21830942824467,-0.353793691389599,-0.335078534031414,0.757894736842105,-0.845140032948929,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-0.993,"9:9","150/150","A:G",14.1485589414412,0.896008552350388,108.247901040098,0.130705157379451,226.474535582214,NA,1.94254175795031,1.23317897951184e-07,6.90897388676731,9.59561062779463,Inf,7.038428913028e-10,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR688043","ERR688043","lineage4.8","pk","Pakistan","pnca_p.gly97ser","A","-","GLY","GA97","pnca_complex.pdb"
|
||||
"G97V","L1","PZA","G","G97",97,"V",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",8.236,-1.664,-0.588,6.12241,-2.616,-1.24,77,85,-1.026,9,9,7,0.0673076923076923,"loop",-0.833333333333333,4.92,7.18700589334483e-05,9.70142977291842,188179.926264625,Inf,0.763784339928386,-8,-2,0,0,-2,0,0,0,0,-2,0,0,-2,0,0,0,0,-14,0,-8,-9,-12,0,-11,-23,-0.421479229989868,-0.151937984496124,0.22299149906395,-0.446035805626598,-0.324607329842932,0.810526315789474,-0.845140032948929,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.124,-0.993,"9:9","150/150","A:G",12.1451538387264,0.919026337424232,119.468044436229,0.101660271548258,5.01153666063045e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage1","other_mutations_pyrazinamide","VAL",0,"ERR1023294","ERR1023294","lineage1.2.1","","","pnca_p.gly97val","A","-","GLY","GA97","pnca_complex.pdb"
|
||||
"T100A","L3","PZA","T","T100",100,"A",0,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",8.272,-1.759,-0.543,0.408316,0.129,-0.1,-36,66,1.347,1,1,81,0.470930232558139,"loop",-0.8,4.18,0.0002874802357337,4.85191417753471,4.85191414039982,4.85118443551178,1.17497090855698,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,2,0,2,5,-0.445542046605876,-0.14031007751938,0.0148717575157162,0.108952702702703,-0.0261780104712041,-0.387096774193548,0.431730769230769,"Destabilising","Destabilising","Destabilising","Stabilising","Destabilising","neutral",0.842,1.712,"2:1","150/150","K:Y:D:P:A:G:S:R:I:V:L:N:Q:F:E:T",1.57937329521209,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091312076,40.456291107557,0.685913110299906,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,0.278382201819561,"lineage3","other_mutations_pyrazinamide","ALA",0,"ERR2510467","ERR2510467","lineage3","pk","Pakistan","pnca_p.thr100ala","A","S","THR","TA100","pnca_complex.pdb"
|
||||
"T100I","L2","PZA","T","T100",100,"I",1,"XDR","DM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",8.272,-1.537,0.379,0.808015,-0.042,-0.36,14,59,1.347,1,1,81,0.470930232558139,"loop",-0.8,4.18,0.000646830530401,38.9169126950654,38.9169126367816,38.9145296299157,27.8738145664613,-6,2,0,0,2,0,0,0,0,2,0,2,0,0,0,0,0,-1,0,-3,0,0,0,0,-2,-0.389311043566363,0.322278911564626,0.0294296651345071,-0.00716112531969309,-0.094240837696335,0.147368421052632,0.431730769230769,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",0.842,1.712,"2:1","150/150","K:Y:D:P:A:G:S:R:I:V:L:N:Q:F:E:T",3.66142892829214,0.0005578275078108,1.06087424525349,3.45133171502081,7.13685172054609,722.165073757354,1.59013838008863,5.5228318480997e-06,5.25783817940065,5.21074959149254,1710.75565736304,1.29490403629991e-07,"lineage2","dr_mutations_pyrazinamide","ILE",0,"ERR1873474","ERR1873474","lineage2.2.1","za","South Africa","pnca_p.thr100ile","A","S","THR","TA100","pnca_complex.pdb"
|
||||
"T100P","L2","PZA","T","T100",100,"P",NA,"MDR","OM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",8.272,-1.685,-0.488,1.65141,-0.412,0.03,18,59,1.347,1,1,81,0.470930232558139,"loop",-0.8,4.18,0.0005030904125341,68.0817875210792,1394038.39846607,Inf,28.35828361563,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,2,0,-2,0,0,-2,-4,-0.426798378926039,-0.12609819121447,0.0601479468818974,-0.0702472293265132,0.0168539325842696,0.189473684210526,0.431730769230769,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",0.842,1.712,"2:1","150/150","K:Y:D:P:A:G:S:R:I:V:L:N:Q:F:E:T",14.1477154154513,0.908235680148,122.741582019402,0.115264242017142,22.9578143501725,NA,1.83303094984313,4.24048522418865e-06,5.37258444573496,7.00237574052121,Inf,1.00814491180914e-07,"lineage2","other_mutations_pyrazinamide","PRO",0,"SAMN02403469","SRR1181050_SRR1180926","lineage2.2.1","za","South Africa","pnca_p.thr100pro","A","S","THR","TA100","pnca_complex.pdb"
|
||||
"A102P","L4","PZA","A","A102",102,"P",1,"MDR","OM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",3.5,-0.23,-1.249,-0.616782,-2.115,0.13,83,91,-0.862,8,8,10,0.0775193798449612,"loop",0.0333333333333332,5.51,0.0005749604714675,14.5802781289507,14.5802277940116,14.5801759034061,15.0663448164144,0,0,0,0,0,0,0,0,0,0,0,2,-2,0,0,0,0,-8,0,-2,-6,-6,0,-2,-5,-0.058257345491388,-0.322739018087855,-0.118584557409828,-0.360613810741688,0.0730337078651685,0.873684210526316,-0.71004942339374,"Destabilising","Destabilising","Stabilising","Destabilising","Stabilising","effect",-0.955,-0.827,"9:8","150/150","M:E:S:G:A:H:Q",2.6796663501904,0.0010245352377103,0.816050632122414,3.28370108999368,3.35697961122126,99.5538692592317,1.16376580853041,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,0.0001037975122989,"lineage4","other_mutations_pyrazinamide","PRO",0,"ERR2041708","ERR2041708","lineage4","rs","Serbia","pnca_p.ala102pro","A","-","ALA","AA102","pnca_complex.pdb"
|
||||
"A102R","L2","PZA","A","A102",102,"R",0,"Pre-XDR","OM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",3.5,0.174,-0.696,4.1344,-2.095,-0.28,81,91,-0.862,8,8,10,0.0775193798449612,"loop",0.0333333333333332,5.51,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-76,-30,0,0,-30,0,0,0,0,-2,0,0,-2,0,0,0,0,-12,0,-4,-10,-16,0,-12,-7,0.0780269058295964,-0.17984496124031,0.150583847493062,-0.357203751065644,-0.0732984293193717,0.852631578947368,-0.71004942339374,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.955,-0.827,"9:8","150/150","M:E:S:G:A:H:Q",-8.98740878149642,0.940032862253633,119.468044435492,-0.0752285585987749,NA,4692673.51081367,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","ARG",0,"1323P-sc-2011-10-12T14:59:30Z-1289168,ERR108503","ERR108503","lineage2.2.1","ru","Russia,Samara","pnca_p.ala102arg","A","-","ALA","AA102","pnca_complex.pdb"
|
||||
"A102T","L2","PZA","A","A102",102,"T",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",3.5,0.881,-0.719,-2.02927,-1.769,-0.2,71,85,-0.862,8,8,10,0.0775193798449612,"loop",0.0333333333333332,5.51,0.0001437401178668,19.411022297013,511754.463552419,Inf,4.73122070382274,-2,0,0,0,0,0,0,0,0,-2,0,0,-2,0,0,0,0,-5,0,-3,-3,-4,0,-2,-5,0.395067264573991,-0.18578811369509,-0.390154195185726,-0.301619778346121,-0.0523560209424083,0.747368421052632,-0.71004942339374,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.955,-0.827,"9:8","150/150","M:E:S:G:A:H:Q",13.1456002256202,0.924803768446987,139.277183326542,0.0943844491369395,0.0001628371344458,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","THR",0,"ERR234630,0365Y-sc-2012-10-11T13:37:02Z-1494116","ERR234630","lineage2.2.1","ru","Russia,Samara","pnca_p.ala102thr","A","-","ALA","AA102","pnca_complex.pdb"
|
||||
"A102V","L2","PZA","A","A102",102,"V",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",3.5,-0.162,-0.251,-1.90987,-1.389,-0.73,73,85,-0.862,8,8,10,0.0775193798449612,"loop",0.0333333333333332,5.51,0.000646830530401,2.42613636363636,2.42613901795158,2.42593660187249,0.724684701500429,-2,-26,0,0,-26,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-3,-2,-4,0,-4,-3,-0.0410334346504559,-0.0648578811369509,-0.367197954318234,-0.236828644501279,-0.19109947643979,0.768421052631579,-0.71004942339374,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.955,-0.827,"9:8","150/150","M:E:S:G:A:H:Q",0.886301112240174,0.210089452509977,0.707162944655621,1.25331950569298,0.511701209936356,9.20262713399942,0.384915207210874,0.188417082130056,0.724879726073294,0.392299288705794,11.3662890368022,0.394611528192705,"lineage2","other_mutations_pyrazinamide","VAL",0,"ERR751361","ERR751361","lineage2.2.1","pe","","pnca_p.ala102val","A","-","ALA","AA102","pnca_complex.pdb"
|
||||
"Y103C","L4","PZA","Y","Y103",103,"C",0,"Pre-MDR","DM","hydrophobic","hydrophobic","neutral","neutral","polar","non-polar",5.416,-0.48,0.606,1.02924,-0.498,1.43,68,80,-1.175,9,9,138,0.524714828897338,"loop",-0.1,3.94,0.0007187005893344,3.23621052631579,3.23621068095208,3.23583471755484,2.2626260572101,42,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,2,0,0,-2,0,-0.121580547112462,0.51530612244898,0.0374871611827009,-0.0849104859335038,0.803370786516854,0.715789473684211,-0.967874794069193,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.152,"9:9","150/150","Y:K",1.17440310243918,0.0690022741521524,0.64584247435876,1.8184048728062,0.826804878959969,11.3377530375619,0.510036766167445,0.0754031320762053,1.12261061414134,0.671078964694216,13.6617156135614,0.132529157572648,"lineage4","dr_mutations_pyrazinamide","CYS",0,"ERR2516653","ERR2516653","lineage4.8","nl","Netherlands","pnca_p.tyr103cys","A","-","TYR","YA103","pnca_complex.pdb"
|
||||
"Y103D","L2","PZA","Y","Y103",103,"D",1,"MDR","OM","hydrophobic","hydrophilic","neutral","acidic","polar","neg",5.416,0.851,1.176,1.18458,-0.578,1.51,88,91,-1.175,9,9,138,0.524714828897338,"loop",-0.1,3.94,0.0021561017680034,142.334468085106,142.334276537658,142.74783870505,128.720903887203,34,-24,0,0,-24,0,0,0,0,0,0,0,0,0,0,0,0,2,0,-2,4,-2,0,-2,-2,0.381614349775785,1,0.0431449821167112,-0.0985507246376812,0.848314606741573,0.926315789473684,-0.967874794069193,"Stabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.152,"9:9","150/150","Y:K",4.95817835126683,1.0743991920355e-06,1.01654133277845,4.87749803317387,30.4620917601388,2537.05252258235,2.1533100827021,1.23916669217761e-21,20.9068702685848,23.5556923218963,5610.51758528632,7.80576752108032e-30,"lineage2","other_mutations_pyrazinamide","ASP",0,"15MT_1210","SRR5551225","lineage2.2.1.1","pg","","pnca_p.tyr103asp","A","-","TYR","YA103","pnca_complex.pdb"
|
||||
"Y103H","L2","PZA","Y","Y103",103,"H",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","basic","polar","pos",5.416,-0.046,0.779,0.909501,-0.683,1.21,81,91,-1.175,9,9,138,0.524714828897338,"loop",-0.1,3.94,0.0001437401178668,19.411022297013,511754.463552419,Inf,4.73122070382274,22,-22,0,0,-22,0,0,0,0,-2,0,-2,0,0,0,0,0,3,0,-1,4,0,0,0,0,-0.0116514690982776,0.662414965986395,0.0331260061626323,-0.116453537936914,0.679775280898876,0.852631578947368,-0.967874794069193,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.152,"9:9","150/150","Y:K",13.1456002256202,0.924803768446986,139.27718332654,0.0943844491369405,0.0001628371344458,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","HIS",0,"SRR5709897,SAMN07236308","SRR5709897","lineage2.1","th","Thailand","pnca_p.tyr103his","A","-","TYR","YA103","pnca_complex.pdb"
|
||||
"Y103S","L2","PZA","Y","Y103",103,"S",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","neutral","polar","polar",5.416,-0.062,0.233,1.16175,-0.796,0.42,85,91,-1.175,9,9,138,0.524714828897338,"loop",-0.1,3.94,7.18700589334483e-05,9.70142977291842,188179.926264673,Inf,0.763784339928386,44,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,4,2,0,0,2,-0.0157041540020263,0.19812925170068,0.0423134638218519,-0.135720375106564,0.235955056179775,0.894736842105263,-0.967874794069193,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.152,"9:9","150/150","Y:K",12.1451538387267,0.919026337424241,119.468044436244,0.101660271548247,5.01153666061564e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","SER",0,"SRS797199","SRR1723718_SRR1723719","lineage2.2.1","cn","China:Anhui","pnca_p.tyr103ser","A","-","TYR","YA103","pnca_complex.pdb"
|
||||
"S104G","L2","PZA","S","S104",104,"G",1,"Pre-XDR","DM","hydrophilic","hydrophobic","neutral","neutral","polar","non-polar",6.519,-0.7,-0.671,3.32695,-2.163,-0.68,81,91,-1.214,9,9,1,0.0064516129032258,"loop",-0.833333333333333,5.37,0.0002156101768003,2.42493692178301,2.42493957425811,2.42473736947533,4.31445715363782e-25,4,0,0,0,0,0,0,0,0,4,0,2,2,0,0,0,0,1,0,1,0,2,0,5,15,-0.177304964539007,-0.173385012919897,0.12117476088841,-0.368797953964194,-0.178010471204189,0.852631578947368,-1,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","S",0.885806606247283,0.469406216824825,1.22442753211922,0.723445514749363,0.112662937620391,25.327054747104,0.384700446081433,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,0.999999999999476,"lineage2","dr_mutations_pyrazinamide","GLY",0,"ERS457414,SAMEA2534012","ERR551539_ERR551540","lineage2.2.1","uz","Nukus","pnca_p.ser104gly","A","-","SER","SA104","pnca_complex.pdb"
|
||||
"S104I","L4","PZA","S","S104",104,"I",NA,"MDR","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",6.519,-0.295,0.284,0.982352,-1.713,-0.39,82,91,-1.214,9,9,1,0.0064516129032258,"loop",-0.833333333333333,5.37,NA,NA,NA,NA,NA,-18,2,0,0,2,0,0,0,0,2,0,0,2,0,0,0,0,-7,0,-11,0,-10,0,-6,-6,-0.0747213779128672,0.241496598639456,0.0357793981599516,-0.292071611253197,-0.102094240837696,0.863157894736842,-1,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ILE",0,"ERR1555060","ERR1555060","lineage4.3.4.2","","","pnca_p.ser104ile","A","-","SER","SA104","pnca_complex.pdb"
|
||||
"S104R","L4","PZA","S","S104",104,"R",NA,"XDR","DM","hydrophilic","hydrophilic","neutral","basic","polar","pos",6.519,-0.438,-0.525,-0.736092,-2.325,-0.47,85,91,-1.214,9,9,1,0.0064516129032258,"loop",-0.833333333333333,5.37,0.0005749604714675,14.5802781289507,14.5802277940117,14.5801759034061,15.0663448164144,-68,-30,0,0,-30,0,0,0,0,4,0,0,4,0,0,0,0,-8,0,-4,-9,-2,0,-4,-2,-0.110942249240121,-0.135658914728682,-0.141523494578174,-0.396419437340153,-0.12303664921466,0.894736842105263,-1,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.229,-1.201,"9:9","150/150","S",2.6796663501904,0.0010245352377103,0.816050632122416,3.28370108999367,3.35697961122126,99.5538692592611,1.16376580853041,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,0.0001037975122989,"lineage4","dr_mutations_pyrazinamide","ARG",0,"2370","ERR2432994","lineage4.3.4.1","br","Brazil","pnca_p.ser104arg","A","-","SER","SA104","pnca_complex.pdb"
|
||||
"G105D","L4","PZA","G","G105",105,"D",1,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",7.858,0.709,-1.651,2.15123,-2.29,-1.54,79,85,-0.506,7,7,0,0,"helix",0.533333333333333,7.04,0.0001437401178668,19.411022297013,511754.463553489,Inf,4.73122070382274,-20,-32,0,0,-32,0,0,0,0,-2,0,2,-2,0,0,0,0,-5,0,0,-5,-18,0,-15,-25,0.317937219730942,-0.426614987080103,0.0783524792575703,-0.390451832907076,-0.403141361256544,0.831578947368421,-0.416803953871499,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","150/150","A:S:M:G:I:V:L",13.1456002256223,0.924803768447052,139.277183326685,0.0943844491368573,0.0001628371344425,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR2510421","ERR2510421","lineage4.1.1.1","pk","Pakistan","pnca_p.gly105asp","A","G","GLY","GA105","pnca_complex.pdb"
|
||||
"G105R","L2","PZA","G","G105",105,"R",1,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",7.858,-0.634,-0.974,5.20362,-1.727,-0.66,81,91,-0.506,7,7,0,0,"helix",0.533333333333333,7.04,7.18700589334483e-05,9.70142977291842,188179.926264685,Inf,0.763784339928386,-98,-50,0,-2,-48,0,0,0,0,-4,0,0,-4,0,0,0,0,-23,0,-8,-21,-22,0,-27,-39,-0.160587639311044,-0.251679586563308,0.189527167301627,-0.294458653026428,-0.172774869109948,0.852631578947368,-0.416803953871499,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","150/150","A:S:M:G:I:V:L",12.1451538387267,0.919026337424243,119.468044436248,0.101660271548245,5.01153666061226e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2516270","ERR2516270","lineage2.2.1","be","Belgium","pnca_p.gly105arg","A","G","GLY","GA105","pnca_complex.pdb"
|
||||
"G105V","L2","PZA","G","G105",105,"V",1,"Pre-XDR","DM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",7.858,-0.85,0.117,-2.03856,-1.183,-0.86,68,80,-0.506,7,7,0,0,"helix",0.533333333333333,7.04,7.18700589334483e-05,9.70142977291842,188179.926264631,Inf,0.763784339928386,-2,0,0,0,0,0,0,0,0,-2,0,-2,2,0,0,0,0,-9,0,-1,-10,-8,0,-9,-21,-0.215298885511651,0.0994897959183673,-0.391940321464277,-0.201705029838022,-0.225130890052356,0.715789473684211,-0.416803953871499,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","150/150","A:S:M:G:I:V:L",12.1451538387264,0.919026337424233,119.468044436231,0.101660271548256,5.01153666062796e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","VAL",0,"ERR2510727","ERR2510727","lineage2.2.1","it","Italy","pnca_p.gly105val","A","G","GLY","GA105","pnca_complex.pdb"
|
||||
"F106C","L4","PZA","F","F106",106,"C",0,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",10.466,-1.068,-1.594,3.977,-1.577,-2.12,59,75,-1.174,9,9,29,0.120833333333333,"helix",-0.366666666666667,5.05,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,30,-2,0,0,-2,0,0,0,0,0,0,-2,-2,0,0,0,0,8,0,7,2,10,0,2,12,-0.270516717325228,-0.411886304909561,0.144850996874977,-0.268883205456095,-0.554973821989529,0.621052631578947,-0.967051070840198,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","150/150","F:L",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987749,NA,4692673.51081193,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","CYS",0,"SAMN10961321","SRR8651642","lineage4.5","cn","China:Wenzhou","pnca_p.phe106cys","A","G","PHE","FA106","pnca_complex.pdb"
|
||||
"F106L","L1","PZA","F","F106",106,"L",0,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.466,-1.708,-1.425,1.92858,-0.947,-1.96,66,80,-1.174,9,9,29,0.120833333333333,"helix",-0.366666666666667,5.05,0.0002156101768003,2.42493692178301,2.42493957425811,2.42473736947533,4.31445715363782e-25,10,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,6,0,2,4,-0.432624113475177,-0.368217054263566,0.0702430816075292,-0.161466325660699,-0.513089005235602,0.694736842105263,-0.967051070840198,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","150/150","F:L",0.885806606247283,0.469406216824826,1.22442753211922,0.723445514749363,0.112662937620387,25.3270547471038,0.384700446081433,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,0.999999999999476,"lineage1","other_mutations_pyrazinamide","LEU",0,"ERR176618","ERR176618","lineage1.1.2","mw","Malawi","pnca_p.phe106leu","A","G","PHE","FA106","pnca_complex.pdb"
|
||||
"F106S","L4","PZA","F","F106",106,"S",1,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",10.466,-0.439,-2.455,4.86398,-1.914,-2.08,73,85,-1.174,9,9,29,0.120833333333333,"helix",-0.366666666666667,5.05,7.18700589334483e-05,9.70142977291842,188179.926264447,Inf,0.763784339928386,32,2,0,0,2,0,0,0,0,-2,0,-2,-4,0,0,0,0,8,0,4,5,6,0,-2,6,-0.111195542046606,-0.634366925064599,0.177156739195361,-0.326342710997442,-0.544502617801047,0.768421052631579,-0.967051070840198,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","150/150","F:L",12.1451538387255,0.9190263374242,119.468044436172,0.101660271548299,5.01153666068353e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR2041728","ERR2041728","lineage4.1.2.1","rs","Serbia","pnca_p.phe106ser","A","G","PHE","FA106","pnca_complex.pdb"
|
||||
"F106V","L2","PZA","F","F106",106,"V",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.466,-1.625,-1.933,3.73767,-2.02,-2.1,69,80,-1.174,9,9,29,0.120833333333333,"helix",-0.366666666666667,5.05,7.18700589334483e-05,9.70142977291842,188179.926264574,Inf,0.763784339928386,30,4,0,0,4,0,0,0,0,0,0,-2,0,0,0,0,0,6,0,4,3,10,0,2,8,-0.411600810536981,-0.499483204134367,0.136134077316997,-0.344416027280477,-0.549738219895288,0.726315789473684,-0.967051070840198,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","150/150","F:L",12.1451538387261,0.919026337424223,119.468044436213,0.101660271548269,5.01153666064512e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","VAL",0,"ERR751650","ERR751650","lineage2.2.1","th","Thailand","pnca_p.phe106val","A","G","PHE","FA106","pnca_complex.pdb"
|
||||
"E107D","L4","PZA","E","E107",107,"D",NA,"Other","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",8.13,-0.656,-0.224,0.965668,-0.917,-0.02,7,53,-0.068,5,5,88,0.394618834080717,"helix",-0.366666666666667,3.69,NA,NA,NA,NA,NA,14,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,3,0,-1,4,-6,0,-4,-4,-0.166160081053698,-0.0578811369509043,0.0351717305633054,-0.156351236146633,-0.0052356020942408,0.0736842105263158,-0.0560131795716639,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","150/150","T:S:G:A:M:D:Q:F:H:Y:E:R:V:L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ASP",0,"SRR5065629","SRR5065629","lineage4.1.2.1","vn","Vietnam","pnca_p.glu107asp","A","G","GLU","EA107","pnca_complex.pdb"
|
||||
"G108E","L2","PZA","G","G108",108,"E",NA,"XDR","OM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",10.939,0.303,-1.423,3.72313,-3.566,-0.78,39,66,-0.947,9,9,0,0,"loop",0.1,5.18,NA,NA,NA,NA,NA,-44,-66,0,0,-66,0,0,0,0,-2,0,-2,0,0,0,0,0,-13,0,-8,-9,-12,0,-15,-23,0.135874439461883,-0.367700258397933,0.13560449886727,-0.608013640238704,-0.204188481675393,0.410526315789474,-0.78006589785832,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.062,-0.872,"9:8","136/150","N:V:D:G:E:A:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","GLU",0,"ERR067605,0224V-sc-2011-09-07T13:19:04Z-1276452","ERR067605","lineage2.2.1","ru","Russia","pnca_p.gly108glu","A","-","GLY","GA108","pnca_complex.pdb"
|
||||
"G108R","","PZA","G","G108",108,"R",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",10.939,-1.199,-0.972,8.65723,-2.025,-0.81,53,75,-0.947,9,9,0,0,"loop",0.1,5.18,0.0002874802357337,4.85191417753471,4.85191414039983,4.85118443551178,1.17497090855698,-90,-46,0,0,-46,0,0,0,0,-4,0,-2,0,0,0,0,0,-22,0,-10,-18,-18,0,-17,-31,-0.303698074974671,-0.251162790697674,0.315315161095288,-0.345268542199488,-0.212041884816754,0.557894736842105,-0.78006589785832,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.062,-0.872,"9:8","136/150","N:V:D:G:E:A:P",1.57937329521209,0.114342297004303,1.0002536454007,1.57897279602454,0.581889091312071,40.456291107579,0.685913110299906,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,0.278382201819561,"","dr_mutations_pyrazinamide","ARG",0,"SRR5818423","SRR5818423","","dj","Djibouti","pnca_p.gly108arg","A","-","GLY","GA108","pnca_complex.pdb"
|
||||
"D110H","L1","PZA","D","D110",110,"H",NA,"Sensitive","OM","hydrophilic","hydrophobic","acidic","basic","neg","pos",16.281,-1.3,-0.761,3.05477,-0.614,-0.26,-18,57,0.526,3,3,17,0.0880829015544041,"loop",-0.933333333333333,4.81,NA,NA,NA,NA,NA,-10,20,0,0,20,0,0,0,0,-2,0,0,0,0,0,0,0,-3,0,-3,-1,0,0,2,0,-0.329280648429585,-0.196640826873385,0.111261372824685,-0.104688832054561,-0.0680628272251308,-0.193548387096774,0.168589743589744,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.225,0.59,"4:3","128/150","Q:H:E:K:R:L:N:T:A:G:S:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","HIS",0,"ERR3256124","ERR3256124","lineage1.2.1","ph","Philippines","pnca_p.asp110his","A","-","ASP","DA110","pnca_complex.pdb"
|
||||
"E111D","L3;L4","PZA","E","E111",111,"D",NA,"Pre-MDR","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",18.382,0.103,0.156,0.183196,-0.053,-0.32,-55,78,1.616,1,1,167,0.748878923766816,"loop",-3.5,3.55,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0.0461883408071748,0.13265306122449,0.00667239708913963,-0.00903665814151748,-0.0837696335078534,-0.591397849462366,0.517948717948718,"Stabilising","Stabilising","Destabilising","Destabilising","Destabilising","neutral",1.183,1.712,"1:1","132/150","T:M:S:G:A:P:D:F:E:Q:L:V:N:R:K",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987759,NA,4692673.51081035,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3;lineage4","other_mutations_pyrazinamide","ASP",0,"SRR6325444","SRR6325444","lineage4.3;lineage3","us","","pnca_p.glu111asp","A","S","GLU","EA111","pnca_complex.pdb"
|
||||
"N112Y","L1","PZA","N","N112",112,"Y",NA,"Sensitive","OM","hydrophilic","hydrophobic","neutral","neutral","polar","polar",19.93,-0.261,-0.378,4.97901,-0.297,-0.25,26,63,0.77,2,2,109,0.558974358974359,"loop",-2.46666666666667,3.54,NA,NA,NA,NA,NA,-10,2,0,0,2,0,0,0,0,2,0,2,4,0,0,0,0,0,0,2,1,4,0,0,4,-0.0661094224924012,-0.0976744186046511,0.181346382185185,-0.0506393861892583,-0.0654450261780104,0.273684210526316,0.246794871794872,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.389,0.842,"4:2","131/150","K:R:N:V:Q:E:H:D:P:S:M:G:A:T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","TYR",0,"SRR6152963","SRR6152963","lineage1.2.1","ca","Canada","pnca_p.asn112tyr","A","S","ASN","NA112","pnca_complex.pdb"
|
||||
"T114M","L2","PZA","T","T114",114,"M",NA,"Sensitive","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",17.491,-1.152,0.246,-0.0405939,-0.077,0.38,25,63,-0.224,6,6,29,0.168604651162791,"loop",-0.9,4.57,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-8,0,0,0,0,0,0,0,0,-2,0,-2,2,0,0,0,0,-6,0,0,-6,0,0,0,2,-0.291793313069909,0.209183673469388,-0.00780471814196724,-0.0131287297527707,0.213483146067416,0.263157894736842,-0.184514003294893,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-0.411,-0.147,"7:6","148/150","S:A:P:D:H:K:T:W:E:Q:V:N:L:I:R:C",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987751,NA,4692673.51081327,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","MET",0,"ERR1034985","ERR1034985","lineage2.2.1.1","za","South Africa","pnca_p.thr114met","A","-","THR","TA114","pnca_complex.pdb"
|
||||
"T114P","L2","PZA","T","T114",114,"P",1,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",17.491,-1.322,-0.651,5.39158,-2.268,-0.1,34,66,-0.224,6,6,29,0.168604651162791,"loop",-0.9,4.57,7.18700589334483e-05,9.70142977291842,188179.926264667,Inf,0.763784339928386,4,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,-2,2,-4,0,4,0,-2,6,-0.334853090172239,-0.168217054263566,0.196373079640732,-0.386700767263427,-0.0261780104712041,0.357894736842105,-0.184514003294893,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.147,"7:6","148/150","S:A:P:D:H:K:T:W:E:Q:V:N:L:I:R:C",12.1451538387266,0.91902633742424,119.468044436242,0.101660271548248,5.01153666061746e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERS456781","ERR550668_ERR550667_ERR550669","lineage2.2.1","uz","Nukus","pnca_p.thr114pro","A","-","THR","TA114","pnca_complex.pdb"
|
||||
"P115L","L2","PZA","P","P115",115,"L",0,"Sensitive","OM","hydrophilic","hydrophobic","non-polar","non-polar","non-polar","non-polar",16.985,-0.972,-0.448,0.979724,-0.8,-0.55,8,53,0.774,2,2,50,0.314465408805031,"strand",0.5,4.3,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-14,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-8,0,-4,-5,-2,0,-2,0,-0.246200607902736,-0.115762273901809,0.0356836806794921,-0.136402387041773,-0.143979057591623,0.0842105263157895,0.248076923076923,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.389,0.842,"4:2","147/150","T:G:A:S:P:D:E:Q:L:N:K:R",-8.98740878149641,0.940032862253632,119.46804443549,-0.0752285585987761,NA,4692673.51081015,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","LEU",0,"non-MDR_11204","SRR6824507","lineage2.2.1","cn","China: Jianggan District, Hangzhou City, Zhejiang Province","pnca_p.pro115leu","A","B","PRO","PA115","pnca_complex.pdb"
|
||||
"L116P","L4","PZA","L","L116",116,"P",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",13.071,-1.504,-1.386,3.74372,-2.595,0.06,89,91,-0.924,8,8,0,0,"helix",2,6.86,0.0002156101768003,9.70466975178797,9.70465898653047,9.70194990589383,2.29168245016684,18,0,0,0,0,0,0,0,0,2,2,-2,0,0,0,0,0,-3,2,-3,-2,8,0,0,8,-0.380952380952381,-0.358139534883721,0.136354431486243,-0.442455242966752,0.0337078651685393,0.936842105263158,-0.761120263591433,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-1.028,-0.872,"9:8","147/150","I:V:L:M:A:T:F",2.27260607808816,0.0634455902260904,1.22442760158496,1.8560559033024,0.929172866365899,208.881603004966,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR2510202","ERR2510202","lineage4.3.4.2","pe","Peru","pnca_p.leu116pro","A","H","LEU","LA116","pnca_complex.pdb"
|
||||
"L116R","L2","PZA","L","L116",116,"R",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",13.071,-0.78,-1.733,4.65552,-4.189,-1.89,85,91,-0.924,8,8,0,0,"helix",2,6.86,7.18700589334483e-05,9.70142977291842,188179.926264668,Inf,0.763784339928386,-54,-52,0,-2,-50,0,0,0,0,-2,0,-2,-2,0,0,0,0,-6,0,1,-7,-4,0,-12,0,-0.197568389057751,-0.447803617571059,0.169564172233189,-0.714236999147485,-0.494764397905759,0.894736842105263,-0.761120263591433,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.028,-0.872,"9:8","147/150","I:V:L:M:A:T:F",12.1451538387266,0.91902633742424,119.468044436243,0.101660271548248,5.01153666061721e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","ARG",0,"SAMN02584643","SRR1166113_SRR1169084","lineage2.2.1","md","Moldova","pnca_p.leu116arg","A","H","LEU","LA116","pnca_complex.pdb"
|
||||
"L116V","L2","PZA","L","L116",116,"V",0,"XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",13.071,-1.648,-1.084,1.87491,-1.706,0.62,48,71,-0.924,8,8,0,0,"helix",2,6.86,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,20,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,2,0,2,0,2,0,0,2,-0.41742654508612,-0.280103359173127,0.0682883033821633,-0.290878090366581,0.348314606741573,0.505263157894737,-0.761120263591433,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-1.028,-0.872,"9:8","147/150","I:V:L:M:A:T:F",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987746,NA,4692673.510814,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","dr_mutations_pyrazinamide","VAL",0,"ERS1831679","ERR2041934","lineage2.2.1","","Germany_extendedCAO","pnca_p.leu116val","A","H","LEU","LA116","pnca_complex.pdb"
|
||||
"L117R","L2","PZA","L","L117",117,"R",0,"MDR","OM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",17.11,-0.585,-0.678,0.0947913,-1.884,-0.23,9,53,0.447,3,3,50,0.248756218905473,"helix",1.36666666666667,4.46,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-28,-26,0,-2,-24,0,0,0,0,-2,0,-2,-2,0,0,0,0,4,0,1,4,2,0,2,0,-0.148176291793313,-0.175193798449612,0.0034525054815376,-0.321227621483376,-0.0602094240837696,0.0947368421052632,0.143269230769231,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.083,0.59,"5:3","147/150","D:P:G:S:A:T:K:V:L:E:H",-8.98740878149642,0.940032862253633,119.468044435491,-0.0752285585987753,NA,4692673.51081308,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","ARG",0,"MDR_25142","SRR6824543","lineage2.2.1","cn","China: Tonghai County, Yuxi City, Yunnan Province","pnca_p.leu117arg","A","H","LEU","LA117","pnca_complex.pdb"
|
||||
"N118E","L4","PZA","N","N118",118,"E",NA,"Pre-MDR","OM","hydrophilic","hydrophilic","neutral","acidic","polar","neg",19.738,-0.713,0.78,-2.32726,0.371,-0.19,-29,61,0.692,2,2,80,0.41025641025641,"helix",-0.2,4.06,NA,NA,NA,NA,NA,-6,-14,0,0,-14,0,0,0,0,-2,0,0,-4,0,0,0,0,0,0,0,-2,-2,0,0,0,-0.180597771023303,0.663265306122449,-0.447446743059294,0.313344594594595,-0.0497382198952879,-0.311827956989247,0.221794871794872,"Destabilising","Stabilising","Stabilising","Stabilising","Destabilising","neutral",0.389,0.842,"4:2","146/150","N:R:K:E:Y:Q:D:A:M:S:G:T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLU",0,"SRR6325445","SRR6325445","lineage4.3","us","","pnca_p.asn118glu","A","H","ASN","NA118","pnca_complex.pdb"
|
||||
"W119C","L2","PZA","W","W119",119,"C",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",19.722,-1.498,-1.743,4.0665,-2.343,-1.91,48,71,0.224,4,4,14,0.0491228070175438,"helix",-0.2,5.7,7.18700589334483e-05,9.70142977291842,188179.926264578,Inf,0.763784339928386,42,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,3,0,-1,4,12,0,10,10,-0.379432624113475,-0.450387596899225,0.148110781692757,-0.399488491048593,-0.5,0.505263157894737,0.0717948717948718,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","146/150","T:G:S:M:A:W:Q:F:E:Y:I:R:L:V",12.1451538387261,0.919026337424224,119.468044436214,0.101660271548269,5.01153666064432e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","CYS",0,"SRR5266547","SRR5266547","lineage2.2.1","ru","Russia","pnca_p.trp119cys","A","H","TRP","WA119","pnca_complex.pdb"
|
||||
"W119G","L4","PZA","W","W119",119,"G",1,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",19.722,-1.84,-2.983,5.88168,-3.318,-3.39,70,85,0.224,4,4,14,0.0491228070175438,"helix",-0.2,5.7,0.0001437401178668,19.411022297013,511754.463552391,Inf,4.73122070382274,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,-3,6,18,0,15,31,-0.466058763931104,-0.770801033591731,0.214223588458541,-0.565728900255755,-0.887434554973822,0.736842105263158,0.0717948717948718,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","146/150","T:G:S:M:A:W:Q:F:E:Y:I:R:L:V",13.1456002256201,0.924803768446985,139.277183326538,0.0943844491369419,0.0001628371344459,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR2516678","ERR2516678","lineage4","pe","Peru","pnca_p.trp119gly","A","H","TRP","WA119","pnca_complex.pdb"
|
||||
"W119L","L2","PZA","W","W119",119,"L",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",19.722,-2.11,-1.981,2.39227,-1.186,-1.92,32,66,0.224,4,4,14,0.0491228070175438,"helix",-0.2,5.7,NA,NA,NA,NA,NA,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,12,0,6,8,-0.534447821681864,-0.511886304909561,0.0871316807377676,-0.202216538789429,-0.50261780104712,0.336842105263158,0.0717948717948718,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","146/150","T:G:S:M:A:W:Q:F:E:Y:I:R:L:V",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","LEU",0,"ERR775375","ERR775375","lineage2.2.1","pe","","pnca_p.trp119leu","A","H","TRP","WA119","pnca_complex.pdb"
|
||||
"W119R","L2","PZA","W","W119",119,"R",0,"MDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",19.722,-0.807,-1.874,3.61213,-2.916,-1.89,70,85,0.224,4,4,14,0.0491228070175438,"helix",-0.2,5.7,0.0005030904125341,6.47410526315789,6.47410517670654,6.47281975099898,5.34879705543722,-4,-30,0,-2,-28,0,0,0,0,-2,0,0,-2,0,0,0,0,-2,0,-5,-1,0,0,2,0,-0.204407294832827,-0.484237726098191,0.131561637249689,-0.497186700767263,-0.494764397905759,0.736842105263158,0.0717948717948718,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","146/150","T:G:S:M:A:W:Q:F:E:Y:I:R:L:V",1.86781040138793,0.0145043045254536,0.764079088633846,2.44452495713176,1.4262375473788,32.8877353882417,0.811179756363585,0.0192724555107824,1.71506294819644,1.09429403734416,44.2397805449942,0.0207365726835135,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2516865","ERR2516865","lineage2.2.1","gb","UK","pnca_p.trp119arg","A","H","TRP","WA119","pnca_complex.pdb"
|
||||
"W119S","L4","PZA","W","W119",119,"S",1,"MDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",19.722,-0.995,-3.136,4.6385,-2.258,-3.44,66,80,0.224,4,4,14,0.0491228070175438,"helix",-0.2,5.7,0.0001437401178668,19.411022297013,511754.463554449,Inf,4.73122070382274,44,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,6,0,0,6,14,0,10,12,-0.252026342451874,-0.810335917312662,0.16894426678516,-0.384995737425405,-0.900523560209424,0.694736842105263,0.0717948717948718,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","146/150","T:G:S:M:A:W:Q:F:E:Y:I:R:L:V",13.1456002256241,0.924803768447112,139.277183326815,0.0943844491367826,0.0001628371344395,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR2516993","ERR2516993","lineage4.1.2.1","gb","UK","pnca_p.trp119ser","A","H","TRP","WA119","pnca_complex.pdb"
|
||||
"L120P","L4","PZA","L","L120",120,"P",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",17.55,-1.644,-2.181,7.59698,-4.748,-1.51,79,85,-1.142,9,9,0,0,"helix",-0.533333333333334,8.07,0.0018686215322696,254.917127071823,3820001.12561286,Inf,120.509921037495,16,16,0,0,16,0,0,0,0,2,2,2,-2,0,0,0,0,0,4,-4,-2,8,0,2,4,-0.416413373860182,-0.563565891472868,0.276698548212035,-0.809548167092924,-0.395287958115183,0.831578947368421,-0.940691927512356,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.201,-1.124,"9:9","147/150","F:V:L",15.1557612752458,0.885234541058746,105.002771503186,0.14433677376588,15316.7789340045,20462689242793896,2.40639901531589,1.01650823124183e-20,19.9928891002838,32.1173872780919,Inf,4.89215110948636e-28,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR3148160","ERR3148160","lineage4.1.1.3","mx","Mexico","pnca_p.leu120pro","A","H","LEU","LA120","pnca_complex.pdb"
|
||||
"L120R","L3","PZA","L","L120",120,"R",1,"Pre-XDR","OM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",17.55,-0.772,-2.51,5.6624,-4.716,-1.93,74,85,-1.142,9,9,0,0,"helix",-0.533333333333334,8.07,0.0005030904125341,12.1451137320977,12.1450773794065,12.1416664151504,11.0019205274607,-44,-32,0,-2,-30,0,0,0,0,0,0,0,0,0,0,0,0,-8,0,0,-13,-8,0,-12,-4,-0.195542046605876,-0.648578811369509,0.206236933544096,-0.804092071611253,-0.505235602094241,0.778947368421053,-0.940691927512356,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.201,-1.124,"9:9","147/150","F:V:L",2.4969239337312,0.0028293218857323,0.83629495944555,2.98569769616526,2.61610833083038,84.8371270839259,1.08440158608155,0.0022516005975125,2.64750864476206,1.98635523014012,127.719946645636,0.0009101752788745,"lineage3","other_mutations_pyrazinamide","ARG",0,"ERR3335799","ERR3335799","lineage3","pk","Pakistan","pnca_p.leu120arg","A","H","LEU","LA120","pnca_complex.pdb"
|
||||
"R121P","L2","PZA","R","R121",121,"P",NA,"Pre-XDR","DM","hydrophilic","hydrophilic","basic","non-polar","pos","non-polar",22.533,-1.047,-0.46,4.90155,-1.076,-0.11,77,85,0.506,3,3,125,0.456204379562044,"helix",-1.4,3.76,7.18700589334483e-05,9.70142977291842,188179.926264617,Inf,0.763784339928386,40,20,0,2,18,0,0,0,0,4,2,2,0,0,0,0,0,0,4,-3,-2,4,0,4,0,-0.265197568389058,-0.118863049095607,0.178525120375294,-0.183461210571185,-0.0287958115183246,0.810526315789474,0.162179487179487,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.225,0.59,"4:3","147/150","D:T:A:S:G:L:N:C:R:K:I:H:E:Q",12.1451538387264,0.919026337424231,119.468044436227,0.101660271548259,5.01153666063191e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERR1213849","ERR1213849","lineage2.2.2","kr","South Korea","pnca_p.arg121pro","A","H","ARG","RA121","pnca_complex.pdb"
|
||||
"R121Q","L1","PZA","R","R121",121,"Q",0,"Other","OM","hydrophilic","hydrophilic","basic","neutral","pos","polar",22.533,-0.674,-0.169,1.41722,-0.286,-0.53,1,53,0.506,3,3,125,0.456204379562044,"helix",-1.4,3.76,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,22,18,0,2,16,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,0,-1,-2,0,-2,2,-0.170719351570415,-0.0436692506459948,0.0516182373123347,-0.0487638533674339,-0.138743455497382,0.0105263157894737,0.162179487179487,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.225,0.59,"4:3","147/150","D:T:A:S:G:L:N:C:R:K:I:H:E:Q",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987758,NA,4692673.51080988,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage1","other_mutations_pyrazinamide","GLN",0,"SAMEA2297105,ERS389492,ERR400534","ERR400534","lineage1.2.1","gb","United Kingdom","pnca_p.arg121gln","A","H","ARG","RA121","pnca_complex.pdb"
|
||||
"R121W","L2","PZA","R","R121",121,"W",NA,"Sensitive","OM","hydrophilic","hydrophobic","basic","non-polar","pos","non-polar",22.533,-0.426,-0.538,1.95975,-0.442,-0.5,70,85,0.506,3,3,125,0.456204379562044,"helix",-1.4,3.76,NA,NA,NA,NA,NA,6,18,0,2,16,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,-4,0,-6,-2,-0.10790273556231,-0.139018087855297,0.0713783608563582,-0.0753623188405797,-0.130890052356021,0.736842105263158,0.162179487179487,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.225,0.59,"4:3","147/150","D:T:A:S:G:L:N:C:R:K:I:H:E:Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","TRP",0,"ERR234139","ERR234139","lineage2.2.1","cn","China","pnca_p.arg121trp","A","H","ARG","RA121","pnca_complex.pdb"
|
||||
"Q122R","L4","PZA","Q","Q122",122,"R",NA,"Sensitive","OM","hydrophilic","hydrophilic","neutral","basic","polar","pos",24.683,-0.114,0.113,-1.69455,-0.152,-0.16,-41,72,1.334,1,1,132,0.586666666666667,"loop",-4.16666666666667,3.49,NA,NA,NA,NA,NA,-24,-1,0,0,-1,0,0,0,0,2,0,-2,0,0,0,0,0,2,0,3,-1,2,0,0,2,-0.0288753799392097,0.0960884353741496,-0.325799815427209,-0.0259164535379369,-0.0418848167539267,-0.440860215053763,0.427564102564103,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","neutral",0.842,1.712,"2:1","147/150","D:T:S:M:A:G:K:R:N:Q:H:E:Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ARG",0,"ERR2229385","ERR2229385","lineage4.8","dk","","pnca_p.gln122arg","A","T","GLN","QA122","pnca_complex.pdb"
|
||||
"R123G","L1","PZA","R","R123",123,"G",NA,"MDR","OM","hydrophilic","hydrophobic","basic","neutral","pos","non-polar",23.59,-1.129,-1.212,2.77078,-1.005,-0.9,51,75,0.659,3,3,98,0.357664233576642,"loop",-2.8,3.81,NA,NA,NA,NA,NA,50,16,0,2,14,0,0,0,0,2,0,0,2,0,0,0,0,1,0,3,-3,6,0,11,17,-0.28596757852077,-0.313178294573643,0.100917838853721,-0.171355498721228,-0.235602094240838,0.536842105263158,0.211217948717949,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.389,0.842,"4:2","147/150","Q:H:F:Y:E:K:I:C:R:N:V:L:T:A:M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","GLY",0,"ERR1213910","ERR1213910","lineage1.2.1","ph","Philippines","pnca_p.arg123gly","A","T","ARG","RA123","pnca_complex.pdb"
|
||||
"R123P","L2","PZA","R","R123",123,"P",1,"Pre-XDR","DM","hydrophilic","hydrophilic","basic","non-polar","pos","non-polar",23.59,-0.955,-0.348,3.53353,-1.065,-0.23,54,75,0.659,3,3,98,0.357664233576642,"loop",-2.8,3.81,0.0001437401178668,19.411022297013,511754.463554485,Inf,4.73122070382274,42,16,0,2,14,0,0,0,0,3,0,1,2,0,0,0,0,4,2,-2,0,6,0,2,4,-0.241894630192503,-0.089922480620155,0.12869885415832,-0.181585677749361,-0.0602094240837696,0.568421052631579,0.211217948717949,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.389,0.842,"4:2","147/150","Q:H:F:Y:E:K:I:C:R:N:V:L:T:A:M",13.1456002256242,0.924803768447114,139.27718332682,0.0943844491367796,0.0001628371344393,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERS458430,SAMEA2535028","ERR552955_ERR552956","lineage2.2.1","uz","Nukus","pnca_p.arg123pro","A","T","ARG","RA123","pnca_complex.pdb"
|
||||
"G124R","L4","PZA","G","G124",124,"R",NA,"Pre-MDR","OM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",26.025,-0.075,-0.757,-0.489243,-0.439,-0.47,28,63,1.071,1,1,36,0.346153846153846,"loop",-0.233333333333333,3.58,NA,NA,NA,NA,NA,-20,-14,0,-2,-12,0,0,0,0,-2,0,0,-2,0,0,0,0,-2,0,-5,-2,4,0,-1,1,-0.0189969604863221,-0.195607235142119,-0.0940634853495347,-0.0748508098891731,-0.12303664921466,0.294736842105263,0.343269230769231,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",0.59,1.183,"3:1","147/150","A:S:G:D:Q:E:R:K:N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ARG",0,"ERR3148213","ERR3148213","lineage4.3.4.1","mx","Mexico","pnca_p.gly124arg","A","T","GLY","GA124","pnca_complex.pdb"
|
||||
"G124S","L1","PZA","G","G124",124,"S",0,"Sensitive","OM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",26.025,0.612,-1.24,1.1133,-0.85,-0.39,-22,61,1.071,1,1,36,0.346153846153846,"loop",-0.233333333333333,3.58,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-1,0,-3,0,0,0,-3,-9,0.274439461883408,-0.320413436692506,0.0405488093590425,-0.144927536231884,-0.102094240837696,-0.236559139784946,0.343269230769231,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.59,1.183,"3:1","147/150","A:S:G:D:Q:E:R:K:N",-8.98740878149641,0.940032862253633,119.46804443549,-0.0752285585987759,NA,4692673.51081215,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage1","other_mutations_pyrazinamide","SER",0,"ERR2513039","ERR2513039","lineage1.1.2","gb","UK","pnca_p.gly124ser","A","T","GLY","GA124","pnca_complex.pdb"
|
||||
"V125A","L1","PZA","V","V125",125,"A",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",21.367,-1.941,-2.449,2.08114,-2.189,-1.89,49,71,-0.095,5,5,0,0,"loop",0.1,6.12,NA,NA,NA,NA,NA,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,2,4,0,4,5,-0.491641337386018,-0.6328165374677,0.0757996488902163,-0.373231031543052,-0.494764397905759,0.515789473684211,-0.0782537067545305,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","147/150","I:L:V:Q:F:A:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","ALA",0,"DRR185019","DRR185019","lineage1.1.1","vn","Vietnam","pnca_p.val125ala","A","-","VAL","VA125","pnca_complex.pdb"
|
||||
"V125D","L4","PZA","V","V125",125,"D",NA,"Other","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",21.367,-0.358,-3.013,3.9883,-4.507,-2.67,74,85,-0.095,5,5,0,0,"loop",0.1,6.12,0.0002156101768003,0.807902480033628,4.5966027178939e-05,0,0.000393645565148,-8,-32,0,-2,-30,0,0,0,0,-2,0,-2,0,0,0,0,0,-8,0,-6,-1,2,0,2,-2,-0.0906788247213779,-0.778552971576227,0.145262567472082,-0.76845694799659,-0.698952879581152,0.778947368421053,-0.0782537067545305,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","147/150","I:L:V:Q:F:A:E",-9.98760797391818,0.930014323968984,113.719344729606,-0.0878268160765965,NA,127.948735098941,-0.0926410587047397,1,0,0,11.7369754738005,0.984170607395186,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR2229701","ERR2229701","lineage4.8","dk","","pnca_p.val125asp","A","-","VAL","VA125","pnca_complex.pdb"
|
||||
"V125F","L2","PZA","V","V125",125,"F",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",21.367,-1.707,-1.739,4.56,-1.65,-1.72,48,71,-0.095,5,5,0,0,"loop",0.1,6.12,0.0001437401178668,1.2119588062211,4.59700131334263e-05,0,1.01056822389159e-25,-20,-4,0,-2,-2,0,0,0,0,0,0,0,0,0,0,0,0,-11,0,-6,-10,-2,0,-6,-2,-0.432370820668693,-0.449354005167959,0.166085125911465,-0.281329923273657,-0.450261780104712,0.505263157894737,-0.0782537067545305,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","147/150","I:L:V:Q:F:A:E",-9.98752126245059,0.942832958100734,139.277183325398,-0.0717096729269461,NA,144471.706314848,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","other_mutations_pyrazinamide","PHE",0,"SRR1710096","SRR1710096","lineage2.2.1","cn","","pnca_p.val125phe","A","-","VAL","VA125","pnca_complex.pdb"
|
||||
"V125G","L4","PZA","V","V125",125,"G",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",21.367,-1.814,-3.005,3.83404,-3.24,-2.63,70,85,-0.095,5,5,0,0,"loop",0.1,6.12,0.0031622825930717,67.409751924722,67.4093600119011,67.3855171102593,174.918303180059,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-1,0,8,0,13,21,-0.459473150962513,-0.776485788113695,0.139644082488946,-0.552429667519182,-0.68848167539267,0.736842105263158,-0.0782537067545305,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.332,-0.038,"6:5","147/150","I:L:V:Q:F:A:E",4.21078388085649,1.83664466117051e-12,0.597583217500306,7.04635564979589,24.5112444006964,278.636893097378,1.82872272889042,2.05851007546474e-28,27.6864470029886,21.4729050424094,338.090551978209,6.23802610818127e-40,"lineage4","dr_mutations_pyrazinamide","GLY",0,"ERR275229","ERR275229","lineage4.3.4.2","pt","Portugal","pnca_p.val125gly","A","-","VAL","VA125","pnca_complex.pdb"
|
||||
"D126E","L4","PZA","D","D126",126,"E",NA,"Pre-XDR","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",23.083,0.035,-0.157,-0.565957,-0.068,-0.55,-71,87,3.12,1,1,66,0.341968911917098,"loop",-0.933333333333333,4.35,NA,NA,NA,NA,NA,-2,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,0,-1,0,0,0,-2,0.0156950672645739,-0.0405684754521963,-0.108812773975236,-0.0115942028985507,-0.143979057591623,-0.763440860215054,1,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",1.712,3.125,"1:1","147/150","D:T:M:S:A:G:L:N:V:K:R:H:E:Y:Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLU",0,"SAMN01925669","SRR847782_SRR924233","lineage4.3.3","za","South Africa","pnca_p.asp126glu","A","-","ASP","DA126","pnca_complex.pdb"
|
||||
"E127D","L4","PZA","E","E127",127,"D",NA,"Pre-XDR","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",20.54,-1.005,-1.341,2.77841,-0.674,-1.29,-42,72,0.916,2,2,55,0.246636771300448,"strand",-0.933333333333333,5.17,NA,NA,NA,NA,NA,6,-2,0,0,-2,0,0,0,0,2,0,0,2,0,0,0,0,-3,0,-2,-3,0,0,0,0,-0.254559270516717,-0.346511627906977,0.101195740062209,-0.114919011082694,-0.337696335078534,-0.451612903225806,0.293589743589744,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.59,1.183,"3:1","147/150","D:T:S:G:A:R:K:N:L:Q:H:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ASP",0,"SAMN02628491","SRR1180156_SRR1172164_SRR1172203_SRR1183110","lineage4.3","ir","Iran","pnca_p.glu127asp","A","E","GLU","EA127","pnca_complex.pdb"
|
||||
"E127V","L2","PZA","E","E127",127,"V",NA,"Pre-XDR","OM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",20.54,-2.247,0.454,-0.86796,-0.221,-0.33,12,59,0.916,2,2,55,0.246636771300448,"strand",-0.933333333333333,5.17,NA,NA,NA,NA,NA,14,24,0,4,20,0,0,0,0,2,0,0,2,0,0,0,0,-3,0,-3,0,-2,0,-2,-2,-0.569148936170213,0.386054421768707,-0.166876874567408,-0.0376811594202899,-0.0863874345549738,0.126315789473684,0.293589743589744,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","effect",0.59,1.183,"3:1","147/150","D:T:S:G:A:R:K:N:L:Q:H:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","VAL",0,"SRS797287","SRR1723816","lineage2.2.1","cn","China:Guangdong","pnca_p.glu127val","A","E","GLU","EA127","pnca_complex.pdb"
|
||||
"V128F","L2","PZA","V","V128",128,"F",1,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",16.575,-2.082,-1.849,2.63855,-1.167,-1.73,58,75,-0.394,6,6,0,0,"strand",-0.933333333333333,8.31,7.18700589334483e-05,9.70142977291842,188179.926264397,Inf,0.763784339928386,-34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-11,0,-3,-10,-4,0,-2,-8,-0.527355623100304,-0.477777777777778,0.0961017344240561,-0.198976982097187,-0.452879581151832,0.610526315789474,-0.324546952224053,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.332,"7:6","147/150","V:L:I:A",12.1451538387252,0.919026337424191,119.468044436157,0.101660271548309,5.01153666069775e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","PHE",0,"ERR552933,SAMEA2535011,ERS458413","ERR552933","lineage2.2.1","uz","Nukus","pnca_p.val128phe","A","E","VAL","VA128","pnca_complex.pdb"
|
||||
"V128G","","PZA","V","V128",128,"G",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",16.575,-1.823,-3.564,4.66562,-4.952,-3.82,75,85,-0.394,6,6,0,0,"strand",-0.933333333333333,8.31,0.0010061808250682,29.234474017744,29.2344625578696,29.200882251631,41.8296883276733,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,7,23,-0.461752786220871,-0.920930232558139,0.169932036218213,-0.844330775788576,-1,0.789473684210526,-0.324546952224053,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.553,-0.332,"7:6","147/150","V:L:I:A",3.37534823794128,9.91219225447489e-06,0.763812419492775,4.41908006704415,7.9656644717311,187.959563815878,1.46589528448265,3.94377277607243e-08,7.40408811526751,6.49943487243223,267.206211303594,9.95798685333635e-11,"","dr_mutations_pyrazinamide","GLY",0,"SRR5818412","SRR5818412","","dj","Djibouti","pnca_p.val128gly","A","E","VAL","VA128","pnca_complex.pdb"
|
||||
"D129G","L4","PZA","D","D129",129,"G",0,"MDR","OM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",14.781,-3.948,-0.65,4.68356,-2.685,-0.43,77,85,0.074,5,5,0,0,"strand",1.63333333333333,7.77,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,34,36,0,4,32,0,0,0,0,4,0,0,4,0,0,0,0,4,0,0,4,4,0,11,19,-1,-0.167958656330749,0.170585450068838,-0.457800511508951,-0.112565445026178,0.810526315789474,0.0237179487179487,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","I:V:L:E:Y:H:F:D:W:S:A:T",-8.98740878149641,0.940032862253633,119.468044435492,-0.0752285585987749,NA,4692673.51081121,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR2516980","ERR2516980","lineage4.8","gb","UK","pnca_p.asp129gly","A","E","ASP","DA129","pnca_complex.pdb"
|
||||
"D129N","L4","PZA","D","D129",129,"N",NA,"Sensitive","OM","hydrophilic","hydrophilic","acidic","neutral","neg","polar",14.781,-3.245,-0.735,1.83782,-2.127,-0.87,72,85,0.074,5,5,0,0,"strand",1.63333333333333,7.77,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-2,38,0,4,34,0,0,0,0,-2,0,-2,0,0,0,0,0,0,0,-1,0,0,0,2,0,-0.82193515704154,-0.189922480620155,0.0669374048470633,-0.362659846547315,-0.227748691099476,0.757894736842105,0.0237179487179487,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","I:V:L:E:Y:H:F:D:W:S:A:T",-8.98740878149641,0.940032862253634,119.468044435493,-0.0752285585987741,NA,4692673.51081231,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","ASN",0,"ERR190405","ERR190405","lineage4.3.4.1","mw","Malawi","pnca_p.asp129asn","A","E","ASP","DA129","pnca_complex.pdb"
|
||||
"D129Y","L2","PZA","D","D129",129,"Y",NA,"Pre-MDR","OM","hydrophilic","hydrophobic","acidic","neutral","neg","polar",14.781,-2.832,0.187,3.80937,0.436,0.12,42,71,0.074,5,5,0,0,"strand",1.63333333333333,7.77,7.18700589334483e-05,9.70142977291842,188179.926264589,Inf,0.763784339928386,-40,34,0,4,30,0,0,0,0,4,0,0,2,0,0,0,0,-8,0,-3,-5,8,0,4,2,-0.717325227963526,0.159013605442177,0.138745547388894,0.368243243243243,0.0674157303370786,0.442105263157895,0.0237179487179487,"Destabilising","Stabilising","Destabilising","Stabilising","Stabilising","effect",-0.147,0.225,"6:4","147/150","I:V:L:E:Y:H:F:D:W:S:A:T",12.1451538387262,0.919026337424226,119.468044436217,0.101660271548266,5.0115366606409e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","TYR",0,"SRR5074094","SRR5074094","lineage2.2.1.1","vn","Vietnam","pnca_p.asp129tyr","A","E","ASP","DA129","pnca_complex.pdb"
|
||||
"V130A","L2","PZA","V","V130",130,"A",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.402,-1.377,-2.827,3.70939,-2.959,-2.32,51,75,0.064,5,5,0,0,"strand",1.63333333333333,11.27,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,2,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,3,0,3,0,4,0,4,3,-0.348784194528875,-0.730490956072351,0.135104058158932,-0.504518329070759,-0.607329842931937,0.536842105263158,0.0205128205128205,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","M:F:D:C:I:L:V",-8.98740878149641,0.940032862253633,119.468044435491,-0.0752285585987751,NA,4692673.51081327,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","dr_mutations_pyrazinamide","ALA",0,"ERR029210","ERR029210","lineage2.2.1","nl","Netherlands","pnca_p.val130ala","A","E","VAL","VA130","pnca_complex.pdb"
|
||||
"V130E","L2","PZA","V","V130",130,"E",1,"MDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",10.402,-0.292,-3.207,5.05456,-5.67,-1.74,75,85,0.064,5,5,0,0,"strand",1.63333333333333,11.27,0.0001437401178668,19.411022297013,511754.46355254,Inf,4.73122070382274,-46,-56,0,-4,-52,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,0,-5,-2,0,2,-4,-0.0739614994934143,-0.828682170542636,0.184098077637512,-0.966751918158568,-0.455497382198953,0.789473684210526,0.0205128205128205,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","M:F:D:C:I:L:V",13.1456002256204,0.924803768446994,139.277183326557,0.0943844491369309,0.0001628371344454,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","GLU",0,"ETB0035","SRR6257089","lineage2.2.1","ru","Russia:Leningrad Region","pnca_p.val130glu","A","E","VAL","VA130","pnca_complex.pdb"
|
||||
"V130G","L2","PZA","V","V130",130,"G",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",10.402,-1.126,-3.429,5.77612,-4.805,-3.46,73,85,0.064,5,5,0,0,"strand",1.63333333333333,11.27,0.0001437401178668,19.411022297013,511754.463552424,Inf,4.73122070382274,20,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,3,0,3,0,8,0,9,23,-0.285207700101317,-0.886046511627907,0.210378863482397,-0.81926683716965,-0.905759162303665,0.768421052631579,0.0205128205128205,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","M:F:D:C:I:L:V",13.1456002256202,0.924803768446987,139.277183326542,0.0943844491369394,0.0001628371344458,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","GLY",0,"SRR6397471","SRR6397471","lineage2.2.1","ca","Canada","pnca_p.val130gly","A","E","VAL","VA130","pnca_complex.pdb"
|
||||
"V130M","L1","PZA","V","V130",130,"M",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.402,-2.265,-1.539,-0.707302,-2.385,-1.31,34,66,0.064,5,5,0,0,"strand",1.63333333333333,11.27,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-58,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-2,0,3,-5,-4,0,2,-6,-0.57370820668693,-0.397674418604651,-0.135988233484581,-0.406649616368286,-0.342931937172775,0.357894736842105,0.0205128205128205,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","147/150","M:F:D:C:I:L:V",-8.98740878149642,0.940032862253634,119.468044435493,-0.0752285585987741,NA,4692673.5108132,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage1","other_mutations_pyrazinamide","MET",0,"ERR3256144","ERR3256144","lineage1.2.1","ph","Philippines","pnca_p.val130met","A","E","VAL","VA130","pnca_complex.pdb"
|
||||
"V131F","L2","PZA","V","V131",131,"F",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",9.063,-2.323,-1.59,1.54666,-1.786,-1.52,72,85,0.204,4,4,1,0.0057471264367816,"strand",2.66666666666667,10.36,0.0001437401178668,19.411022297013,511754.463553315,Inf,4.73122070382274,-44,-4,0,0,-4,0,0,0,0,0,0,0,0,0,0,0,0,-15,0,-7,-8,-6,0,-8,-8,-0.588399189463019,-0.410852713178295,0.0563327238689093,-0.304518329070759,-0.397905759162304,0.757894736842105,0.0653846153846154,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","147/150","D:M:S:A:G:T:C:V:L",13.1456002256219,0.924803768447041,139.277183326661,0.0943844491368713,0.000162837134443,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","PHE",0,"SAMN10961371","SRR8651611","lineage2.2.1","cn","China:Wenzhou","pnca_p.val131phe","A","E","VAL","VA131","pnca_complex.pdb"
|
||||
"V131G","L4","PZA","V","V131",131,"G",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",9.063,-1.774,-3.182,5.35345,-3.989,-2.53,54,75,0.204,4,4,1,0.0057471264367816,"strand",2.66666666666667,10.36,0.0001437401178668,19.411022297013,511754.463553338,Inf,4.73122070382274,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,3,19,-0.449341438703141,-0.822222222222222,0.194984302041827,-0.680136402387042,-0.662303664921466,0.568421052631579,0.0653846153846154,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","147/150","D:M:S:A:G:T:C:V:L",13.145600225622,0.924803768447044,139.277183326667,0.0943844491368676,0.0001628371344429,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR2510219","ERR2510219","lineage4.1.2.1","pe","Peru","pnca_p.val131gly","A","E","VAL","VA131","pnca_complex.pdb"
|
||||
"G132A","L4","PZA","G","G132",132,"A",NA,"MDR","DM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",6.912,-1.92,-0.829,5.5504,-2.927,-0.28,80,91,-1.191,9,9,0,0,"strand",2.76666666666667,8.75,0.0005749604714675,14.5802781289507,14.5802277940117,14.5801759034061,15.0663448164144,-4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6,0,-6,-2,0,0,-7,-18,-0.486322188449848,-0.21421188630491,0.20215764974978,-0.499062233589088,-0.0732984293193717,0.842105263157895,-0.981054365733114,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","147/150","G",2.6796663501904,0.0010245352377104,0.816050632122417,3.28370108999367,3.35697961122016,99.5538692591549,1.16376580853041,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,0.0001037975122989,"lineage4","dr_mutations_pyrazinamide","ALA",0,"ERR3148191","ERR3148191","lineage4.1.2.1","mx","Mexico","pnca_p.gly132ala","A","E","GLY","GA132","pnca_complex.pdb"
|
||||
"G132D","L2","PZA","G","G132",132,"D",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",6.912,-0.822,-2.518,18.6426,-3.507,-1.46,92,95,-1.191,9,9,0,0,"strand",2.76666666666667,8.75,0.0004312203536006,58.3312262958281,1393450.94022859,Inf,23.547488635408,-22,-42,0,-2,-40,0,0,0,0,0,0,0,0,0,0,0,0,-11,0,-9,-6,-4,0,-9,-23,-0.208206686930091,-0.650645994832041,0.679004071999359,-0.597953964194373,-0.382198952879581,0.968421052631579,-0.981054365733114,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","147/150","G",14.1472939191334,0.915018435775164,132.576060676564,0.106710773022948,4.17896182038204,NA,1.7659011066874,2.48532104922106e-05,4.60461750194108,5.71767556863798,Inf,1.21868387173808e-06,"lineage2","dr_mutations_pyrazinamide","ASP",0,"SAMN02414914","SRR1146372_SRR1144743_SRR1166918_SRR1162871","lineage2.2.1","se","Sweden","pnca_p.gly132asp","A","E","GLY","GA132","pnca_complex.pdb"
|
||||
"G132S","L4","PZA","G","G132",132,"S",1,"MDR","DM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",6.912,-0.312,-2.061,10.5344,-3.165,-1.17,85,91,-1.191,9,9,0,0,"strand",2.76666666666667,8.75,0.0005749604714675,77.8405735976381,1394626.35224766,Inf,33.1802749271012,-4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-8,0,-8,-4,0,0,-7,-19,-0.0790273556231003,-0.532558139534884,0.383685778596872,-0.539641943734015,-0.306282722513089,0.894736842105263,-0.981054365733114,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.229,-1.178,"9:9","147/150","G",14.1481370895088,0.901927875940771,114.814237034556,0.123226330243789,82.9586021393604,NA,1.89120602753485,7.2326389241213e-07,6.1407032156959,8.29603358299821,Inf,8.39983046099388e-09,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR2515345","ERR2515345","lineage4.1.1.3","za","South Africa","pnca_p.gly132ser","A","E","GLY","GA132","pnca_complex.pdb"
|
||||
"I133S","L2","PZA","I","I133",133,"S",NA,"XDR","OM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",3.05,0.578,-3.219,3.30196,-2.461,-3.47,70,85,-0.739,8,8,3,0.015228426395939,"strand",1.96666666666667,7.9,7.18700589334483e-05,9.70142977291842,188179.926264589,Inf,0.763784339928386,34,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,0,0,0,0,6,0,8,0,0.259192825112108,-0.831782945736434,0.120264570691803,-0.419607843137255,-0.908376963350785,0.736842105263158,-0.608731466227348,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","147/150","V:L:I:M:F",12.1451538387262,0.919026337424226,119.468044436218,0.101660271548266,5.01153666064073e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","SER",0,"SAMN07236533,SRR5709884","SRR5709884","lineage2.2.1","th","Thailand","pnca_p.ile133ser","A","E","ILE","IA133","pnca_complex.pdb"
|
||||
"I133T","L2","PZA","I","I133",133,"T",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",3.05,0.703,-2.788,1.57844,-1.862,-2.56,68,80,-0.739,8,8,3,0.015228426395939,"strand",1.96666666666667,7.9,0.0031622825930717,6.43697178374994,6.43697172567821,6.43569721125883,46.3588997045238,34,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,0,0,0,0,4,0,4,0,0.3152466367713,-0.720413436692506,0.0574902206455467,-0.317476555839727,-0.670157068062827,0.715789473684211,-0.608731466227348,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.674,"8:7","147/150","V:L:I:M:F",1.86205820059201,1.05183177238756e-09,0.305188422646507,6.10133957390906,3.55222271070208,11.8555583489231,0.808681605417837,2.90039620895666e-09,8.53754267120101,3.39739251160169,12.3875045168727,9.84592753332283e-12,"lineage2","dr_mutations_pyrazinamide","THR",0,"ERS457609","ERR551811_ERR551810_ERR551809","lineage2.2.1","uz","Nukus","pnca_p.ile133thr","A","E","ILE","IA133","pnca_complex.pdb"
|
||||
"A134D","L4","PZA","A","A134",134,"D",0,"Pre-XDR","OM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",3.047,0.582,-2.98,1.03055,-3.856,-1.13,85,91,-1.111,9,9,10,0.0775193798449612,"loop",1.86666666666667,6.77,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-24,-34,0,0,-34,0,0,0,0,-2,0,-2,0,0,0,0,0,0,0,0,-2,-4,0,-2,-3,0.260986547085202,-0.770025839793282,0.0375348742342237,-0.657459505541347,-0.295811518324607,0.894736842105263,-0.915156507413509,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.178,-1.094,"9:9","147/150","V:T:S:A",-8.98740878149643,0.940032862253634,119.468044435494,-0.0752285585987736,NA,4692673.510814,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","ASP",0,"SRR2100459,SAMN03647632","SRR2100459","lineage4.4.1.1","","","pnca_p.ala134asp","A","-","ALA","AA134","pnca_complex.pdb"
|
||||
"A134G","L4","PZA","A","A134",134,"G",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",3.047,-0.378,-1.618,-1.28536,-2.508,-1.88,79,85,-1.111,9,9,10,0.0775193798449612,"loop",1.86666666666667,6.77,NA,NA,NA,NA,NA,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,14,-0.0957446808510638,-0.418087855297158,-0.247127585941706,-0.427621483375959,-0.492146596858639,0.831578947368421,-0.915156507413509,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.178,-1.094,"9:9","147/150","V:T:S:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR3148178","ERR3148178","lineage4.3.3","mx","Mexico","pnca_p.ala134gly","A","-","ALA","AA134","pnca_complex.pdb"
|
||||
"A134P","L2","PZA","A","A134",134,"P",1,"MDR","OM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",3.047,0.077,-1.426,-5.2012,-2.503,-0.19,88,91,-1.111,9,9,10,0.0775193798449612,"loop",1.86666666666667,6.77,7.18700589334483e-05,9.70142977291842,188179.92626465,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,-1,-2,-2,0,0,-9,0.0345291479820627,-0.368475452196382,-1,-0.426768968456948,-0.0497382198952879,0.926315789473684,-0.915156507413509,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.178,-1.094,"9:9","147/150","V:T:S:A",12.1451538387265,0.919026337424237,119.468044436237,0.101660271548252,5.01153666062244e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","PRO",0,"SAMEA2535049,ERS458451","ERR552982_ERR552983","lineage2.2.1","uz","Nukus","pnca_p.ala134pro","A","-","ALA","AA134","pnca_complex.pdb"
|
||||
"A134T","L1","PZA","A","A134",134,"T",NA,"XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",3.047,0.875,-1.925,-0.943073,-1.723,-1.44,61,80,-1.111,9,9,10,0.0775193798449612,"loop",1.86666666666667,6.77,NA,NA,NA,NA,NA,-6,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-2,0,0,-4,-2,0,-2,-3,0.39237668161435,-0.497416020671835,-0.181318349611628,-0.293776641091219,-0.37696335078534,0.642105263157895,-0.915156507413509,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.178,-1.094,"9:9","147/150","V:T:S:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","THR",0,"SRR7898227","SRR7898227","lineage1.1.2","in","India","pnca_p.ala134thr","A","-","ALA","AA134","pnca_complex.pdb"
|
||||
"A134V","L4","PZA","A","A134",134,"V",0,"Other","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",3.047,0.118,-0.414,-1.46184,-1.64,-0.88,74,85,-1.111,9,9,10,0.0775193798449612,"loop",1.86666666666667,6.77,0.0003593502946672,19.4256842105263,19.4256680571767,19.4169790983636,9.87561363723508,-6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-2,-6,-2,0,-2,-3,0.052914798206278,-0.106976744186046,-0.281058217334461,-0.279624893435635,-0.230366492146597,0.778947368421053,-0.915156507413509,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.178,-1.094,"9:9","147/150","V:T:S:A",2.96659528728018,0.0079500503166053,1.11770528264822,2.65418382943607,2.87215213651462,380.097158975588,1.28837632444196,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,0.0016748373055023,"lineage4","dr_mutations_pyrazinamide","VAL",0,"ERR2513980","ERR2513980","lineage4.8","gb","UK","pnca_p.ala134val","A","-","ALA","AA134","pnca_complex.pdb"
|
||||
"T135A","L2","PZA","T","T135",135,"A",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",6.021,-1.324,-0.347,0.939971,-1.151,-0.32,72,85,-0.612,7,7,3,0.0174418604651162,"loop",-0.8,5.97,NA,NA,NA,NA,NA,4,0,0,0,0,0,0,0,0,4,0,-2,4,0,0,0,0,4,0,4,2,6,0,6,3,-0.335359675785208,-0.0896640826873385,0.0342357898877469,-0.196248934356351,-0.0837696335078534,0.757894736842105,-0.504118616144975,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.553,"8:7","147/150","G:S:M:A:T:L:R:E:Y:F:Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","ALA",0,"SAMN02584663","SRR1166176_SRR1169028","lineage2.2.1","md","Moldova","pnca_p.thr135ala","A","T","THR","TA135","pnca_complex.pdb"
|
||||
"T135I","L4","PZA","T","T135",135,"I",0,"MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",6.021,-1.039,0.442,-0.624872,-0.279,0.66,86,91,-0.612,7,7,3,0.0174418604651162,"loop",-0.8,5.97,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-10,0,0,0,0,0,0,0,0,4,0,-2,4,0,0,0,0,-3,0,-1,0,2,0,2,-4,-0.263171225937183,0.375850340136054,-0.120139967699762,-0.0475703324808184,0.370786516853933,0.905263157894737,-0.504118616144975,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-0.728,-0.553,"8:7","147/150","G:S:M:A:T:L:R:E:Y:F:Q",-8.9874087814964,0.940032862253633,119.46804443549,-0.0752285585987755,NA,4692673.5108109,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","ILE",0,"ERR2516192","ERR2516192","lineage4.2.2","be","Belgium","pnca_p.thr135ile","A","T","THR","TA135","pnca_complex.pdb"
|
||||
"T135P","L4","PZA","T","T135",135,"P",1,"MDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",6.021,-1.103,-0.141,4.22994,-2.513,0.5,93,95,-0.612,7,7,3,0.0174418604651162,"loop",-0.8,5.97,0.0019404915912031,127.447513812155,127.447463030391,127.547977311481,114.177692609973,4,0,0,0,0,0,0,0,0,6,2,-2,4,0,0,0,0,0,2,0,0,4,0,4,-2,-0.279381965552178,-0.0364341085271317,0.154063622258321,-0.42847399829497,0.280898876404494,0.978947368421053,-0.504118616144975,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.728,-0.553,"8:7","147/150","G:S:M:A:T:L:R:E:Y:F:Q",4.84770422501703,1.95563371409724e-06,1.01886282652061,4.75795573146171,27.0895053611136,2275.86435679243,2.10533136786968,2.29679039420522e-19,18.638878636844,20.9103539725502,5063.91643152716,1.19139212303841e-26,"lineage4","dr_mutations_pyrazinamide","PRO",0,"SAMN03648845,SRR2101598","SRR2101598","lineage4.1.2.1","","","pnca_p.thr135pro","A","T","THR","TA135","pnca_complex.pdb"
|
||||
"T135S","L4","PZA","T","T135",135,"S",0,"MDR","OM","hydrophobic","hydrophilic","neutral","neutral","polar","polar",6.021,-0.709,-1.605,0.77889,-1.567,-0.71,65,80,-0.612,7,7,3,0.0174418604651162,"loop",-0.8,5.97,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,1,2,2,0,2,2,-0.179584599797366,-0.414728682170543,0.0283688692371011,-0.267178175618073,-0.18586387434555,0.684210526315789,-0.504118616144975,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.553,"8:7","147/150","G:S:M:A:T:L:R:E:Y:F:Q",-8.98740878149641,0.940032862253632,119.46804443549,-0.075228558598776,NA,4692673.51081184,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","SER",0,"0600D-sc-2011-10-12T14:59:43Z-1289186,ERR117452","ERR117452","lineage4.3.3","ru","Russia,Samara","pnca_p.thr135ser","A","T","THR","TA135","pnca_complex.pdb"
|
||||
"D136A","L2","PZA","D","D136",136,"A",1,"MDR","OM","hydrophilic","hydrophobic","acidic","non-polar","neg","non-polar",6.179,-2.506,0.66,1.50112,-0.993,1.78,73,85,-1.076,9,9,6,0.0310880829015544,"loop",-2.46666666666667,5.37,7.18700589334483e-05,9.70142977291842,188179.926264403,Inf,0.763784339928386,4,29,0,0,29,0,0,0,0,8,0,2,2,0,0,0,0,4,0,0,4,6,0,10,-3,-0.634751773049645,0.561224489795918,0.0546740579403988,-0.169309462915601,1,0.768421052631579,-0.886326194398682,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.152,-1.028,"9:9","147/150","S:E:D",12.1451538387252,0.919026337424193,119.468044436159,0.101660271548308,5.01153666069587e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","ALA",0,"ERR551545","ERR551545","lineage2.2.1","sz","Swaziland","pnca_p.asp136ala","A","T","ASP","DA136","pnca_complex.pdb"
|
||||
"D136G","L2","PZA","D","D136",136,"G",0,"MDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",6.179,-2.578,0.314,2.04991,-1.455,0.52,79,85,-1.076,9,9,6,0.0310880829015544,"loop",-2.46666666666667,5.37,0.0008624407072013,3.46852810205801,3.46852813512699,3.46809703626328,3.5269411605584,6,29,0,0,29,0,0,0,0,8,0,2,2,0,0,0,0,5,0,5,2,8,0,13,15,-0.652988855116515,0.267006802721088,0.0746621843107832,-0.248081841432225,0.292134831460674,0.831578947368421,-0.886326194398682,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.152,-1.028,"9:9","147/150","S:E:D",1.24373033542254,0.0337889223820885,0.585951699076682,2.12258166907334,1.02578380758221,10.8758695145359,0.540145217509122,0.0400825565026472,1.39704458655237,0.867177455332643,12.7072994899286,0.0603790832350862,"lineage2","dr_mutations_pyrazinamide","GLY",0,"ERR2516443","ERR2516443","lineage2.2.1","pe","Peru","pnca_p.asp136gly","A","T","ASP","DA136","pnca_complex.pdb"
|
||||
"D136N","L2","PZA","D","D136",136,"N",NA,"Pre-MDR","DM","hydrophilic","hydrophilic","acidic","neutral","neg","polar",6.179,-1.58,0.216,0.961088,-1.377,0.48,79,85,-1.076,9,9,6,0.0310880829015544,"loop",-2.46666666666667,5.37,0.0005030904125341,3.63983585858586,3.63983585304829,3.63936365398778,1.71237896478786,0,29,0,0,29,0,0,0,0,4,0,0,2,0,0,0,0,-5,0,3,-9,4,0,2,-4,-0.400202634245187,0.183673469387755,0.0350049169938592,-0.234782608695652,0.269662921348315,0.831578947368421,-0.886326194398682,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-1.152,-1.028,"9:9","147/150","S:E:D",1.29193858531542,0.0908665432562708,0.764078977125449,1.69084430273928,0.716519099632433,16.5222710930887,0.561081799221107,0.101883776579733,0.99189496518722,0.532738756693438,21.52594647947,0.190677002690395,"lineage2","dr_mutations_pyrazinamide","ASN",0,"SRR5073892","SRR5073892","lineage2.2.1.1","vn","Vietnam","pnca_p.asp136asn","A","T","ASP","DA136","pnca_complex.pdb"
|
||||
"D136Y","L4","PZA","D","D136",136,"Y",NA,"MDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","polar",6.179,-1.662,-0.96,6.12929,-1.07,-0.23,86,91,-1.076,9,9,6,0.0310880829015544,"loop",-2.46666666666667,5.37,0.0002156101768003,29.1287878787879,511969.848429002,Inf,9.2872640727157,-32,25,0,0,25,0,0,0,0,6,0,2,4,0,0,0,0,-6,0,-4,-4,-2,0,2,-2,-0.4209726443769,-0.248062015503876,0.223242083639887,-0.182438192668372,-0.0602094240837696,0.905263157894737,-0.886326194398682,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.152,-1.028,"9:9","147/150","S:E:D",13.1460210125005,0.907969111549614,113.719344731947,0.115600569485232,0.183926936277317,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage4","dr_mutations_pyrazinamide","TYR",0,"ERR2510215","ERR2510215","lineage4.3.4.1","pe","Peru","pnca_p.asp136tyr","A","T","ASP","DA136","pnca_complex.pdb"
|
||||
"H137N","L3","PZA","H","H137",137,"N",0,"MDR","OM","hydrophobic","hydrophilic","basic","neutral","pos","polar",3.419,-0.124,0.189,0.40144,-0.475,0.6,65,80,-0.415,7,7,84,0.375,"loop",-1.4,4.6,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,14,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,1,-1,4,0,2,2,-0.0314083080040526,0.160714285714286,0.0146213186284865,-0.0809889173060528,0.337078651685393,0.684210526315789,-0.341845140032949,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.615,-0.332,"7:6","147/150","Q:H:F:E:Y:I:V:W",-8.98740878149642,0.940032862253634,119.468044435493,-0.075228558598774,NA,4692673.51081254,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage3","other_mutations_pyrazinamide","ASN",0,"ERR2516643","ERR2516643","lineage3","nl","Netherlands","pnca_p.his137asn","A","T","HIS","HA137","pnca_complex.pdb"
|
||||
"H137P","L4","PZA","H","H137",137,"P",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","basic","non-polar","pos","non-polar",3.419,-0.765,0.366,2.19045,-0.882,1.03,86,91,-0.415,7,7,84,0.375,"loop",-1.4,4.6,NA,NA,NA,NA,NA,34,3,0,0,3,0,0,0,0,2,0,2,0,0,0,0,0,0,4,-2,-4,2,0,-4,0,-0.193768996960486,0.311224489795918,0.0797809570291159,-0.150383631713555,0.578651685393258,0.905263157894737,-0.341845140032949,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.615,-0.332,"7:6","147/150","Q:H:F:E:Y:I:V:W",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR2707085","ERR2707085","lineage4.1.2","cd","Democratic Republic of Congo","pnca_p.his137pro","A","T","HIS","HA137","pnca_complex.pdb"
|
||||
"H137R","L2","PZA","H","H137",137,"R",1,"MDR","DM","hydrophobic","hydrophilic","basic","basic","pos","pos",3.419,0.466,-0.272,0.488665,-0.317,0.21,76,85,-0.415,7,7,84,0.375,"loop",-1.4,4.6,0.0002874802357337,4.85191417753471,4.85191414039981,4.85118443551178,1.17497090855698,-52,-2,0,0,-2,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,-1,-2,0,-2,-4,0.208968609865471,-0.0702842377260982,0.0177982429941943,-0.0540494458653026,0.117977528089888,0.8,-0.341845140032949,"Stabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.615,-0.332,"7:6","147/150","Q:H:F:E:Y:I:V:W",1.57937329521209,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091312819,40.4562911075324,0.685913110299906,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,0.278382201819561,"lineage2","dr_mutations_pyrazinamide","ARG",0,"MDR_10142","SRR6824295","lineage2.2.1","cn","China: Huqiu Hi-tech District, Suzhou City, Jiangsu Province","pnca_p.his137arg","A","T","HIS","HA137","pnca_complex.pdb"
|
||||
"H137Y","L1","PZA","H","H137",137,"Y",NA,"Sensitive","OM","hydrophobic","hydrophobic","basic","neutral","pos","polar",3.419,-0.005,0.859,0.344473,-0.394,1.72,-7,53,-0.415,7,7,84,0.375,"loop",-1.4,4.6,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-42,3,0,0,3,0,0,0,0,2,0,2,0,0,0,0,0,-1,0,1,-4,-2,0,-2,0,-0.0012664640324214,0.730442176870748,0.0125464564864255,-0.0671781756180733,0.966292134831461,-0.0752688172043011,-0.341845140032949,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","neutral",-0.615,-0.332,"7:6","147/150","Q:H:F:E:Y:I:V:W",-8.98740878149642,0.940032862253633,119.468044435491,-0.0752285585987755,NA,4692673.51081285,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage1","other_mutations_pyrazinamide","TYR",0,"ERR767966","ERR767966","lineage1.1.1","th","Thailand","pnca_p.his137tyr","A","T","HIS","HA137","pnca_complex.pdb"
|
||||
"C138G","L4","PZA","C","C138",138,"G",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","neutral","non-polar","non-polar",3.282,-0.012,-0.015,1.12063,-2.578,1.06,90,95,-1.148,9,9,12,0.0718562874251497,"helix",1.16666666666667,6.7,NA,NA,NA,NA,NA,16,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,3,0,3,0,6,0,9,19,-0.0030395136778115,-0.003875968992248,0.0408157839145099,-0.439556692242114,0.595505617977528,0.947368421052632,-0.945634266886326,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-1.221,-1.124,"9:9","147/150","C:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR1034711","ERR1034711","lineage4.1.2.1","pe","Peru","pnca_p.cys138gly","A","H","CYS","CA138","pnca_complex.pdb"
|
||||
"C138R","L2","PZA","C","C138",138,"R",1,"MDR","DM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",3.282,0.35,0.099,-2.11829,-2.383,0.53,91,95,-1.148,9,9,12,0.0718562874251497,"helix",1.16666666666667,6.7,0.0008624407072013,116.958174904943,3797407.11818115,Inf,52.5277145499225,-86,-32,0,0,-32,0,0,0,0,-2,0,-2,-2,0,0,0,0,-5,0,-1,-6,-14,0,-6,-12,0.15695067264574,0.0841836734693877,-0.407269476274706,-0.406308610400682,0.297752808988764,0.957894736842105,-0.945634266886326,"Stabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",-1.221,-1.124,"9:9","147/150","C:S",15.1498290544778,0.921917088417709,154.559892765108,0.0980191483278375,60.4370486597206,NA,2.06803058263964,6.09960824712391e-10,9.21469805705084,13.5248372165465,Inf,4.24219331644313e-13,"lineage2","dr_mutations_pyrazinamide","ARG",0,"ERR2041744","ERR2041744","lineage2.2.1","rs","Serbia","pnca_p.cys138arg","A","H","CYS","CA138","pnca_complex.pdb"
|
||||
"C138S","L2","PZA","C","C138",138,"S",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",3.282,0.814,-0.002,-0.229289,-1.639,1.02,87,91,-1.148,9,9,12,0.0718562874251497,"helix",1.16666666666667,6.7,NA,NA,NA,NA,NA,4,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,3,0,3,0,2,0,0,2,0.365022421524664,-0.000516795865633,-0.0440838652618626,-0.279454390451833,0.573033707865168,0.91578947368421,-0.945634266886326,"Stabilising","Destabilising","Stabilising","Destabilising","Stabilising","effect",-1.221,-1.124,"9:9","147/150","C:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","dr_mutations_pyrazinamide","SER",0,"SRR7517719","SRR7517719","lineage2.2.1","ch","Switzerland","pnca_p.cys138ser","A","H","CYS","CA138","pnca_complex.pdb"
|
||||
"C138W","L2","PZA","C","C138",138,"W",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",3.282,0.943,-1.048,-1.71951,-1.165,-0.99,91,95,-1.148,9,9,12,0.0718562874251497,"helix",1.16666666666667,6.7,NA,NA,NA,NA,NA,-72,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-2,0,0,-3,-12,0,-2,-16,0.422869955156951,-0.270801033591731,-0.330598707990464,-0.198635976129582,-0.259162303664921,0.957894736842105,-0.945634266886326,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","147/150","C:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","TRP",0,"SRS797297","SRR1723826_SRR1723827","lineage2.2.1","cn","China:Fujian","pnca_p.cys138trp","A","H","CYS","CA138","pnca_complex.pdb"
|
||||
"C138Y","L7","PZA","C","C138",138,"Y",NA,"Other","DM","hydrophobic","hydrophobic","neutral","neutral","non-polar","polar",3.282,0.914,-0.518,-0.565013,-1.271,-0.44,90,95,-1.148,9,9,12,0.0718562874251497,"helix",1.16666666666667,6.7,NA,NA,NA,NA,NA,-72,-40,0,0,-40,0,0,0,0,0,0,-2,0,0,0,0,0,1,0,0,1,-12,0,-2,-14,0.409865470852018,-0.133850129198966,-0.108631277397524,-0.216709292412617,-0.115183246073298,0.947368421052632,-0.945634266886326,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.124,"9:9","147/150","C:S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage7","dr_mutations_pyrazinamide","TYR",0,"ERR233349","ERR233349","lineage7","","","pnca_p.cys138tyr","A","H","CYS","CA138","pnca_complex.pdb"
|
||||
"V139A","L4","PZA","V","V139",139,"A",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.113,-0.537,-1.598,2.24246,-2.438,-1.84,52,75,-1.171,9,9,0,0,"helix",0.733333333333333,9.18,0.0018686215322696,4.8698224852071,4.86982245520442,4.86909461472896,17.6365403604529,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,2,0,4,7,-0.136018237082067,-0.412919896640827,0.0816752744411017,-0.415686274509804,-0.481675392670157,0.547368421052632,-0.964579901153213,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","I:V:A",1.58305747959306,5.59300498642966e-05,0.392881092301541,4.02935521869819,2.23340951898872,10.6183850984524,0.687513130598596,0.0001170700255588,3.93155428682984,2.07661167855124,11.4195822840533,2.67400952353788e-05,"lineage4","dr_mutations_pyrazinamide","ALA",0,"ERR751572","ERR751572","lineage4.3.4.2","pe","","pnca_p.val139ala","A","H","VAL","VA139","pnca_complex.pdb"
|
||||
"V139G","L4","PZA","V","V139",139,"G",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",5.113,-0.4,-2.377,4.03008,-4.222,-2.37,84,91,-1.171,9,9,0,0,"helix",0.733333333333333,9.18,0.000646830530401,38.9169126950654,38.9169126367817,38.9145296299157,27.8738145664613,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,6,0,17,25,-0.101317122593718,-0.61421188630491,0.146784286016069,-0.719863597612958,-0.620418848167539,0.884210526315789,-0.964579901153213,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","I:V:A",3.66142892829214,0.0005578275078108,1.06087424525349,3.45133171502081,7.13685172053903,722.165073758294,1.59013838008863,5.5228318480997e-06,5.25783817940065,5.21074959149254,1710.75565736304,1.29490403629991e-07,"lineage4","dr_mutations_pyrazinamide","GLY",0,"SAMN01828249","SRR833062_SRR833186_SRR833060_SRR833123_SRR832980","lineage4.3.3","za","South Africa","pnca_p.val139gly","A","H","VAL","VA139","pnca_complex.pdb"
|
||||
"V139L","L2","PZA","V","V139",139,"L",NA,"Pre-MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.113,-0.504,-0.462,-1.24107,-0.518,-0.59,79,85,-1.171,9,9,0,0,"helix",0.733333333333333,9.18,0.0007905706482679,21.8981012658228,21.8980984766686,21.8894347089025,28.1227645329198,-28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,-1,-3,-2,0,0,0,-0.127659574468085,-0.11937984496124,-0.238612243328463,-0.0883205456095482,-0.154450261780105,0.831578947368421,-0.964579901153213,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","I:V:A",3.08639980550335,7.90481988040462e-05,0.781907928411257,3.9472675661117,5.63934469685405,143.700732785851,1.34040645979333,4.86279858821822e-06,5.31311371806022,4.52710002121826,207.736204499878,1.13858693465794e-07,"lineage2","dr_mutations_pyrazinamide","LEU",0,"SRS797221","SRR1723744","lineage2.2.1","cn","China:Jiangsu","pnca_p.val139leu","A","H","VAL","VA139","pnca_complex.pdb"
|
||||
"V139M","L4","PZA","V","V139",139,"M",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",5.113,-1.067,-0.944,-0.87501,-1.235,-1,69,80,-1.171,9,9,0,0,"helix",0.733333333333333,9.18,0.000646830530401,38.9169126950654,38.9169126367816,38.9145296299157,27.8738145664613,-44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6,0,-1,-5,-2,0,0,0,-0.270263424518744,-0.243927648578811,-0.168232331000538,-0.210571184995737,-0.261780104712042,0.726315789473684,-0.964579901153213,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.221,-1.152,"9:9","147/150","I:V:A",3.66142892829214,0.0005578275078108,1.06087424525349,3.4513317150208,7.13685172054607,722.165073756559,1.59013838008863,5.5228318480997e-06,5.25783817940065,5.21074959149254,1710.75565736304,1.29490403629991e-07,"lineage4","dr_mutations_pyrazinamide","MET",0,"ERR1034990","ERR1034990","lineage4.1.1.3","za","South Africa","pnca_p.val139met","A","H","VAL","VA139","pnca_complex.pdb"
|
||||
"R140G","L3","PZA","R","R140",140,"G",NA,"Pre-XDR","DM","hydrophilic","hydrophobic","basic","neutral","pos","non-polar",7.347,-1.735,-1.398,5.02413,-1.666,-1.21,71,85,-0.185,6,6,58,0.211678832116788,"helix",-1.26666666666667,5.39,NA,NA,NA,NA,NA,70,36,0,0,36,0,0,0,0,4,0,2,4,0,0,0,0,1,0,0,1,6,0,15,17,-0.439463019250253,-0.361240310077519,0.182989750799467,-0.284057971014493,-0.316753926701571,0.747368421052632,-0.152388797364086,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","147/150","G:A:T:N:L:V:K:R:E:Y:H:F:Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage3","dr_mutations_pyrazinamide","GLY",0,"ERR3335728","ERR3335728","lineage3","pk","Pakistan","pnca_p.arg140gly","A","H","ARG","RA140","pnca_complex.pdb"
|
||||
"R140H","L4","PZA","R","R140",140,"H",NA,"MDR","DM","hydrophilic","hydrophobic","basic","basic","pos","pos",7.347,-1.013,-1.041,2.29767,-1.276,-1.42,53,75,-0.185,6,6,58,0.211678832116788,"helix",-1.26666666666667,5.39,NA,NA,NA,NA,NA,38,6,0,0,6,0,0,0,0,2,0,0,2,0,0,0,0,-4,0,-4,-4,-2,0,-2,4,-0.256585612968592,-0.268992248062015,0.0836861428186394,-0.217561807331628,-0.371727748691099,0.557894736842105,-0.152388797364086,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","147/150","G:A:T:N:L:V:K:R:E:Y:H:F:Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","HIS",0,"2591","ERR2432995","lineage4.3.3","br","Brazil","pnca_p.arg140his","A","H","ARG","RA140","pnca_complex.pdb"
|
||||
"R140P","L4","PZA","R","R140",140,"P",NA,"MDR","DM","hydrophilic","hydrophilic","basic","non-polar","pos","non-polar",7.347,-1.466,-0.818,6.54201,-1.939,-0.18,86,91,-0.185,6,6,58,0.211678832116788,"helix",-1.26666666666667,5.39,0.0002156101768003,29.1287878787879,511969.848429156,Inf,9.2872640727157,66,36,0,0,36,0,0,0,0,6,2,2,4,0,0,0,0,-3,2,-8,-1,6,0,6,-2,-0.371327254305978,-0.211369509043928,0.238274244421944,-0.330605285592498,-0.0471204188481675,0.905263157894737,-0.152388797364086,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","147/150","G:A:T:N:L:V:K:R:E:Y:H:F:Q",13.1460210125008,0.90796911154963,113.719344731969,0.115600569485212,0.183926936276834,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage4","dr_mutations_pyrazinamide","PRO",0,"SAMN01925686","SRR924238_SRR847784","lineage4.3.3","za","South Africa","pnca_p.arg140pro","A","H","ARG","RA140","pnca_complex.pdb"
|
||||
"R140S","L4","PZA","R","R140",140,"S",NA,"MDR","DM","hydrophilic","hydrophilic","basic","neutral","pos","polar",7.347,-1.646,-1.705,4.37186,-0.933,-1.49,53,75,-0.185,6,6,58,0.211678832116788,"helix",-1.26666666666667,5.39,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,64,36,0,0,36,0,0,0,0,2,0,0,4,0,0,0,0,1,0,-3,2,6,0,6,6,-0.416919959473151,-0.440568475452196,0.159232657580548,-0.159079283887468,-0.390052356020942,0.557894736842105,-0.152388797364086,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","147/150","G:A:T:N:L:V:K:R:E:Y:H:F:Q",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987745,NA,4692673.51081424,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","dr_mutations_pyrazinamide","SER",0,"ERR2707078","ERR2707078","lineage4.3.4.2","cd","Democratic Republic of Congo","pnca_p.arg140ser","A","H","ARG","RA140","pnca_complex.pdb"
|
||||
"Q141P","L2","PZA","Q","Q141",141,"P",1,"MDR","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",8.108,-1.656,0.901,5.02461,-1.835,1.14,79,85,-0.137,6,6,41,0.182222222222222,"helix",-2.9,5.08,0.0019404915912031,28.1422962648557,28.1422937171073,28.1176868093208,83.7298318312042,30,-31,0,0,-31,0,0,0,0,4,2,0,4,0,0,0,0,3,4,-1,-2,-8,0,-10,-6,-0.419452887537994,0.766156462585034,0.1830072334443,-0.312872975277067,0.640449438202247,0.831578947368421,-0.112850082372323,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.332,-0.038,"6:5","147/150","N:C:R:F:H:E:Y:Q:W:D:A:S",3.33727355927796,7.45865029764653e-10,0.542113710503027,6.15603976549737,10.8149160259451,96.0464157669383,1.44935953071313,1.80101596312758e-14,13.744482437837,9.60105095933572,112.1508500808,5.67227891121513e-20,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERR2517000","ERR2517000","lineage2.2.1","gb","UK","pnca_p.gln141pro","A","H","GLN","QA141","pnca_complex.pdb"
|
||||
"Q141R","L4","PZA","Q","Q141",141,"R",0,"Sensitive","OM","hydrophilic","hydrophilic","neutral","basic","polar","pos",8.108,-1.581,0.765,1.88305,-0.131,0.13,36,66,-0.137,6,6,41,0.182222222222222,"helix",-2.9,5.08,0.0001437401178668,1.2119588062211,4.59700131334267e-05,0,1.01056822389159e-25,-58,-30,0,0,-30,0,0,0,0,4,0,0,4,0,0,0,0,-3,0,1,-5,0,0,0,0,-0.400455927051672,0.650510204081633,0.068584779900786,-0.0223358908780904,0.0730337078651685,0.378947368421053,-0.112850082372323,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",-0.332,-0.038,"6:5","147/150","N:C:R:F:H:E:Y:Q:W:D:A:S",-9.98752126245058,0.942832958100734,139.277183325398,-0.0717096729269461,NA,144471.706314847,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage4","other_mutations_pyrazinamide","ARG",0,"ERR2510802","ERR2510802","lineage4.1.2.1","it","Italy","pnca_p.gln141arg","A","H","GLN","QA141","pnca_complex.pdb"
|
||||
"T142A","L4","PZA","T","T142",142,"A",1,"MDR","DM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",8.098,-1.983,-0.572,2.85915,-2.289,-0.73,80,91,-0.892,8,8,0,0,"helix",-0.8,8.33,0.0005749604714675,14.5802781289507,14.5802277940117,14.5801759034061,15.0663448164144,4,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,4,0,4,0,6,0,2,9,-0.502279635258359,-0.147803617571059,0.104136466611791,-0.390281329923274,-0.19109947643979,0.842105263157895,-0.734761120263591,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","S:E:T",2.6796663501904,0.0010245352377103,0.816050632122411,3.28370108999369,3.35697961122189,99.5538692592404,1.16376580853041,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,0.0001037975122989,"lineage4","dr_mutations_pyrazinamide","ALA",0,"364","ERR3014580","lineage4.8","tn","Tunisia:Sousse","pnca_p.thr142ala","A","H","THR","TA142","pnca_complex.pdb"
|
||||
"T142K","L6","PZA","T","T142",142,"K",1,"MDR","DM","hydrophobic","hydrophobic","neutral","basic","polar","pos",8.098,-1.238,-0.83,3.49705,-5.128,-0.82,91,95,-0.892,8,8,0,0,"helix",-0.8,8.33,0.0002156101768003,29.1287878787879,511969.848429232,Inf,9.2872640727157,-82,-48,0,-2,-46,0,0,0,0,2,0,2,0,0,0,0,0,1,0,3,-2,-6,0,-4,-6,-0.313576494427558,-0.214470284237726,0.127370173151028,-0.874339300937766,-0.214659685863874,0.957894736842105,-0.734761120263591,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","S:E:T",13.1460210125009,0.907969111549634,113.719344731975,0.115600569485207,0.183926936276726,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage6","dr_mutations_pyrazinamide","LYS",0,"ERR2516338","ERR2516338","lineage6","be","Belgium","pnca_p.thr142lys","A","H","THR","TA142","pnca_complex.pdb"
|
||||
"T142M","L2","PZA","T","T142",142,"M",1,"MDR","DM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",8.098,-1.836,0.175,-0.886939,-1.977,-0.23,85,91,-0.892,8,8,0,0,"helix",-0.8,8.33,0.0002156101768003,9.70466975178797,9.70465898653051,9.70194990589383,2.29168245016684,-56,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-3,0,1,-4,0,0,0,0,-0.465045592705167,0.148809523809524,-0.170525840190725,-0.337084398976982,-0.0602094240837696,0.894736842105263,-0.734761120263591,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","S:E:T",2.27260607808817,0.0634455902260899,1.22442760158496,1.8560559033024,0.929172866365547,208.881603004778,0.986980761010679,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,0.130068862702538,"lineage2","dr_mutations_pyrazinamide","MET",0,"MDR_2167","SRR6824708","lineage2.2.1","cn","China: Heping District, Tianjin","pnca_p.thr142met","A","H","THR","TA142","pnca_complex.pdb"
|
||||
"T142P","L2","PZA","T","T142",142,"P",NA,"XDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",8.098,-1.638,-0.706,6.72536,-4.677,-0.54,92,95,-0.892,8,8,0,0,"helix",-0.8,8.33,0.0001437401178668,19.411022297013,511754.463554492,Inf,4.73122070382274,4,-25,0,0,-25,0,0,0,0,4,2,2,0,0,0,0,0,4,4,0,-2,6,0,-2,4,-0.414893617021277,-0.182428940568475,0.2449522505263,-0.797442455242967,-0.141361256544503,0.968421052631579,-0.734761120263591,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","S:E:T",13.1456002256242,0.924803768447115,139.277183326822,0.0943844491367787,0.0001628371344392,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","PRO",0,"SAMN02584649","SRR1169151_SRR1166145","lineage2.2.1","md","Moldova","pnca_p.thr142pro","A","H","THR","TA142","pnca_complex.pdb"
|
||||
"T142R","L4","PZA","T","T142",142,"R",NA,"MDR","OM","hydrophobic","hydrophilic","neutral","basic","polar","pos",8.098,-1.267,-0.733,5.15889,-4.739,-0.89,91,95,-0.892,8,8,0,0,"helix",-0.8,8.33,NA,NA,NA,NA,NA,-106,-34,0,0,-34,0,0,0,0,-2,0,4,-4,0,0,0,0,-9,0,0,-9,-10,0,-14,-4,-0.320921985815603,-0.189405684754522,0.187898003336271,-0.808013640238704,-0.232984293193717,0.957894736842105,-0.734761120263591,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","S:E:T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ARG",0,"ERR1199137","ERR1199137","lineage4.6.1.2","ug","Uganda","pnca_p.thr142arg","A","H","THR","TA142","pnca_complex.pdb"
|
||||
"A143D","L3","PZA","A","A143",143,"D",0,"MDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",10.807,0.346,-3.46,5.46827,-5.865,-1.17,84,91,-0.834,8,8,0,0,"helix",-0.8,8.82,0.0001437401178668,4.85029436501262,4.85029432717734,4.84956447904112,0.0881192621863332,-14,-46,0,-2,-44,0,0,0,0,0,0,0,0,0,0,0,0,-9,0,-1,-8,-6,0,-4,-3,0.155156950672646,-0.89405684754522,0.199166296374537,-1,-0.306282722513089,0.884210526315789,-0.686985172981878,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.955,-0.779,"9:8","147/150","I:C:V:S:A:T",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673654,122.683760399096,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage3","dr_mutations_pyrazinamide","ASP",0,"ERR2517002","ERR2517002","lineage3.1.2.1","gb","UK","pnca_p.ala143asp","A","H","ALA","AA143","pnca_complex.pdb"
|
||||
"A143G","L4","PZA","A","A143",143,"G",1,"XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",10.807,-0.868,-2.08,2.31533,-3.708,-2.04,72,85,-0.834,8,8,0,0,"helix",-0.8,8.82,0.0003593502946672,48.5888795282224,1392863.97690657,Inf,18.7541888696359,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,5,18,-0.219858156028369,-0.537467700258398,0.084329358459779,-0.632225063938619,-0.534031413612565,0.757894736842105,-0.686985172981878,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.955,-0.779,"9:8","147/150","I:C:V:S:A:T",14.1468726004037,0.922400595820385,145.229797685252,0.0974102617085742,0.390278156381537,NA,1.68653688423854,0.0001456121755417,3.83680230943558,4.44801917882778,Inf,1.4869638142509e-05,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR2510826","ERR2510826","lineage4.1.2.1","it","Italy","pnca_p.ala143gly","A","H","ALA","AA143","pnca_complex.pdb"
|
||||
"A143P","L1","PZA","A","A143",143,"P",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",10.807,-0.732,-1.416,2.35082,-3.997,-0.21,85,91,-0.834,8,8,0,0,"helix",-0.8,8.82,NA,NA,NA,NA,NA,0,0,0,0,0,0,0,0,0,2,2,-2,0,0,0,0,0,3,4,1,-2,-2,0,-2,-5,-0.185410334346505,-0.365891472868217,0.0856219815121031,-0.681500426257459,-0.0549738219895288,0.894736842105263,-0.686985172981878,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.955,-0.779,"9:8","147/150","I:C:V:S:A:T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","dr_mutations_pyrazinamide","PRO",0,"SAMN07236269,SRR5709755","SRR5709755","lineage1.1.1","th","Thailand","pnca_p.ala143pro","A","H","ALA","AA143","pnca_complex.pdb"
|
||||
"A143T","L2","PZA","A","A143",143,"T",1,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",10.807,0.07,-2.359,0.406768,-2.811,-1.46,47,71,-0.834,8,8,0,0,"helix",-0.8,8.82,0.0001437401178668,4.85029436501262,4.85029432717732,4.84956447904112,0.0881192621863332,-8,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-10,0,-4,-8,-6,0,-6,-5,0.0313901345291479,-0.609560723514212,0.0148153759861304,-0.479283887468031,-0.382198952879581,0.494736842105263,-0.686985172981878,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.955,-0.779,"9:8","147/150","I:C:V:S:A:T",1.57903938912401,0.264247566376724,1.41439286276584,1.11640791656443,0.191756076673653,122.683760399095,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage2","dr_mutations_pyrazinamide","THR",0,"0802Y-sc-2012-02-09T18:57:12Z-1355278,ERR133945","ERR133945","lineage2.2.1","ru","Russia","pnca_p.ala143thr","A","H","ALA","AA143","pnca_complex.pdb"
|
||||
"A143V","L2","PZA","A","A143",143,"V",0,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.807,-1.168,-0.622,0.113853,-1.998,-0.56,-16,57,-0.834,8,8,0,0,"helix",-0.8,8.82,0.0003593502946672,0.484657419083649,1.69068633684891e-05,0,0.177777263899814,-8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-12,0,-6,-6,-2,0,-2,-7,-0.295845997973658,-0.160723514211886,0.00414677408780658,-0.340664961636829,-0.146596858638743,-0.172043010752688,-0.686985172981878,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.955,-0.779,"9:8","147/150","I:C:V:S:A:T",-10.9877909019996,0.939691219428539,145.229797681912,-0.0756579646696575,NA,60.3389082676124,-0.314565134742567,0.596111875058711,0.224672226566594,0,5.29224350433385,0.673290424524484,"lineage2","other_mutations_pyrazinamide","VAL",0,"SRR2100911,SAMN03648084","SRR2100911","lineage2.2.1","","","pnca_p.ala143val","A","H","ALA","AA143","pnca_complex.pdb"
|
||||
"D145E","L2","PZA","D","D145",145,"E",NA,"MDR","DM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",11.649,-1.031,-0.148,-0.4769,-0.323,-0.78,70,85,-1.092,9,9,33,0.170984455958549,"helix",-1.73333333333333,4.71,7.18700589334483e-05,9.70142977291842,188179.926264557,Inf,0.763784339928386,-10,4,0,0,4,0,0,0,0,2,0,-2,4,0,0,0,0,-3,0,-2,-1,0,0,2,-2,-0.261144883485309,-0.0382428940568475,-0.0916903791432746,-0.0550724637681159,-0.204188481675393,0.736842105263158,-0.899505766062603,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.152,-1.062,"9:9","147/150","S:E:A:D:K",12.145153838726,0.919026337424219,119.468044436206,0.101660271548274,5.01153666065157e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","dr_mutations_pyrazinamide","GLU",0,"SAMN02360576","SRR1013594_SRR1048979_SRR1013593_SRR1048978","lineage2.2.2","kr","South Korea","pnca_p.asp145glu","A","H","ASP","DA145","pnca_complex.pdb"
|
||||
"D145Y","L4","PZA","D","D145",145,"Y",1,"Pre-MDR","OM","hydrophilic","hydrophobic","acidic","neutral","neg","polar",11.649,-1.689,-0.409,-0.814413,-0.858,-1.05,82,91,-1.092,9,9,33,0.170984455958549,"helix",-1.73333333333333,4.71,7.18700589334483e-05,9.70142977291842,188179.926264644,Inf,0.763784339928386,-38,28,0,0,28,0,0,0,0,0,0,-4,6,0,0,0,0,-1,0,0,-2,-2,0,-2,-2,-0.427811550151976,-0.105684754521964,-0.1565817503653,-0.146291560102302,-0.274869109947644,0.863157894736842,-0.899505766062603,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.152,-1.062,"9:9","147/150","S:E:A:D:K",12.1451538387265,0.919026337424236,119.468044436235,0.101660271548254,5.01153666062444e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","TYR",0,"ERR2515552","ERR2515552","lineage4.1.1.3","za","South Africa","pnca_p.asp145tyr","A","H","ASP","DA145","pnca_complex.pdb"
|
||||
"A146E","L2","PZA","A","A146",146,"E",NA,"XDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",14.858,0.284,-2.184,3.30206,-5.327,-0.93,75,85,-0.895,8,8,0,0,"helix",0.833333333333333,7.08,0.0001437401178668,19.411022297013,511754.463553649,Inf,4.73122070382274,-36,-46,0,-2,-44,0,0,0,0,0,0,-2,0,0,0,0,0,-6,0,-2,-7,-10,0,-8,-9,0.127354260089686,-0.564341085271318,0.120268212909476,-0.908269394714407,-0.243455497382199,0.789473684210526,-0.737232289950577,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","G:S:A",13.1456002256226,0.924803768447062,139.277183326707,0.0943844491368447,0.0001628371344419,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","GLU",0,"SAMN02628508","SRR1174308_SRR1173552","lineage2.2.1","ir","Iran","pnca_p.ala146glu","A","H","ALA","AA146","pnca_complex.pdb"
|
||||
"A146P","L4","PZA","A","A146",146,"P",NA,"Pre-MDR","OM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",14.858,-1.497,-1.233,3.10964,-3.961,0.02,79,85,-0.895,8,8,0,0,"helix",0.833333333333333,7.08,7.18700589334483e-05,9.70142977291842,188179.926264681,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,2,2,-2,0,0,0,0,0,-1,4,-5,-4,-4,0,-2,-5,-0.379179331306991,-0.318604651162791,0.113259857662133,-0.67536231884058,0.0112359550561797,0.831578947368421,-0.737232289950577,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",-0.993,-0.827,"9:8","147/150","G:S:A",12.1451538387267,0.919026337424242,119.468044436246,0.101660271548246,5.01153666061373e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","PRO",0,"NG70","ERR1679638","lineage4.6","ng","Nigeria","pnca_p.ala146pro","A","H","ALA","AA146","pnca_complex.pdb"
|
||||
"A146T","L4","PZA","A","A146",146,"T",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",14.858,-0.252,-2.074,1.48094,-2.71,-1.44,53,75,-0.895,8,8,0,0,"helix",0.833333333333333,7.08,0.0007187005893344,7.28887484197219,7.28887438834092,7.28728068125885,10.1421736186998,0,0,0,0,0,0,0,0,0,-2,0,-4,0,0,0,0,0,-5,0,-1,-4,-6,0,-2,-7,-0.0638297872340425,-0.535917312661499,0.053939058413887,-0.462063086104007,-0.37696335078534,0.557894736842105,-0.737232289950577,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","G:S:A",1.9863491292074,0.0021008470164788,0.645842738542518,3.07559257179235,2.08051219809968,28.5295272509804,0.862660492976905,0.0027830995390782,2.55547126060833,1.72659076531017,35.1741774538487,0.0014491518456837,"lineage4","dr_mutations_pyrazinamide","THR",0,"SRR3724799","SRR3724799","lineage4.3.4.2.1","cd","DRC","pnca_p.ala146thr","A","H","ALA","AA146","pnca_complex.pdb"
|
||||
"A146V","L4","PZA","A","A146",146,"V",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",14.858,-1.712,-0.425,0.463909,-2.215,-0.75,63,80,-0.895,8,8,0,0,"helix",0.833333333333333,7.08,0.0010061808250682,63.3736263736264,63.3734135554618,63.3515540724066,51.5211006732107,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-9,0,-3,-8,-4,0,-2,-5,-0.433637284701115,-0.109819121447028,0.0168965755869434,-0.37766410912191,-0.196335078534031,0.663157894736842,-0.737232289950577,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","147/150","G:S:A",4.14904442894259,6.28168511875833e-05,1.03675010392783,4.0019715582603,12.6188969963258,1151.617862186,1.8019085590898,1.22416292455872e-09,8.91216077783748,9.50473092944164,2653.71554384332,7.08317026236427e-13,"lineage4","dr_mutations_pyrazinamide","VAL",0,"SAMN02567715","SRR1166171","lineage4.8","ro","Romania","pnca_p.ala146val","A","H","ALA","AA146","pnca_complex.pdb"
|
||||
"R148C","L2","PZA","R","R148",148,"C",NA,"Pre-XDR","OM","hydrophilic","hydrophobic","basic","neutral","pos","non-polar",14.673,-0.94,-0.277,1.80299,-0.806,0.84,39,66,1.306,1,1,156,0.569343065693431,"helix",-1.26666666666667,3.5,NA,NA,NA,NA,NA,38,22,0,0,22,0,0,0,0,0,0,0,2,0,0,0,0,-3,0,-7,3,6,0,6,4,-0.238095238095238,-0.0715762273901808,0.0656688204313843,-0.137425404944587,0.47191011235955,0.410526315789474,0.418589743589744,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",0.842,1.712,"2:1","146/150","I:R:K:N:L:Q:E:H:W:D:M:S:A:G:T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","CYS",0,"SAMN02414984","SRR1166878_SRR1162765_SRR1165490_SRR1165550","lineage2.2.1","se","Sweden","pnca_p.arg148cys","A","H","ARG","RA148","pnca_complex.pdb"
|
||||
"N149D","L4","PZA","N","N149",149,"D",NA,"Sensitive","OM","hydrophilic","hydrophilic","neutral","acidic","polar","neg",16.469,-0.043,0.469,1.84951,-0.656,0.16,-34,66,0.97,1,1,71,0.364102564102564,"loop",-2.8,3.68,NA,NA,NA,NA,NA,0,-5,0,0,-5,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,2,-0.0108915906788247,0.398809523809524,0.0673631800930951,-0.111849957374254,0.0898876404494382,-0.365591397849462,0.310897435897436,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","neutral",0.59,1.183,"3:1","146/150","Q:E:Y:H:F:C:R:K:L:N:G:M:S:A:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ASP",0,"SRR5065677","SRR5065677","lineage4.1.2.1","vn","Vietnam","pnca_p.asn149asp","A","T","ASN","NA149","pnca_complex.pdb"
|
||||
"N149S","L2","PZA","N","N149",149,"S",NA,"Pre-MDR","OM","hydrophilic","hydrophilic","neutral","neutral","polar","polar",16.469,-0.233,-0.42,0.889156,-0.206,0.47,-76,87,0.97,1,1,71,0.364102564102564,"loop",-2.8,3.68,NA,NA,NA,NA,NA,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-0.0590172239108409,-0.108527131782946,0.0323849969769593,-0.0351236146632566,0.264044943820225,-0.817204301075269,0.310897435897436,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","neutral",0.59,1.183,"3:1","146/150","Q:E:Y:H:F:C:R:K:L:N:G:M:S:A:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","SER",0,"SRR5074122","SRR5074122","lineage2.2.2","vn","Vietnam","pnca_p.asn149ser","A","T","ASN","NA149","pnca_complex.pdb"
|
||||
"N149V","L2","PZA","N","N149",149,"V",1,"Pre-XDR","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",16.469,-0.706,-0.064,0.446809,-0.317,-0.26,-28,61,0.97,1,1,71,0.364102564102564,"loop",-2.8,3.68,7.18700589334483e-05,9.70142977291842,188179.926264649,Inf,0.763784339928386,16,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,-3,0,-3,0,0,0,0,-2,-0.178824721377913,-0.0165374677002583,0.0162737563647754,-0.0540494458653026,-0.0680628272251308,-0.301075268817204,0.310897435897436,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.59,1.183,"3:1","146/150","Q:E:Y:H:F:C:R:K:L:N:G:M:S:A:D",12.1451538387265,0.919026337424236,119.468044436237,0.101660271548253,5.01153666062283e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","VAL",0,"MDR_12332","SRR6824501","lineage2.2.1","cn","China: Xuanzhou District, Xuancheng City, Anhui Province","pnca_p.asn149val","A","T","ASN","NA149","pnca_complex.pdb"
|
||||
"G150D","L4","PZA","G","G150",150,"D",NA,"MDR","OM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",21.16,1.269,-0.785,3.55888,-0.949,-0.34,51,75,-0.715,8,8,63,0.605769230769231,"loop",-0.0333333333333334,3.34,7.18700589334483e-05,9.70142977291842,188179.926264446,Inf,0.763784339928386,-12,-18,0,-2,-16,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-3,0,-2,0,-3,-9,0.569058295964126,-0.202842377260982,0.129622156338551,-0.161807331628303,-0.0890052356020942,0.536842105263158,-0.588962108731466,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.615,"8:7","146/150","G:E:H:Q:L:D:R",12.1451538387254,0.9190263374242,119.468044436172,0.101660271548298,5.01153666068333e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","ASP",0,"ERR2179651","ERR2179651","lineage4.4.2","cn","China","pnca_p.gly150asp","A","T","GLY","GA150","pnca_complex.pdb"
|
||||
"L151S","L4","PZA","L","L151",151,"S",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",18.507,0.079,-2.523,3.86505,-2.175,-2.07,57,75,-0.04,5,5,10,0.0497512437810945,"loop",1.73333333333333,5.31,0.0010061808250682,8.75696202531646,8.7569577260426,8.75484033225151,18.8086142562631,18,0,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,-3,0,-3,0,10,0,4,8,0.0354260089686098,-0.651937984496124,0.140773534189497,-0.370843989769821,-0.541884816753927,0.6,-0.0329489291598023,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","145/150","Q:F:Y:I:R:L:V:M:W",2.16984855308098,0.0001010560982854,0.558082575591327,3.888042106998,3.02252426488638,28.523060095548,0.942353466387901,0.0001077244819236,3.96768558587492,2.63211458386555,33.2911283333248,1.44512946670157e-05,"lineage4","dr_mutations_pyrazinamide","SER",0,"SAMN02403582","SRR1169250_SRR1167347_SRR1165654_SRR1169315","lineage4.8","za","South Africa","pnca_p.leu151ser","A","-","LEU","LA151","pnca_complex.pdb"
|
||||
"L151V","L2","PZA","L","L151",151,"V",NA,"Other","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",18.507,-1.269,-1.74,1.09305,-1.108,-1.93,31,66,-0.04,5,5,10,0.0497512437810945,"loop",1.73333333333333,5.31,NA,NA,NA,NA,NA,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-1,-4,-2,0,-2,2,-0.321428571428571,-0.449612403100775,0.0398112602801594,-0.188917306052856,-0.505235602094241,0.326315789473684,-0.0329489291598023,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","145/150","Q:F:Y:I:R:L:V:M:W",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","VAL",0,"SRR5067646","SRR5067646","lineage2.2.1.1","vn","Vietnam","pnca_p.leu151val","A","-","LEU","LA151","pnca_complex.pdb"
|
||||
"L151W","L2;L4","PZA","L","L151",151,"W",1,"XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",18.507,-0.714,-1.831,2.01402,-0.33,-2.26,20,63,-0.04,5,5,10,0.0497512437810945,"loop",1.73333333333333,5.31,7.18700589334483e-05,9.70142977291842,188179.926264453,Inf,0.763784339928386,-22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-11,0,-3,-10,-10,0,-16,-2,-0.180851063829787,-0.47312661498708,0.0733549923877651,-0.0562659846547315,-0.591623036649215,0.210526315789474,-0.0329489291598023,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","145/150","Q:F:Y:I:R:L:V:M:W",12.1451538387255,0.919026337424201,119.468044436174,0.101660271548297,5.01153666068148e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2;lineage4","other_mutations_pyrazinamide","TRP",0,"XTB13-245","SRR1172073_SRR1163374_SRR1163172_SRR1169046","lineage4.3.3;lineage2.2.1","by","Belarus","pnca_p.leu151trp","A","-","LEU","LA151","pnca_complex.pdb"
|
||||
"T153I","L4","PZA","T","T153",153,"I",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",15.544,-2.111,0.532,-0.698929,-1.456,-0.46,43,71,-0.188,6,6,12,0.0697674418604651,"strand",-1.13333333333333,5.38,NA,NA,NA,NA,NA,-20,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-11,0,-5,-8,-2,0,-4,-2,-0.534701114488348,0.452380952380952,-0.134378412673998,-0.248252344416027,-0.120418848167539,0.452631578947368,-0.154859967051071,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","144/150","V:C:A:S:T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ILE",0,"SRR5067274","SRR5067274","lineage4.2.2","vn","Vietnam","pnca_p.thr153ile","A","E","THR","TA153","pnca_complex.pdb"
|
||||
"T153P","L2","PZA","T","T153",153,"P",1,"Pre-XDR","OM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",15.544,-2.212,-0.926,3.60938,-4.405,-0.6,70,85,-0.188,6,6,12,0.0697674418604651,"strand",-1.13333333333333,5.38,7.18700589334483e-05,9.70142977291842,188179.926264634,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-6,0,-6,-2,6,0,8,0,-0.560283687943262,-0.239276485788114,0.131461476263667,-0.751065643648764,-0.157068062827225,0.736842105263158,-0.154859967051071,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.038,"7:5","144/150","V:C:A:S:T",12.1451538387264,0.919026337424234,119.468044436232,0.101660271548256,5.0115366606273e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","PRO",0,"SAMN10961392","SRR8651662","lineage2.2.1","cn","China:Wenzhou","pnca_p.thr153pro","A","E","THR","TA153","pnca_complex.pdb"
|
||||
"R154G","L4","PZA","R","R154",154,"G",NA,"XDR","DM","hydrophilic","hydrophobic","basic","neutral","pos","non-polar",15.259,-2.707,-1.337,4.31639,-1.992,-1.71,73,85,1.542,1,1,60,0.218978102189781,"strand",-0.333333333333333,5.21,0.0011499209429351,34.1357293868922,34.1353729715529,34.1417078158954,51.1500808664409,66,28,0,4,24,0,0,0,0,2,0,0,2,0,0,0,0,0,0,-1,1,10,0,11,21,-0.685663627152989,-0.345478036175711,0.157212319437059,-0.339641943734015,-0.447643979057592,0.768421052631579,0.494230769230769,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.842,1.712,"2:1","144/150","T:W:E:F:Q:V:N:L:R:I:C:S:A:D:Y:H",3.530334177178,2.90603701922833e-06,0.754772029037902,4.6773516258652,9.53076902254824,217.507266299408,1.53320918696851,1.50118436279358e-09,8.82356596809844,7.82937374234326,309.275011521707,8.55671558873616e-13,"lineage4","dr_mutations_pyrazinamide","GLY",0,"SAMN02403532","SRR1165336_SRR1167260_SRR1173456_SRR1173876","lineage4.1.1.3","za","South Africa","pnca_p.arg154gly","A","E","ARG","RA154","pnca_complex.pdb"
|
||||
"R154S","L2","PZA","R","R154",154,"S",NA,"MDR","OM","hydrophilic","hydrophilic","basic","neutral","pos","polar",15.259,-2.614,-2.044,2.37151,-1.076,-1.74,55,75,1.542,1,1,60,0.218978102189781,"strand",-0.333333333333333,5.21,NA,NA,NA,NA,NA,60,28,0,4,24,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,10,0,4,6,-0.662107396149949,-0.528165374677003,0.0863755563487496,-0.183461210571185,-0.455497382198953,0.578947368421053,0.494230769230769,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.842,1.712,"2:1","144/150","T:W:E:F:Q:V:N:L:R:I:C:S:A:D:Y:H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","SER",0,"ERR1023404","ERR1023404","lineage2.2.1","","","pnca_p.arg154ser","A","E","ARG","RA154","pnca_complex.pdb"
|
||||
"R154W","L2","PZA","R","R154",154,"W",NA,"MDR","OM","hydrophilic","hydrophobic","basic","non-polar","pos","non-polar",15.259,-1.381,-0.436,2.7463,-0.368,-0.6,56,75,1.542,1,1,60,0.218978102189781,"strand",-0.333333333333333,5.21,NA,NA,NA,NA,NA,10,28,0,4,24,0,0,0,0,2,0,0,2,0,0,0,0,-4,0,-3,-1,10,0,4,6,-0.349797365754813,-0.11266149870801,0.100026223967249,-0.0627450980392157,-0.157068062827225,0.589473684210526,0.494230769230769,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.842,1.712,"2:1","144/150","T:W:E:F:Q:V:N:L:R:I:C:S:A:D:Y:H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","TRP",0,"SRS796973","SRR1723461","lineage2.2.1","cn","China:Shaanxi","pnca_p.arg154trp","A","E","ARG","RA154","pnca_complex.pdb"
|
||||
"V155A","L2;L4","PZA","V","V155",155,"A",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",12.302,-1.886,-3.049,3.6527,-2.972,-2.61,54,75,-0.482,7,7,0,0,"strand",1.16666666666667,7.97,7.18700589334483e-05,9.70142977291842,188179.926264589,Inf,0.763784339928386,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,-0.477710233029382,-0.787855297157623,0.133039284959826,-0.506734867860188,-0.683246073298429,0.568421052631579,-0.397034596375618,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.615,-0.411,"7:7","144/150","F:Y:I:L:V",12.1451538387262,0.919026337424226,119.468044436217,0.101660271548266,5.0115366606409e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2;lineage4","dr_mutations_pyrazinamide","ALA",0,"ERR1213939","ERR1213939","lineage4.3;lineage2.2.1","pe","Peru","pnca_p.val155ala","A","E","VAL","VA155","pnca_complex.pdb"
|
||||
"V155G","L2","PZA","V","V155",155,"G",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",12.302,-1.655,-3.675,5.87683,-4.368,-3.48,72,85,-0.482,7,7,0,0,"strand",1.16666666666667,7.97,0.0004312203536006,24.2923336141533,24.2923334241601,24.2833096922897,14.1977442691074,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,3,25,-0.41919959473151,-0.949612403100775,0.214046940901376,-0.744757033248082,-0.910994764397906,0.757894736842105,-0.397034596375618,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.615,-0.411,"7:7","144/150","F:Y:I:L:V",3.19016080361873,0.0035954281300594,1.09565968954934,2.91163472932996,3.91551977432402,465.531063220228,1.38546923679232,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,0.0001645676755807,"lineage2","dr_mutations_pyrazinamide","GLY",0,"SAMN03653311,SRS935922","SRR2024894","lineage2.2.1","cn","China","pnca_p.val155gly","A","E","VAL","VA155","pnca_complex.pdb"
|
||||
"V155L","L4","PZA","V","V155",155,"L",1,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",12.302,-2.349,-1.141,-0.756754,-1.463,-1.05,-14,57,-0.482,7,7,0,0,"strand",1.16666666666667,7.97,7.18700589334483e-05,9.70142977291842,188179.926264586,Inf,0.763784339928386,-34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6,0,-2,-4,-8,0,-8,-2,-0.594984802431611,-0.294832041343669,-0.145496039375529,-0.249445865302643,-0.274869109947644,-0.150537634408602,-0.397034596375618,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",-0.615,-0.411,"7:7","144/150","F:Y:I:L:V",12.1451538387262,0.919026337424224,119.468044436215,0.101660271548268,5.01153666064309e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","LEU",0,"ERR2864270","ERR2864270","lineage4.1","pt","Portugal","pnca_p.val155leu","A","E","VAL","VA155","pnca_complex.pdb"
|
||||
"V155M","L2","PZA","V","V155",155,"M",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",12.302,-2.486,-1.505,-0.575554,-2.196,-1.23,51,75,-0.482,7,7,0,0,"strand",1.16666666666667,7.97,0.0004312203536006,58.3312262958281,1393450.94022009,Inf,23.547488635408,-48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-8,0,0,-8,-4,0,-4,0,-0.629685916919959,-0.388888888888889,-0.110657925094209,-0.374424552429668,-0.321989528795811,0.536842105263158,-0.397034596375618,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.615,-0.411,"7:7","144/150","F:Y:I:L:V",14.1472939191273,0.915018435774946,132.576060676167,0.106710773023222,4.1789618205157,NA,1.7659011066874,2.48532104922106e-05,4.60461750194108,5.71767556863798,Inf,1.21868387173808e-06,"lineage2","dr_mutations_pyrazinamide","MET",0,"SRS797250","SRR1723776","lineage2.2.1","cn","China:Heilongjiang","pnca_p.val155met","A","E","VAL","VA155","pnca_complex.pdb"
|
||||
"L156P","L2","PZA","L","L156",156,"P",1,"XDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",13.994,-1.81,-2.813,2.74955,-3.96,-1.74,63,80,0.122,5,5,0,0,"strand",4.06666666666667,6.53,0.0001437401178668,19.411022297013,511754.463553313,Inf,4.73122070382274,18,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,4,2,0,2,0,0,-2,-2,-0.458459979736575,-0.72687338501292,0.100144596041638,-0.675191815856777,-0.455497382198953,0.663157894736842,0.0391025641025641,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","144/150","L:V:N:R:I:K:F:H:P",13.1456002256219,0.924803768447042,139.277183326662,0.0943844491368703,0.000162837134443,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","dr_mutations_pyrazinamide","PRO",0,"ERR108455,0716E-sc-2011-10-12T14:58:55Z-1289120","ERR108455","lineage2.2.1","ru","Russia,Samara","pnca_p.leu156pro","A","E","LEU","LA156","pnca_complex.pdb"
|
||||
"L156Q","L4","PZA","L","L156",156,"Q",1,"Pre-MDR","OM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",13.994,-0.36,-2.863,2.41139,-4.191,-2.69,41,71,0.122,5,5,0,0,"strand",4.06666666666667,6.53,7.18700589334483e-05,9.70142977291842,188179.92626469,Inf,0.763784339928386,-14,0,0,0,0,0,0,0,0,-2,0,0,-2,0,0,0,0,3,0,-2,5,0,0,0,0,-0.0911854103343465,-0.739793281653747,0.0878280727569403,-0.71457800511509,-0.704188481675393,0.431578947368421,0.0391025641025641,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.147,0.225,"6:4","144/150","L:V:N:R:I:K:F:H:P",12.1451538387267,0.919026337424244,119.46804443625,0.101660271548243,5.01153666061033e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","other_mutations_pyrazinamide","GLN",0,"ERR038749","ERR038749","lineage4.6.1.2","ug","Uganda","pnca_p.leu156gln","A","E","LEU","LA156","pnca_complex.pdb"
|
||||
"V157A","L2","PZA","V","V157",157,"A",1,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",13.632,-0.931,-1.625,0.858959,-1.03,-1.74,-36,66,0.579,3,3,45,0.258620689655172,"strand",1.5,4.12,7.18700589334483e-05,9.70142977291842,188179.926264427,Inf,0.763784339928386,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,2,0,0,5,-0.235815602836879,-0.419896640826873,0.0312851565060934,-0.175618073316283,-0.455497382198953,-0.387096774193548,0.185576923076923,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.225,0.842,"4:2","144/150","Q:F:E:I:R:L:V:T:W:K:P:S:M:G:A:D",12.1451538387253,0.919026337424197,119.468044436166,0.101660271548303,5.01153666068889e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","ALA",0,"ERR2516727","ERR2516727","lineage2.2.1.1","pe","Peru","pnca_p.val157ala","A","E","VAL","VA157","pnca_complex.pdb"
|
||||
"V157G","L2","PZA","V","V157",157,"G",1,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",13.632,-0.926,-1.896,1.97999,-1.919,-2.35,-7,53,0.579,3,3,45,0.258620689655172,"strand",1.5,4.12,7.18700589334483e-05,9.70142977291842,188179.926264401,Inf,0.763784339928386,-2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,2,0,3,17,-0.234549138804458,-0.489922480620155,0.072115545713474,-0.327195225916454,-0.615183246073298,-0.0752688172043011,0.185576923076923,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.225,0.842,"4:2","144/150","Q:F:E:I:R:L:V:T:W:K:P:S:M:G:A:D",12.1451538387252,0.919026337424192,119.468044436158,0.101660271548309,5.01153666069661e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","GLY",0,"MDR_12366","SRR6824636","lineage2.2.1","cn","China: Xuanzhou District, Xuancheng City, Anhui Province","pnca_p.val157gly","A","E","VAL","VA157","pnca_complex.pdb"
|
||||
"V157L","L4","PZA","V","V157",157,"L",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",13.632,-0.972,-0.484,-2.04339,1.184,-0.57,-43,72,0.579,3,3,45,0.258620689655172,"strand",1.5,4.12,NA,NA,NA,NA,NA,-18,0,0,0,0,0,0,0,0,2,0,-2,2,0,0,0,0,-3,0,1,-4,-4,0,-2,-2,-0.246200607902736,-0.125064599483204,-0.392868953318465,1,-0.149214659685864,-0.462365591397849,0.185576923076923,"Destabilising","Destabilising","Stabilising","Stabilising","Destabilising","neutral",0.225,0.842,"4:2","144/150","Q:F:E:I:R:L:V:T:W:K:P:S:M:G:A:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","LEU",0,"ERR1198987","ERR1198987","lineage4.6.1.1","ug","Uganda","pnca_p.val157leu","A","E","VAL","VA157","pnca_complex.pdb"
|
||||
"L159P","L4","PZA","L","L159",159,"P",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",11.435,-1.752,-1.412,6.08412,-4.496,-0.94,92,95,-0.599,7,7,6,0.0298507462686567,"strand",-0.133333333333333,5.42,NA,NA,NA,NA,NA,24,4,0,0,4,0,0,0,0,2,2,2,0,0,0,0,0,2,4,-4,0,-4,0,-2,-2,-0.443768996960486,-0.364857881136951,0.221596893916768,-0.766581415174766,-0.246073298429319,0.968421052631579,-0.49341021416804,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","141/150","G:A:M:H:F:Y:L:V",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR1034843","ERR1034843","lineage4.7","pt","Portugal","pnca_p.leu159pro","A","E","LEU","LA159","pnca_complex.pdb"
|
||||
"L159R","L2","PZA","L","L159",159,"R",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",11.435,-1.154,-0.753,0.0571381999999999,-4.133,-0.41,89,91,-0.599,7,7,6,0.0298507462686567,"strand",-0.133333333333333,5.42,0.0005030904125341,68.0817875210792,1394038.39846606,Inf,28.35828361563,-56,-26,0,-2,-24,0,0,0,0,-4,0,-2,-2,0,0,0,0,-3,0,0,-5,-4,0,-4,0,-0.292299898682877,-0.194573643410853,0.00208109761871808,-0.704688832054561,-0.107329842931937,0.936842105263158,-0.49341021416804,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","141/150","G:A:M:H:F:Y:L:V",14.1477154154513,0.908235680147999,122.741582019401,0.115264242017143,22.9578143501753,NA,1.83303094984313,4.24048522418865e-06,5.37258444573496,7.00237574052121,Inf,1.00814491180914e-07,"lineage2","dr_mutations_pyrazinamide","ARG",0,"SRR5065596","SRR5065596","lineage2.2.1","vn","Vietnam","pnca_p.leu159arg","A","E","LEU","LA159","pnca_complex.pdb"
|
||||
"L159V","L2","PZA","L","L159",159,"V",0,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",11.435,-1.82,-1.126,2.84083,-2.332,-1.09,60,80,-0.599,7,7,6,0.0298507462686567,"strand",-0.133333333333333,5.42,0.0001437401178668,4.85029436501262,4.85029432717735,4.84956447904112,0.0881192621863332,22,4,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,-8,0,-2,-6,10,0,-2,8,-0.460992907801418,-0.290956072351421,0.103469212334006,-0.397612958226769,-0.285340314136126,0.631578947368421,-0.49341021416804,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.728,-0.485,"8:7","141/150","G:A:M:H:F:Y:L:V",1.57903938912402,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673846,122.683760399179,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage2","dr_mutations_pyrazinamide","VAL",0,"ERS458597,SAMEA2535195","ERR553180_ERR553181","lineage2.2.1","uz","Nukus","pnca_p.leu159val","A","E","LEU","LA159","pnca_complex.pdb"
|
||||
"T160A","L2","PZA","T","T160",160,"A",1,"XDR","DM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",9.847,-2.509,-0.842,2.1045,-1.519,-0.73,57,75,-0.228,6,6,22,0.127906976744186,"strand",1.63333333333333,4.98,0.0005749604714675,77.8405735976381,1394626.35224664,Inf,33.1802749271012,8,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,2,0,4,3,-0.635511651469098,-0.217571059431524,0.0766504709387452,-0.258994032395567,-0.19109947643979,0.6,-0.187808896210873,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.147,"7:6","141/150","V:C:I:M:S:T",14.1481370895081,0.901927875940744,114.814237034519,0.123226330243822,82.9586021395589,NA,1.89120602753485,7.2326389241213e-07,6.1407032156959,8.29603358299821,Inf,8.39983046099388e-09,"lineage2","dr_mutations_pyrazinamide","ALA",0,"ERR1873556","ERR1873556","lineage2.2.1","za","South Africa","pnca_p.thr160ala","A","E","THR","TA160","pnca_complex.pdb"
|
||||
"T160P","L2","PZA","T","T160",160,"P",NA,"XDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",9.847,-2.375,-0.79,3.37194,-3.753,-0.23,91,95,-0.228,6,6,22,0.127906976744186,"strand",1.63333333333333,4.98,0.0002156101768003,29.1287878787879,511969.848428359,Inf,9.2872640727157,6,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-4,2,-6,0,0,0,0,-4,-0.601570415400203,-0.204134366925065,0.122813394619716,-0.639897698209719,-0.0602094240837696,0.957894736842105,-0.187808896210873,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.147,"7:6","141/150","V:C:I:M:S:T",13.1460210124992,0.907969111549571,113.719344731883,0.115600569485286,0.183926936278634,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage2","dr_mutations_pyrazinamide","PRO",0,"SRR5710026,SAMN07236538","SRR5710026","lineage2.2.1","th","Thailand","pnca_p.thr160pro","A","E","THR","TA160","pnca_complex.pdb"
|
||||
"T160R","L4","PZA","T","T160",160,"R",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","basic","polar","pos",9.847,-2.007,-0.456,2.8141,-2.869,-0.29,83,91,-0.228,6,6,22,0.127906976744186,"strand",1.63333333333333,4.98,0.0001437401178668,19.411022297013,511754.463552351,Inf,4.73122070382274,-80,-36,0,-2,-34,0,0,0,0,0,0,-2,0,0,0,0,0,-5,0,-2,-3,-8,0,-2,-4,-0.508358662613982,-0.117829457364341,0.10249564754988,-0.489173060528559,-0.0759162303664921,0.873684210526316,-0.187808896210873,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.411,-0.147,"7:6","141/150","V:C:I:M:S:T",13.14560022562,0.924803768446983,139.277183326532,0.0943844491369454,0.000162837134446,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","dr_mutations_pyrazinamide","ARG",0,"SRR4034747","SRR4034747","lineage4.4.1.1","za","South Africa: Kwazulu-Natal","pnca_p.thr160arg","A","E","THR","TA160","pnca_complex.pdb"
|
||||
"A161G","L2","PZA","A","A161",161,"G",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",7.033,-0.925,-0.745,2.35053,-1.432,-1.02,50,75,-0.773,8,8,11,0.0852713178294573,"strand",0.233333333333333,4.53,NA,NA,NA,NA,NA,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,11,10,-0.234295845997974,-0.19250645994832,0.0856114190808499,-0.244160272804774,-0.267015706806283,0.526315789473684,-0.63673805601318,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.872,-0.728,"8:8","141/150","E:Q:V:I:R:K:S:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","GLY",0,"SRS797195","SRR1723714","lineage2.2.1","cn","China:Shanxi","pnca_p.ala161gly","A","E","ALA","AA161","pnca_complex.pdb"
|
||||
"A161V","L1","PZA","A","A161",161,"V",NA,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",7.033,-0.846,0.043,-2.66025,0.125,-0.2,21,63,-0.773,8,8,11,0.0852713178294573,"strand",0.233333333333333,4.53,NA,NA,NA,NA,NA,-2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-1,-4,-2,0,-4,-3,-0.214285714285714,0.0365646258503401,-0.511468507267554,0.105574324324324,-0.0523560209424083,0.221052631578947,-0.63673805601318,"Destabilising","Stabilising","Stabilising","Stabilising","Destabilising","effect",-0.872,-0.728,"8:8","141/150","E:Q:V:I:R:K:S:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","VAL",0,"ERR752069","ERR752069","lineage1.1.1","th","Thailand","pnca_p.ala161val","A","E","ALA","AA161","pnca_complex.pdb"
|
||||
"G162A","L4","PZA","G","G162",162,"A",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",8.315,-0.164,-0.551,0.560964,-1.074,-0.09,10,59,-0.02,5,5,26,0.25,"loop",1.86666666666667,3.93,NA,NA,NA,NA,NA,-6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,-2,-2,0,0,-1,-12,-0.0415400202634245,-0.142377260981912,0.0204315299499559,-0.183120204603581,-0.0235602094240837,0.105263157894737,-0.0164744645799012,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","141/150","F:S:G:A:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","ALA",0,"SAMN02584635","SRR1166166_SRR1169042","lineage4.2.1","md","Moldova","pnca_p.gly162ala","A","-","GLY","GA162","pnca_complex.pdb"
|
||||
"G162D","L4","PZA","G","G162",162,"D",1,"MDR","DM","hydrophobic","hydrophilic","neutral","acidic","non-polar","neg",8.315,2.23,-1.037,3.43178,-1.558,-0.94,79,85,-0.02,5,5,26,0.25,"loop",1.86666666666667,3.93,0.0002874802357337,38.8547368421053,1392277.5078503,Inf,13.9909822352959,-20,-24,0,0,-24,0,0,0,0,0,0,0,0,0,0,0,0,-6,0,0,-4,-4,0,-5,-19,1,-0.267958656330749,0.124992897675537,-0.265643648763853,-0.246073298429319,0.831578947368421,-0.0164744645799012,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","141/150","F:S:G:A:P",14.146451459095,0.930573112990214,162.371849599053,0.0871237932808364,0.0113995443355929,NA,1.58944397188817,0.0008528275207519,3.06913879340442,3.20302487654751,Inf,0.0001836895199759,"lineage4","dr_mutations_pyrazinamide","ASP",0,"ERR038742","ERR038742","lineage4.8","ug","Uganda","pnca_p.gly162asp","A","-","GLY","GA162","pnca_complex.pdb"
|
||||
"G162R","L5","PZA","G","G162",162,"R",NA,"Sensitive","OM","hydrophobic","hydrophilic","neutral","basic","non-polar","pos",8.315,-0.04,-0.44,3.42463,-0.961,-0.15,87,91,-0.02,5,5,26,0.25,"loop",1.86666666666667,3.93,NA,NA,NA,NA,NA,-68,-22,0,0,-22,0,0,0,0,0,0,0,0,0,0,0,0,-7,0,-3,-5,-2,0,-5,-17,-0.0101317122593718,-0.113695090439276,0.124732479111882,-0.16385336743393,-0.0392670157068062,0.91578947368421,-0.0164744645799012,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","141/150","F:S:G:A:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage5","other_mutations_pyrazinamide","ARG",0,"ERR702413","ERR702413","lineage5","gh","Ghana","pnca_p.gly162arg","A","-","GLY","GA162","pnca_complex.pdb"
|
||||
"G162S","LBOV","PZA","G","G162",162,"S",NA,"Other","OM","hydrophobic","hydrophilic","neutral","neutral","non-polar","polar",8.315,0.821,-0.866,0.905309,-1.14,-0.55,21,63,-0.02,5,5,26,0.25,"loop",1.86666666666667,3.93,NA,NA,NA,NA,NA,-6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-6,0,-2,-4,0,0,-3,-13,0.368161434977578,-0.223772609819121,0.0329733243977593,-0.194373401534527,-0.143979057591623,0.221052631578947,-0.0164744645799012,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","141/150","F:S:G:A:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineageBOV","other_mutations_pyrazinamide","SER",0,"SRR5657412","SRR5657412","lineageBOV","mx","","pnca_p.gly162ser","A","-","GLY","GA162","pnca_complex.pdb"
|
||||
"G162V","L3","PZA","G","G162",162,"V",NA,"XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","non-polar","non-polar",8.315,-0.162,-0.386,2.07181,-1.467,-1.39,66,80,-0.02,5,5,26,0.25,"loop",1.86666666666667,3.93,NA,NA,NA,NA,NA,-6,-2,0,0,-2,0,0,0,0,6,0,2,2,0,0,0,0,-10,0,-2,-8,4,0,3,-19,-0.0410334346504559,-0.0997416020671834,0.075459829981279,-0.250127877237852,-0.363874345549738,0.694736842105263,-0.0164744645799012,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.244,0.083,"6:5","141/150","F:S:G:A:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage3","other_mutations_pyrazinamide","VAL",0,"ERR3335739","ERR3335739","lineage3","pk","Pakistan","pnca_p.gly162val","A","-","GLY","GA162","pnca_complex.pdb"
|
||||
"V163A","L2","PZA","V","V163",163,"A",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",6.663,0.052,-0.478,0.471406,-0.834,-0.36,65,80,-1.017,9,9,87,0.5,"loop",1,4.02,0.0002156101768003,0.807902480033628,4.5966027178937e-05,0,0.000393645565148,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,6,1,0.0233183856502242,-0.123514211886305,0.0171696326459254,-0.142199488491049,-0.094240837696335,0.684210526315789,-0.837726523887974,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.094,-0.993,"9:9","141/150","V:L:I:M",-9.98760797391822,0.930014323968985,113.719344729607,-0.087826816076596,NA,127.94873509896,-0.0926410587047397,1,0,0,11.7369754738005,0.984170607395186,"lineage2","other_mutations_pyrazinamide","ALA",0,"DRR185076","DRR185076","lineage2.2.1","vn","Vietnam","pnca_p.val163ala","A","S","VAL","VA163","pnca_complex.pdb"
|
||||
"V163G","L3","PZA","V","V163",163,"G",0,"MDR","OM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",6.663,0.031,-0.815,1.14986,-1.019,-0.88,75,85,-1.017,9,9,87,0.5,"loop",1,4.02,0.0001437401178668,1.2119588062211,4.59700131334254e-05,0,1.01056822389159e-25,2,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,-1,-1,2,6,0,11,13,0.0139013452914798,-0.210594315245478,0.0418804041404731,-0.173742540494459,-0.230366492146597,0.789473684210526,-0.837726523887974,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-1.094,-0.993,"9:9","141/150","V:L:I:M",-9.98752126245061,0.942832958100734,139.277183325398,-0.0717096729269461,NA,144471.706314857,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage3","other_mutations_pyrazinamide","GLY",0,"ERR2510439","ERR2510439","lineage3","pk","Pakistan","pnca_p.val163gly","A","S","VAL","VA163","pnca_complex.pdb"
|
||||
"V163L","L4","PZA","V","V163",163,"L",0,"Sensitive","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",6.663,0.072,-0.098,-0.813595,-0.458,-0.37,67,80,-1.017,9,9,87,0.5,"loop",1,4.02,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,0,-4,-6,0,0,-4,0.032286995515695,-0.0253229974160206,-0.156424478966392,-0.0780903665814152,-0.0968586387434555,0.705263157894737,-0.837726523887974,"Stabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-1.094,-0.993,"9:9","141/150","V:L:I:M",-8.98740878149642,0.940032862253634,119.468044435493,-0.0752285585987741,NA,4692673.5108124,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","LEU",0,"ERR2515073","ERR2515073","lineage4.1.1.3","gb","UK","pnca_p.val163leu","A","S","VAL","VA163","pnca_complex.pdb"
|
||||
"S164P","L4","PZA","S","S164",164,"P",NA,"Pre-XDR","DM","hydrophilic","hydrophilic","neutral","non-polar","polar","non-polar",10.588,-0.348,-0.304,4.82419,-1.323,-0.03,-23,61,-0.033,5,5,46,0.296774193548387,"loop",1.73333333333333,3.92,0.0004312203536006,58.3312262958281,1393450.9402227,Inf,23.547488635408,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,-4,2,-2,-6,-2,0,0,-2,-0.0881458966565349,-0.0785529715762273,0.175707500783077,-0.225575447570332,-0.0078534031413612,-0.247311827956989,-0.0271828665568369,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.244,0.083,"6:5","140/150","N:V:Q:H:F:E:D:T:G:A:S",14.1472939191292,0.915018435775013,132.576060676288,0.106710773023138,4.17896182047499,NA,1.7659011066874,2.48532104922106e-05,4.60461750194108,5.71767556863798,Inf,1.21868387173808e-06,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR2516576","ERR2516576","lineage4","pe","Peru","pnca_p.ser164pro","A","-","SER","SA164","pnca_complex.pdb"
|
||||
"T167I","L2","PZA","T","T167",167,"I",1,"Pre-XDR","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",10.663,-0.489,0.627,0.429573,-0.058,-0.04,19,59,0.303,4,4,57,0.331395348837209,"helix",-1.63333333333333,4.06,0.0001437401178668,4.85029436501262,4.85029432717736,4.84956447904112,0.0881192621863332,-6,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,-3,0,1,-2,0,0,0,-2,-0.123860182370821,0.533163265306122,0.0156459837265714,-0.00988917306052856,-0.0104712041884816,0.2,0.0971153846153846,"Destabilising","Stabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","129/150","L:N:R:E:Q:D:G:A:S:T:P",1.57903938912402,0.264247566376722,1.41439286276584,1.11640791656443,0.191756076673841,122.683760399237,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage2","other_mutations_pyrazinamide","ILE",0,"ERS458430,SAMEA2535028","ERR552955_ERR552956","lineage2.2.1","uz","Nukus","pnca_p.thr167ile","A","H","THR","TA167","pnca_complex.pdb"
|
||||
"T168I","L1","PZA","T","T168",168,"I",NA,"Sensitive","OM","hydrophobic","hydrophobic","neutral","non-polar","polar","non-polar",10.468,-1.201,0.963,-0.7812,-0.018,0.69,11,59,0.703,2,2,24,0.13953488372093,"helix",0.933333333333333,4.77,0.0002874802357337,0.605874316939891,1.69083297052993e-05,0,0.0596751347828363,-12,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,-3,0,-3,-2,0,0,0,0,-0.304204660587639,0.818877551020408,-0.150196108590325,-0.0030690537084399,0.387640449438202,0.115789473684211,0.225320512820513,"Destabilising","Stabilising","Stabilising","Destabilising","Stabilising","effect",0.389,0.842,"4:2","124/150","L:N:V:C:R:Y:H:F:W:G:S:A:T:P",-10.9877041754913,0.946048325624975,162.371849597271,-0.0676700068561389,NA,2065.08997177458,-0.217617456890647,1,0,0,7.34660540805975,0.807010141806273,"lineage1","other_mutations_pyrazinamide","ILE",0,"ERR768038","ERR768038","lineage1.1","th","Thailand","pnca_p.thr168ile","A","H","THR","TA168","pnca_complex.pdb"
|
||||
"T168N","L4","PZA","T","T168",168,"N",NA,"MDR","DM","hydrophobic","hydrophilic","neutral","neutral","polar","polar",10.468,-0.341,-0.505,0.148032,-1.149,-0.45,3,53,0.703,2,2,24,0.13953488372093,"helix",0.933333333333333,4.77,NA,NA,NA,NA,NA,-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,1,-2,-2,0,0,2,-0.0863728470111449,-0.130490956072351,0.00539164766643114,-0.195907928388747,-0.117801047120419,0.0315789473684211,0.225320512820513,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.389,0.842,"4:2","124/150","L:N:V:C:R:Y:H:F:W:G:S:A:T:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","ASN",0,"ERR1035323","ERR1035323","lineage4.3.3","br","Brazil","pnca_p.thr168asn","A","H","THR","TA168","pnca_complex.pdb"
|
||||
"T168P","L2","PZA","T","T168",168,"P",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",10.468,-1.31,0.151,3.22365,-1.21,0.61,49,71,0.703,2,2,24,0.13953488372093,"helix",0.933333333333333,4.77,NA,NA,NA,NA,NA,0,-2,0,0,-2,0,0,0,0,4,2,0,2,0,0,0,0,0,4,0,-4,2,0,2,-2,-0.331813576494427,0.128401360544218,0.117412350031687,-0.206308610400682,0.342696629213483,0.515789473684211,0.225320512820513,"Destabilising","Stabilising","Destabilising","Destabilising","Stabilising","effect",0.389,0.842,"4:2","124/150","L:N:V:C:R:Y:H:F:W:G:S:A:T:P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","dr_mutations_pyrazinamide","PRO",0,"SAMN02414858","SRR1162695_SRR1166879_SRR1165549_SRR1165524","lineage2.2.1","se","Sweden","pnca_p.thr168pro","A","H","THR","TA168","pnca_complex.pdb"
|
||||
"T168S","L3","PZA","T","T168",168,"S",1,"Pre-XDR","OM","hydrophobic","hydrophilic","neutral","neutral","polar","polar",10.468,-0.83,-0.382,0.47424,-0.28,0.09,-71,87,0.703,2,2,24,0.13953488372093,"helix",0.933333333333333,4.77,0.0002874802357337,1.61648444070648,1.61648999729673,1.61641362774286,5.75148528770432e-25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,2,0,2,4,-0.210233029381966,-0.0987080103359173,0.0172728530947924,-0.0477408354646206,0.0505617977528089,-0.763440860215054,0.225320512820513,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","neutral",0.389,0.842,"4:2","124/150","L:N:V:C:R:Y:H:F:W:G:S:A:T:P",0.480257130287145,0.677247786834332,1.1538493489906,0.416221693678882,0.0799389646162879,12.6318165284439,0.208571528713835,0.527693668101443,0.277618116975238,0.0307788891197694,20.1401594005,0.999999999999395,"lineage3","other_mutations_pyrazinamide","SER",0,"ERR2510560","ERR2510560","lineage3","pk","Pakistan","pnca_p.thr168ser","A","H","THR","TA168","pnca_complex.pdb"
|
||||
"A171E","L2","PZA","A","A171",171,"E",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","acidic","non-polar","neg",10.476,1.116,-2.671,3.52921,-3.951,-0.69,75,85,-0.872,8,8,5,0.0387596899224806,"helix",2.46666666666667,5.33,0.0001437401178668,1.2119588062211,4.59700131334266e-05,0,1.01056822389159e-25,-36,-26,0,0,-26,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-3,-3,0,0,0,-5,0.500448430493273,-0.690180878552972,0.128541510354825,-0.673657289002558,-0.180628272251309,0.789473684210526,-0.71828665568369,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","122/150","R:C:V:T:E:A",-9.98752126245058,0.942832958100734,139.277183325398,-0.0717096729269461,NA,144471.706314849,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","dr_mutations_pyrazinamide","GLU",0,"SAMN02584620","SRR1169146_SRR1166097","lineage2.2.1","md","Moldova","pnca_p.ala171glu","A","H","ALA","AA171","pnca_complex.pdb"
|
||||
"A171P","L4","PZA","A","A171",171,"P",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",10.476,-1.239,-1.241,4.26761,-3.012,-0.05,80,91,-0.872,8,8,5,0.0387596899224806,"helix",2.46666666666667,5.33,NA,NA,NA,NA,NA,-2,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,-3,4,-5,-4,4,0,2,1,-0.313829787234043,-0.320671834625323,0.155435645655927,-0.513554987212276,-0.013089005235602,0.842105263157895,-0.71828665568369,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","122/150","R:C:V:T:E:A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR1213889","ERR1213889","lineage4.3.4.2.1","rw","Rwanda","pnca_p.ala171pro","A","H","ALA","AA171","pnca_complex.pdb"
|
||||
"A171T","L3","PZA","A","A171",171,"T",0,"MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",10.476,0.043,-1.816,0.486585,-1.914,-1.47,25,63,-0.872,8,8,5,0.0387596899224806,"helix",2.46666666666667,5.33,0.0003593502946672,0.484657419083649,1.69068633684891e-05,0,0.177777263899814,-2,0,0,0,0,0,0,0,0,0,0,-2,0,0,0,0,0,-3,0,-1,-2,0,0,0,-5,0.0192825112107623,-0.469250645994832,0.0177224848665856,-0.326342710997442,-0.384816753926702,0.263157894736842,-0.71828665568369,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","122/150","R:C:V:T:E:A",-10.9877909019996,0.93969121942854,145.229797681913,-0.075657964669657,NA,60.3389082676185,-0.314565134742567,0.596111875058711,0.224672226566594,0,5.29224350433385,0.673290424524484,"lineage3","dr_mutations_pyrazinamide","THR",0,"ERR2510582","ERR2510582","lineage3","pk","Pakistan","pnca_p.ala171thr","A","H","ALA","AA171","pnca_complex.pdb"
|
||||
"A171V","L2","PZA","A","A171",171,"V",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",10.476,-1.298,-0.659,0.499158,-1.528,-0.62,38,66,-0.872,8,8,5,0.0387596899224806,"helix",2.46666666666667,5.33,0.0001437401178668,4.85029436501262,4.85029432717736,4.84956447904112,0.0881192621863332,-2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-7,0,-5,-6,2,0,2,-1,-0.328774062816616,-0.170284237726098,0.0181804208946743,-0.260528559249787,-0.162303664921466,0.4,-0.71828665568369,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.993,-0.827,"9:8","122/150","R:C:V:T:E:A",1.57903938912402,0.264247566376722,1.41439286276584,1.11640791656443,0.191756076673654,122.683760399096,0.685768096792206,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.766581879696361,"lineage2","dr_mutations_pyrazinamide","VAL",0,"ERR502955","ERR502955","lineage2.2.1","","","pnca_p.ala171val","A","H","ALA","AA171","pnca_complex.pdb"
|
||||
"L172P","L4","PZA","L","L172",172,"P",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",13.187,-1.353,-1.821,4.7117,-2.793,-1.44,79,85,1.192,1,1,51,0.253731343283582,"helix",0.7,4.4,0.0007187005893344,43.8,43.7999992563294,43.791882510185,32.5514826715601,14,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,3,4,1,-1,2,0,-2,4,-0.342705167173252,-0.470542635658915,0.17161037012216,-0.476214833759591,-0.37696335078534,0.831578947368421,0.382051282051282,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",0.59,1.183,"3:1","122/150","H:F:E:L:V:K:R:C:I:T:A:M:D:W",3.77963380040362,0.000336884092116,1.0542469487651,3.58515033392406,8.22614212186537,807.950983717549,1.6414741105041,1.04401171857701e-06,5.98129462653992,6.06119169154248,1899.94618136838,1.16076545932747e-08,"lineage4","dr_mutations_pyrazinamide","PRO",0,"ERR751403","ERR751403","lineage4.3.3","pe","","pnca_p.leu172pro","A","H","LEU","LA172","pnca_complex.pdb"
|
||||
"L172R","L4","PZA","L","L172",172,"R",NA,"MDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",13.187,-0.704,-0.848,-0.385063,-1.797,-0.43,33,66,1.192,1,1,51,0.253731343283582,"helix",0.7,4.4,0.0001437401178668,19.411022297013,511754.463552565,Inf,4.73122070382274,-32,-36,0,-2,-34,0,0,0,0,-2,0,0,-4,0,0,0,0,-8,0,-1,-6,-8,0,-8,0,-0.178318135764944,-0.219121447028424,-0.0740334922710144,-0.306393861892583,-0.112565445026178,0.347368421052632,0.382051282051282,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",0.59,1.183,"3:1","122/150","H:F:E:L:V:K:R:C:I:T:A:M:D:W",13.1456002256205,0.924803768446996,139.277183326561,0.0943844491369283,0.0001628371344453,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage4","dr_mutations_pyrazinamide","ARG",0,"ERR1035063","ERR1035063","lineage4.3.2.1","za","South Africa","pnca_p.leu172arg","A","H","LEU","LA172","pnca_complex.pdb"
|
||||
"E173G","L4","PZA","E","E173",173,"G",NA,"Sensitive","OM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",15.936,-0.78,-1.172,0.769667,-0.869,-1.04,-5,53,1.516,1,1,114,0.511210762331839,"helix",-1.06666666666667,3.82,NA,NA,NA,NA,NA,6,18,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,3,0,3,1,0,0,3,13,-0.197568389057751,-0.302842377260982,0.0280329475010745,-0.148167092924126,-0.272251308900524,-0.0537634408602151,0.485897435897436,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",0.842,1.712,"2:1","122/150","Q:E:F:H:K:R:L:V:S:M:G:A:T:D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","GLY",0,"ERR126622","ERR126622","lineage4.3.4.2.1","mw","Malawi","pnca_p.glu173gly","A","H","GLU","EA173","pnca_complex.pdb"
|
||||
"E174D","L2","PZA","E","E174",174,"D",1,"MDR","OM","hydrophilic","hydrophilic","acidic","acidic","neg","neg",14.835,-0.016,-0.698,0.557649,-0.445,-0.43,-14,57,-0.292,6,6,104,0.466367713004484,"helix",-1.7,3.93,7.18700589334483e-05,9.70142977291842,188179.926264691,Inf,0.763784339928386,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,-0.0040526849037487,-0.180361757105943,0.0203107904340795,-0.0758738277919864,-0.112565445026178,-0.150537634408602,-0.240527182866557,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.485,-0.147,"7:6","122/150","D:T:A:G:S:K:R:Q:E",12.1451538387268,0.919026337424243,119.468044436249,0.101660271548244,5.01153666061119e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage2","other_mutations_pyrazinamide","ASP",0,"ERS2592796","ERR2677451","lineage2.2.1","de","Germany","pnca_p.glu174asp","A","H","GLU","EA174","pnca_complex.pdb"
|
||||
"E174G","L2","PZA","E","E174",174,"G",0,"MDR","DM","hydrophilic","hydrophobic","acidic","neutral","neg","non-polar",14.835,-1.181,-0.868,0.834042,-0.968,-0.01,54,75,-0.292,6,6,104,0.466367713004484,"helix",-1.7,3.93,0.0001437401178668,1.2119588062211,4.59700131334288e-05,0,1.01056822389159e-25,22,22,0,0,22,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,3,15,-0.299138804457953,-0.224289405684755,0.0303776251283882,-0.165046888320546,-0.0026178010471204,0.568421052631579,-0.240527182866557,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.485,-0.147,"7:6","122/150","D:T:A:G:S:K:R:Q:E",-9.98752126245053,0.942832958100734,139.277183325396,-0.0717096729269466,NA,144471.706314838,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","dr_mutations_pyrazinamide","GLY",0,"MDR_11151","SRR6824687","lineage2.2.1","cn","China: Luqiao District, Taizhou City, Zhejiang Province","pnca_p.glu174gly","A","H","GLU","EA174","pnca_complex.pdb"
|
||||
"E174K","L1","PZA","E","E174",174,"K",NA,"Sensitive","OM","hydrophilic","hydrophobic","acidic","basic","neg","pos",14.835,-0.819,0.204,-0.813418,-0.452,-0.16,26,63,-0.292,6,6,104,0.466367713004484,"helix",-1.7,3.93,NA,NA,NA,NA,NA,-6,4,0,0,4,0,0,0,0,0,0,2,-2,0,0,0,0,0,0,0,-1,0,0,0,0,-0.207446808510638,0.173469387755102,-0.156390448358071,-0.0770673486786019,-0.0418848167539267,0.273684210526316,-0.240527182866557,"Destabilising","Stabilising","Stabilising","Destabilising","Destabilising","effect",-0.485,-0.147,"7:6","122/150","D:T:A:G:S:K:R:Q:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage1","other_mutations_pyrazinamide","LYS",0,"SRR5067256","SRR5067256","lineage1.1.1","vn","Vietnam","pnca_p.glu174lys","A","H","GLU","EA174","pnca_complex.pdb"
|
||||
"M175I","L2","PZA","M","M175",175,"I",NA,"Pre-XDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",11.016,-1.143,-0.676,1.67797,-1.272,-0.65,19,59,-0.521,7,7,0,0,"helix",-2.03333333333333,6.81,0.0002874802357337,1.61648444070648,1.61648999729673,1.61641362774286,5.75148528770432e-25,14,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,-5,0,-1,-4,6,0,4,4,-0.28951367781155,-0.174677002583979,0.0611153198959783,-0.216879795396419,-0.170157068062827,0.2,-0.429159802306425,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","120/150","F:M:I:W:C:L:V",0.480257130287143,0.677247786834333,1.1538493489906,0.416221693678881,0.0799389646162787,12.6318165284426,0.208571528713835,0.527693668101443,0.277618116975238,0.0307788891197694,20.1401594005,0.999999999999395,"lineage2","dr_mutations_pyrazinamide","ILE",0,"ERR2516249","ERR2516249","lineage2.2.1","be","Belgium","pnca_p.met175ile","A","H","MET","MA175","pnca_complex.pdb"
|
||||
"M175K","L4","PZA","M","M175",175,"K",1,"MDR","DM","hydrophobic","hydrophobic","non-polar","basic","non-polar","pos",11.016,-0.207,-1.311,2.59826,-4.252,-0.95,78,85,-0.521,7,7,0,0,"helix",-2.03333333333333,6.81,7.18700589334483e-05,9.70142977291842,188179.926264637,Inf,0.763784339928386,-16,-36,0,0,-36,0,0,0,0,-2,0,-2,0,0,0,0,0,-5,0,-4,-1,-2,0,2,-2,-0.0524316109422492,-0.338759689922481,0.0946342849234042,-0.724978687127025,-0.24869109947644,0.821052631578947,-0.429159802306425,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","120/150","F:M:I:W:C:L:V",12.1451538387265,0.919026337424235,119.468044436234,0.101660271548255,5.01153666062558e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","LYS",0,"ERR040122","ERR040122","lineage4.8","ug","Uganda","pnca_p.met175lys","A","H","MET","MA175","pnca_complex.pdb"
|
||||
"M175R","L4","PZA","M","M175",175,"R",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","basic","non-polar","pos",11.016,-0.698,-1.175,2.37207,-3.407,-0.8,74,85,-0.521,7,7,0,0,"helix",-2.03333333333333,6.81,7.18700589334483e-05,9.70142977291842,188179.92626466,Inf,0.763784339928386,-36,-40,0,-2,-38,0,0,0,0,-2,0,-2,0,0,0,0,0,-9,0,-4,-5,-4,0,-6,0,-0.176798378926039,-0.303617571059431,0.0863959527677212,-0.580903665814152,-0.209424083769634,0.778947368421053,-0.429159802306425,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","120/150","F:M:I:W:C:L:V",12.1451538387266,0.919026337424239,119.46804443624,0.10166027154825,5.01153666061918e-06,NA,0.986835744238421,0.170978870202674,0.767057556984365,0.124324963210678,Inf,0.382146811758261,"lineage4","dr_mutations_pyrazinamide","ARG",0,"SAMN02628523","SRR1172252_SRR1180184_SRR1183085_SRR1172151","lineage4.8","ir","Iran","pnca_p.met175arg","A","H","MET","MA175","pnca_complex.pdb"
|
||||
"M175T","L1","PZA","M","M175",175,"T",NA,"Pre-MDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","polar",11.016,0.116,-2.131,2.83612,-3.057,-1.73,72,85,-0.521,7,7,0,0,"helix",-2.03333333333333,6.81,0.0002156101768003,29.1287878787879,511969.848428383,Inf,9.2872640727157,24,0,0,0,0,0,0,0,0,-2,0,-2,0,0,0,0,0,-4,0,-4,0,10,0,10,8,0.0520179372197309,-0.550645994832041,0.103297663881584,-0.521227621483376,-0.452879581151832,0.757894736842105,-0.429159802306425,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","120/150","F:M:I:W:C:L:V",13.1460210124993,0.907969111549572,113.719344731884,0.115600569485285,0.183926936278602,NA,1.4643224129316,0.0049931328456149,2.3016268790981,2.00455510251839,Inf,0.0023075254069185,"lineage1","dr_mutations_pyrazinamide","THR",0,"ERR1213948","ERR1213948","lineage1.2.2","bd","Bangladesh","pnca_p.met175thr","A","H","MET","MA175","pnca_complex.pdb"
|
||||
"M175V","L4","PZA","M","M175",175,"V",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",11.016,-1.081,-1.251,2.746,-2.087,-1.13,52,75,-0.521,7,7,0,0,"helix",-2.03333333333333,6.81,0.0007187005893344,11.3440134907251,11.3439859738742,11.3408060961982,16.1999449415698,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-4,0,8,0,8,8,-0.273809523809524,-0.323255813953488,0.100015297314229,-0.355839727195226,-0.295811518324607,0.547368421052632,-0.429159802306425,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","120/150","F:M:I:W:C:L:V",2.42868773335338,0.0004314327258942,0.689954362035746,3.52007011911253,3.15129211999938,52.6672541515188,1.05476673431854,0.000313793551117,3.50335598599778,2.58674701617199,67.9086927550226,5.69957727561539e-05,"lineage4","dr_mutations_pyrazinamide","VAL",0,"ERR2707135","ERR2707135","lineage4.3.3","cd","Democratic Republic of Congo","pnca_p.met175val","A","H","MET","MA175","pnca_complex.pdb"
|
||||
"R176C","L4","PZA","R","R176",176,"C",NA,"Sensitive","OM","hydrophilic","hydrophobic","basic","neutral","pos","non-polar",17.132,-0.881,-0.417,1.53676,-0.701,0.75,55,75,1.185,1,1,188,0.686131386861314,"helix",-1.1,3.67,NA,NA,NA,NA,NA,32,22,0,0,22,0,0,0,0,0,0,2,0,0,0,0,0,0,0,-3,3,2,0,2,4,-0.223150962512665,-0.107751937984496,0.0559721443192331,-0.119522591645354,0.421348314606741,0.578947368421053,0.379807692307692,"Destabilising","Destabilising","Destabilising","Destabilising","Stabilising","effect",0.59,1.183,"3:1","116/150","S:M:A:G:T:D:E:Q:N:L:V:K:I:R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","CYS",0,"ERR1193718","ERR1193718","lineage4.3","id","Indonesia","pnca_p.arg176cys","A","H","ARG","RA176","pnca_complex.pdb"
|
||||
"T177P","L3","PZA","T","T177",177,"P",0,"MDR","OM","hydrophobic","hydrophilic","neutral","non-polar","polar","non-polar",19.207,-0.36,-0.045,0.790967,-0.444,-0.19,21,63,1.87,1,1,126,0.732558139534884,"helix",-1.13333333333333,3.45,0.0002874802357337,4.85191417753471,4.85191414039982,4.85118443551178,1.17497090855698,0,13,0,-2,15,0,0,0,0,2,2,2,0,0,0,0,0,4,4,-1,0,-2,0,-4,-2,-0.0911854103343465,-0.0116279069767441,0.0288087398655293,-0.0757033248081841,-0.0497382198952879,0.221052631578947,0.599358974358974,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",1.183,1.712,"1:1","114/150","N:L:R:K:H:E:Q:D:T:S:M:G:A",1.57937329521209,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091312676,40.456291107532,0.685913110299906,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,0.278382201819561,"lineage3","other_mutations_pyrazinamide","PRO",0,"ERR2510450","ERR2510450","lineage3","pk","Pakistan","pnca_p.thr177pro","A","H","THR","TA177","pnca_complex.pdb"
|
||||
"A178P","L4","PZA","A","A178",178,"P",NA,"MDR","OM","hydrophobic","hydrophilic","non-polar","non-polar","non-polar","non-polar",17.128,-0.05,-0.485,2.01949,-1.803,-0.09,60,80,-0.496,7,7,32,0.248062015503876,"loop",0.1,3.71,NA,NA,NA,NA,NA,0,-2,0,0,-2,0,0,0,0,2,2,2,0,0,0,0,0,-6,2,-8,-2,0,0,-2,-5,-0.0126646403242147,-0.125322997416021,0.0735542216945053,-0.307416879795396,-0.0235602094240837,0.631578947368421,-0.408566721581549,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","110/150","G:M:A:S:C:K:V:Q:H:E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","PRO",0,"ERR1213826","ERR1213826","lineage4.3.4.2.1","rw","Rwanda","pnca_p.ala178pro","A","T","ALA","AA178","pnca_complex.pdb"
|
||||
"S179I","L2","PZA","S","S179",179,"I",0,"Sensitive","OM","hydrophilic","hydrophobic","neutral","non-polar","polar","non-polar",19.449,-0.451,0.381,1.25588,0.395,-0.66,35,66,-0.876,8,8,87,0.561290322580645,"loop",1.73333333333333,3.5,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-8,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,2,-0.114235055724417,0.323979591836735,0.0457418833179146,0.333614864864865,-0.172774869109948,0.368421052631579,-0.72158154859967,"Destabilising","Stabilising","Destabilising","Stabilising","Destabilising","effect",-1.028,-0.779,"9:8","107/150","W:R:D:Q:S:G",-8.98740878149641,0.940032862253634,119.468044435492,-0.0752285585987746,NA,4692673.510814,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage2","other_mutations_pyrazinamide","ILE",0,"ERR2514301","ERR2514301","lineage2.2.1","gb","UK","pnca_p.ser179ile","A","T","SER","SA179","pnca_complex.pdb"
|
||||
"V180A","L2","PZA","V","V180",180,"A",1,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.436,-1.661,-2.048,2.8049,-2.408,-1.98,-8,53,-0.509,7,7,6,0.0344827586206896,"loop",-0.0333333333333332,5.26,0.0001437401178668,19.411022297013,511754.463552312,Inf,4.73122070382274,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-2,0,-4,0,2,0,2,5,-0.420719351570415,-0.529198966408269,0.102160563523918,-0.410571184995737,-0.518324607329843,-0.0860215053763441,-0.419275123558484,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","neutral",-0.674,-0.411,"7:7","102/150","I:L:V:S:A:G",13.14560022562,0.92480376844698,139.277183326525,0.094384449136949,0.0001628371344461,NA,1.28804840845689,0.0292235860951597,1.53426649183163,0.91081598550184,Inf,0.0296198560706035,"lineage2","other_mutations_pyrazinamide","ALA",0,"ERR552136","ERR552136","lineage2.2.1","ru","Russia","pnca_p.val180ala","A","-","VAL","VA180","pnca_complex.pdb"
|
||||
"V180F","L1","PZA","V","V180",180,"F",NA,"MDR","DM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.436,-1.073,-1.808,10.5926,-3.033,-1.23,57,75,-0.509,7,7,6,0.0344827586206896,"loop",-0.0333333333333332,5.26,0.0005749604714675,14.5802781289507,14.5802277940117,14.5801759034061,15.0663448164144,-22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-10,0,-6,-8,-12,0,-12,-4,-0.271783181357649,-0.4671834625323,0.385805549282847,-0.517135549872123,-0.321989528795811,0.6,-0.419275123558484,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","102/150","I:L:V:S:A:G",2.6796663501904,0.0010245352377103,0.816050632122415,3.28370108999367,3.35697961122208,99.5538692592325,1.16376580853041,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,0.0001037975122989,"lineage1","dr_mutations_pyrazinamide","PHE",0,"SRR8380946","SRR8380946","lineage1.1.2","in","India","pnca_p.val180phe","A","-","VAL","VA180","pnca_complex.pdb"
|
||||
"V180G","L2","PZA","V","V180",180,"G",1,"XDR","DM","hydrophobic","hydrophobic","non-polar","neutral","non-polar","non-polar",15.436,-1.577,-2.785,4.93179,-3.447,-2.32,61,80,-0.509,7,7,6,0.0344827586206896,"loop",-0.0333333333333332,5.26,0.0007905706482679,107.166385135135,3795803.48339175,Inf,47.6847963834956,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-4,0,-6,0,6,0,13,23,-0.399442755825735,-0.719638242894057,0.17962652699976,-0.58772378516624,-0.607329842931937,0.642105263157895,-0.419275123558484,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","102/150","I:L:V:S:A:G",15.1494066679809,0.92523341791644,161.432542879438,0.0938435732830823,24.1993753459118,NA,2.03005858162844,3.58120158191569e-09,8.44597123233921,12.2081619622864,Inf,5.00558510128865e-12,"lineage2","dr_mutations_pyrazinamide","GLY",0,"ERR229982,2395E-sc-2012-10-11T13:40:00Z-1494301","ERR229982","lineage2.2.1","ru","Russia,Samara","pnca_p.val180gly","A","-","VAL","VA180","pnca_complex.pdb"
|
||||
"V180L","L2","PZA","V","V180",180,"L",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.436,-1.664,-0.877,-0.0108685,-2.269,-0.8,56,75,-0.509,7,7,6,0.0344827586206896,"loop",-0.0333333333333332,5.26,NA,NA,NA,NA,NA,-16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-9,0,-2,-9,-10,0,-10,-2,-0.421479229989868,-0.226614987080103,-0.00208961393524571,-0.386871270247229,-0.209424083769634,0.589473684210526,-0.419275123558484,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","effect",-0.674,-0.411,"7:7","102/150","I:L:V:S:A:G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage2","other_mutations_pyrazinamide","LEU",0,"1362G-sc-2012-02-21T11:36:33Z-1364711,ERR137219","ERR137219","lineage2.2.1","ru","Russia","pnca_p.val180leu","A","-","VAL","VA180","pnca_complex.pdb"
|
||||
"L182F","L4","PZA","L","L182",182,"F",NA,"Pre-XDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.184,-0.294,-1.168,4.99445,-0.804,-1,47,71,0.281,4,4,50,0.248756218905473,"strand",1.5,4.17,7.18700589334483e-05,2.42412778478352,0.0001249735077034,0,1.03410070803344e-29,-6,-2,0,0,-2,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,2,0,4,0,-0.0744680851063829,-0.301808785529716,0.181908740593973,-0.137084398976982,-0.261780104712042,0.494736842105263,0.0900641025641026,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","87/150","F:Q:L:V:R:I",-8.98740878149642,0.940032862253634,119.468044435493,-0.0752285585987741,NA,4692673.5108132,0.384555509373631,1,0,0,188.544222231268,0.999999999999997,"lineage4","other_mutations_pyrazinamide","PHE",0,"ERR2510225","ERR2510225","lineage4.3.4.2","pe","Peru","pnca_p.leu182phe","A","E","LEU","LA182","pnca_complex.pdb"
|
||||
"L182S","L2","PZA","L","L182",182,"S",NA,"Pre-XDR","DM","hydrophobic","hydrophilic","non-polar","neutral","non-polar","polar",15.184,0.38,-2.349,5.37676,-1.864,-1.98,71,85,0.281,4,4,50,0.248756218905473,"strand",1.5,4.17,0.0007187005893344,4.85678180286436,4.85678176777767,4.85605251831648,5.49640065724654,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,4,0,4,2,0.170403587443946,-0.606976744186047,0.195833302981519,-0.317817561807332,-0.518324607329843,0.747368421052632,0.0900641025641026,"Stabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","87/150","F:Q:L:V:R:I",1.58037603086922,0.0125175169650379,0.632856943325042,2.49720896252777,1.34977418228528,17.4757677148671,0.686348592676127,0.0171758041796076,1.76508291991092,1.11658950345066,21.1173440246382,0.0190556572462216,"lineage2","dr_mutations_pyrazinamide","SER",0,"ERR2516229","ERR2516229","lineage2.2.1","be","Belgium","pnca_p.leu182ser","A","E","LEU","LA182","pnca_complex.pdb"
|
||||
"L182W","L4","PZA","L","L182",182,"W",NA,"MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",15.184,-0.228,-1.318,4.86413,-1.198,-1.15,75,85,0.281,4,4,50,0.248756218905473,"strand",1.5,4.17,NA,NA,NA,NA,NA,-20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-1,0,-1,0,4,0,4,2,-0.0577507598784194,-0.340568475452196,0.177162202521872,-0.204262574595055,-0.301047120418848,0.789473684210526,0.0900641025641026,"Destabilising","Destabilising","Destabilising","Destabilising","Destabilising","effect",-0.038,0.389,"5:4","87/150","F:Q:L:V:R:I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lineage4","other_mutations_pyrazinamide","TRP",0,"ERR1034735","ERR1034735","lineage4.3.3","pe","Peru","pnca_p.leu182trp","A","E","LEU","LA182","pnca_complex.pdb"
|
||||
"V183L","L2","PZA","V","V183",183,"L",NA,"Pre-MDR","OM","hydrophobic","hydrophobic","non-polar","non-polar","non-polar","non-polar",17.921,-0.108,-0.423,-0.102908,-0.776,-0.67,-6,53,0.4,4,4,34,0.195402298850575,"strand",3.5,4.1,0.0001437401178668,1.2119588062211,4.59700131334244e-05,0,1.01056822389159e-25,-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,-3,0,-1,-2,-2,0,0,-4,-0.0273556231003039,-0.109302325581395,-0.0197854341305852,-0.13231031543052,-0.175392670157068,-0.0645161290322581,0.128205128205128,"Destabilising","Destabilising","Stabilising","Destabilising","Destabilising","neutral",0.083,0.59,"5:3","59/150","L:V:I:R:C:T:A:G",-9.98752126245063,0.942832958100734,139.277183325399,-0.0717096729269459,NA,144471.706314865,0.0834878586628579,1,0,0,25.8386585962163,0.999999999999746,"lineage2","other_mutations_pyrazinamide","LEU",0,"ERR751934","ERR751934","lineage2.2.1","th","Thailand","pnca_p.val183leu","A","E","VAL","VA183","pnca_complex.pdb"
|
||||
|
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