added my data ML test
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57 changed files with 40473 additions and 4 deletions
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JR_day1_background/jrpyml
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38876
JR_day1_background/jrpyml
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JR_day1_background/lidoML-visulaisation.ipynb
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JR_day1_background/lidoML-visulaisation.ipynb
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{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": []
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}
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 3",
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"language": "python",
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"name": "python3"
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},
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"language_info": {
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"codemirror_mode": {
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"name": "ipython",
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"version": 3
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},
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"file_extension": ".py",
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"mimetype": "text/x-python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.7.3"
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}
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},
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"nbformat": 4,
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"nbformat_minor": 2
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}
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@ -6,3 +6,13 @@ jrtf.__file__
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'/home/tanu/anaconda3/envs/lidoML2/lib/python3.6/site-packages/jrpytensorflow/vignettes'
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cd into the path
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access files as necessary
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#===============
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# useful links
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#===============
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bookdown.org/jamie/python_visualisation
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# useful nature series of articles
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https://www.nature.com/collections/qghhqm/pointsofsignificance
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BIN
machine_learning_with_python_tutorial.pdf
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machine_learning_with_python_tutorial.pdf
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194
my_datap1.py
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my_datap1.py
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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 24 10:48:10 2022
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@author: tanu
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"""
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###############################################################################
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# questions:
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# which data to use: merged_df3 or merged_df2
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# which is the target? or_mychisq or drtype col
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# scaling: can it be from -1 to 1?
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# strategy:
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# available data = X_train
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# available data but NAN = validation_test
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# test data: mut generated not in mcsm
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###############################################################################
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import os, sys
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import re
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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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#%% read data
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homedir = os.path.expanduser("~")
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os.chdir(homedir + "/git/ML_AI_training/test_data")
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# this needs to be merged_df2 or merged_df3?
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my_df = pd.read_csv("pnca_all_params.csv")
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my_df.dtypes
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my_df_cols = my_df.columns
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omit_cols1 = ['pdb_file'
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, 'seq_offset4pdb'
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, 'mut_3upper'
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, 'wild_pos'
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, 'wild_chain_pos'
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, 'chain'
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, 'wt_3upper'
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, 'consurf_colour'
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, 'consurf_colour_rev'
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, 'consurf_msa_data'
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, 'consurf_aa_variety'
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, 'snap2_accuracy_pc'
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, 'beta_logistic'
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, 'se_logistic'
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, 'zval_logisitc'
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, 'pval_chisq'
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, 'log10_or_mychisq'
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, 'neglog_pval_fisher'
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, 'wild_type'
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, 'mutant_type'
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, 'position'
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, 'ligand_id'
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, 'mutation'
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, 'ss'
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, 'ss_class' # include it later?
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]
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omit_cols2 = list(my_df.columns[my_df.columns.str.contains(".*ci_.*") | my_df.columns.str.contains(".*_scaled*") | my_df.columns.str.contains(".*_outcome*")])
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# [WATCH:] just to test since these have negative values!
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omit_cols3 = list(my_df.columns[my_df.columns.str.contains("electro_.*") | my_df.columns.str.contains("disulfide_.*") | my_df.columns.str.contains("hbonds_.*") | my_df.columns.str.contains("partcov_.*") | my_df.columns.str.contains("vdwclashes.*") | my_df.columns.str.contains("volumetric.*")])
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omit_cols = omit_cols1 + omit_cols2 + omit_cols3
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my_df_filt = my_df.loc[:, ~my_df.columns.isin(omit_cols)]
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my_df_filt_cols = my_df_filt.columns
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foo = my_df_filt['or_mychisq'].value_counts()
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foo = foo.to_frame()
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########################
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# [WATCH]: Drop na
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my_df2 = my_df_filt.dropna()
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my_df2['resistance'] = my_df2['or_mychisq'].apply(lambda x: 0 if x <=1 else 1)
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my_df2['resistance'].value_counts()
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y = my_df2['resistance']
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#==============================================================================
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omit_cols_y = ['or_mychisq', 'resistance']
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my_df_ml = my_df2.loc[:, ~my_df2.columns.isin(omit_cols_y)]
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#%%############################################################################
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X_train = my_df_ml.set_index('mutationinformation')
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X_train = X_train.iloc[:,:4]
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y_train = y
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#X_train = X_train.dropna()
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#y_train = y.dropna()
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# check dim
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X_train.shape
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y_train.shape
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#%%=====================================================
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grid = sns.PairGrid(data = pd.concat([X_train
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, pd.Series(y_train , name = "resistance")]
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, 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 = linear_model.LinearRegression()
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model.fit(X_train, y_train)
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###################
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# test set
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X_test = my_df[my_df['or_mychisq'].isnull()]
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#X_test =[ X_test.iloc[:,:4]]
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# HARD part?
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# what should be the test set?
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X_test = [23.9, 0.69, -0.16, 0.59
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, 5, 0.5, 0.4, -1
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, 0.1, 1, 1, 1]
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X_test_re = np.array(X_test).reshape(3, -1)
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####################
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fitted = model.predict(X_train)
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model.coef_
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model.predict(X_test_re)
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resid = y_train - fitted
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resid
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#####################
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from sklearn import preprocessing
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scaler = preprocessing.MinMaxScaler()
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scaler.fit(X_train)
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#We can then create a scaled training set
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X_train_scaled = scaler.transform(X_train)
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new_scaled = scaler.transform(X_test_re)
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model.predict(new_scaled)
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#########
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from sklearn.pipeline import Pipeline
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from sklearn.linear_model import LogisticRegression
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# model_pipe = Pipeline(steps = [('preprocess', preprocessing.MinMaxScaler())
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# ,('regression', linear_model.LinearRegression())
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# ])
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model_pipe = Pipeline(steps = [('preprocess', preprocessing.MinMaxScaler())
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,('logis', LogisticRegression(class_weight = 'balanced'))
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])
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model_pipe.fit(X_train,y_train)
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fitted_vals = model_pipe.predict(X_train)
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# gives the array of predictions
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model_pipe.predict(X_test_re)
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# for Linear Reg only
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# resid = y_train - fitted_vals
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# resid
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from sklearn.metrics import accuracy_score, precision_score, recall_score
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y_pred = model_pipe.predict(X_train)
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accuracy_score(y_train,y_pred)
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precision_score(y_train,y_pred,pos_label=1)# tp/(tp + fp)
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recall_score(y_train,y_pred,pos_label=1) # tp/(tp + fn)
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########
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# WORKS!
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from sklearn.model_selection import cross_validate
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from sklearn.metrics import make_scorer
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import pandas as pd
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acc = make_scorer(accuracy_score)
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def precision(y_true,y_pred):
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return precision_score(y_true,y_pred,pos_label = 1) #0
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def recall(y_true,y_pred):
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return recall_score(y_true, y_pred, pos_label = 1) #0
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prec = make_scorer(precision)
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rec = make_scorer(recall)
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output = cross_validate(model_pipe
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, X_train
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, y_train
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, scoring = {'acc' : acc
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,'prec' : prec
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,'rec' : rec}
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, cv = 10, return_train_score = False)
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pd.DataFrame(output).mean()
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0.65527950310559
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0.9853658536585366
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0.6516129032258065
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1
other examples/Titanic-dataset
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1
other examples/Titanic-dataset
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Subproject commit bc3d9a74a78a16a905d4d45bed791101ac281a73
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109
other examples/eg1.py
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other examples/eg1.py
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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 Wed Feb 16 11:56:57 2022
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@author: tanu
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"""
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# source
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#https://machinelearningmastery.com/automate-machine-learning-workflows-pipelines-python-scikit-learn/
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###############################################
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# Pipeline 1: Data Preparation and Modeling
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###############################################
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# Create a pipeline that standardizes the data then creates a model
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from pandas import read_csv
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from sklearn.model_selection import KFold
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from sklearn.model_selection import cross_val_score
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from sklearn.preprocessing import StandardScaler
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from sklearn.pipeline import Pipeline
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from sklearn.discriminant_analysis import LinearDiscriminantAnalysis
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# load data
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url = "https://raw.githubusercontent.com/jbrownlee/Datasets/master/pima-indians-diabetes.data.csv"
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names = ['preg', 'plas', 'pres', 'skin', 'test', 'mass', 'pedi', 'age', 'class']
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dataframe = read_csv(url, names=names)
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array = dataframe.values
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X = array[:,0:8]
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Y = array[:,8]
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# create pipeline
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estimators = []
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estimators.append(('standardize', StandardScaler()))
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estimators.append(('lda', LinearDiscriminantAnalysis()))
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model = Pipeline(estimators)
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# evaluate pipeline
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seed = 7
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#kfold = KFold(n_splits=10, random_state=seed)
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kfold = KFold(n_splits=10, random_state=None)
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results = cross_val_score(model, X, Y, cv=kfold)
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print(results.mean())
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###############################################
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# Pipeline 2: Feature Extraction and Modeling
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###############################################
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# Create a pipeline that extracts features from the data then creates a model
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from sklearn.pipeline import FeatureUnion
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from sklearn.linear_model import LogisticRegression
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from sklearn.decomposition import PCA
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from sklearn.feature_selection import SelectKBest
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# load data
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url = "https://raw.githubusercontent.com/jbrownlee/Datasets/master/pima-indians-diabetes.data.csv"
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names = ['preg', 'plas', 'pres', 'skin', 'test', 'mass', 'pedi', 'age', 'class']
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dataframe = read_csv(url, names=names)
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array = dataframe.values
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X = array[:,0:8]
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Y = array[:,8]
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# create feature union
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features = []
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features.append(('pca', PCA(n_components=3)))
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features.append(('select_best', SelectKBest(k=6)))
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feature_union = FeatureUnion(features)
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# create pipeline
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estimators = []
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estimators.append(('feature_union', feature_union))
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estimators.append(('logistic', LogisticRegression()))
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model = Pipeline(estimators)
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# evaluate pipeline
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seed = 7
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kfold = KFold(n_splits=10, random_state=seed)
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results = cross_val_score(model, X, Y, cv=kfold)
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print(results.mean())
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#%%############################################################################
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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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# import some data within sklearn for iris classification
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iris = datasets.load_iris()
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X = iris.data
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y = iris.target
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# Splitting data into train and testing part
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# The 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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# importing pipes for making the Pipe flow
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from sklearn.pipeline import Pipeline
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# pipe flow is :
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# PCA(Dimension reduction to two) -> Scaling the data -> DecisionTreeClassification
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pipe = 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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# fitting the data in the pipe
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pipe.fit(X_train, y_train)
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# scoring data
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from sklearn.metrics import accuracy_score
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print(accuracy_score(y_test, pipe.predict(X_test)))
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375
p_jr_d1.py
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p_jr_d1.py
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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]
|
||||
ax = plt.subplot(3, 1, i + 1)
|
||||
ax.scatter(xvar, resid)
|
||||
ax.set_xlabel(boston.feature_names[i])
|
||||
ax.set_ylabel("Residuals")
|
||||
ax.hlines([-2, 0, 2], np.min(xvar), np.max(xvar))
|
||||
|
||||
plt.show()
|
||||
plt.figure()
|
||||
ax = plt.subplot(3, 1, 1)
|
||||
ax.scatter(fitted,resid)
|
||||
ax.set_xlabel('Fitted values')
|
||||
ax.set_ylabel('Residuals')
|
||||
|
||||
ax = plt.subplot(3,1,2)
|
||||
ax.scatter(fitted,y_train)
|
||||
ax.set_xlabel('Fitted values')
|
||||
ax.set_ylabel('Predicted values')
|
||||
|
||||
ax = plt.subplot(3, 1,3)
|
||||
import scipy.stats as stats
|
||||
stats.probplot(resid,dist = 'norm',plot = ax)
|
||||
plt.show()
|
||||
|
||||
#Scaling data: many types available
|
||||
# sklearn comes with many preprocessing transformations in the sklearn.preprocessing module
|
||||
#Scaling is crucial for many statistical and machine learning algorithms
|
||||
# • k-means and hierarchical clustering
|
||||
# – Data units & variance play crucial role in cluster selection
|
||||
# • Using gradient descent optimization
|
||||
# – Scaled data allows the weights to update at an equal speed
|
||||
# • Scaled data allows the regression coefficients to be compared
|
||||
|
||||
#########################################################
|
||||
# Min-max scaling
|
||||
# DOESN'T change the shape
|
||||
# DOES change the bounds, mean and sd
|
||||
# NOT often used in LR
|
||||
# used more in GDO (gradient Descent Optimisation)
|
||||
|
||||
# sklearn.preprocessing module has a MinMaxScaler() for this
|
||||
##########################################################
|
||||
|
||||
np.random.seed(1)
|
||||
x_n = np.random.normal(2, 5, 500)
|
||||
x_t = np.random.standard_t(2, 500)
|
||||
x_ln = np.random.lognormal(1, 1, 500)
|
||||
df = pd.DataFrame({ 'Normal': x_n, 'T': x_t, 'Lognormal': x_ln
|
||||
})
|
||||
|
||||
df_long = df.melt(var_name='Distribution')
|
||||
g = sns.FacetGrid(df_long, col='Distribution',sharex=False)
|
||||
g.map(plt.hist, 'value', bins = 50)
|
||||
plt.show()
|
||||
|
||||
def min_max(x):
|
||||
min = np.min(x)
|
||||
s = (x - min)/(np.max(x) - min)
|
||||
return (s)
|
||||
|
||||
scaled = df.apply(min_max).melt(var_name='Distribution')
|
||||
|
||||
scaled['Scaled'] = True
|
||||
df_long['Scaled'] = False
|
||||
full_data = pd.concat([df_long, scaled], axis=0)
|
||||
|
||||
g = sns.FacetGrid(full_data, col='Distribution'
|
||||
,row='Scaled'
|
||||
, sharex=False
|
||||
, sharey=False)
|
||||
|
||||
g.map(plt.hist, 'value', bins = 50)
|
||||
|
||||
plt.show()
|
||||
|
||||
df.apply([np.mean,np.std])
|
||||
df.apply(min_max).apply([np.mean,np.std])
|
||||
|
||||
# sklearn: MinMaxScaler()
|
||||
|
||||
scaler = preprocessing.MinMaxScaler()
|
||||
scaler.fit(X_train)
|
||||
|
||||
X_train_scaled = scaler.transform(X_train)
|
||||
X_train_scaled[:1]
|
||||
|
||||
##########################################################
|
||||
# z-score standardisation
|
||||
# DOESN'T change the shape
|
||||
# popular in linear models
|
||||
# DOESN'T effect the predictions
|
||||
# but makes the size of the coeffs directly comparable
|
||||
|
||||
# sklearn.preprocessing module has a StandardScaler() for this
|
||||
##########################################################
|
||||
|
||||
def z_score(x):
|
||||
mean = np.mean(x)
|
||||
std = np.std(x, ddof=1)
|
||||
return (x - mean)/std
|
||||
|
||||
scaled = df.apply(z_score).melt(var_name='Distribution')
|
||||
scaled['Scaled'] = True
|
||||
full_data = pd.concat([df_long, scaled], axis=0)
|
||||
g = sns.FacetGrid(full_data, col='Distribution'
|
||||
, row ='Scaled'
|
||||
, sharex=False
|
||||
,sharey=False)
|
||||
g.map(plt.hist, 'value', bins=50)
|
||||
|
||||
###############################################
|
||||
# Dividing by two standard deviations
|
||||
# http://www.stat.columbia.edu/
|
||||
# ~gelman/research/published/ standardizing7.pdf
|
||||
# One of the downsides of scaling data by z-scoring is that is not obvious
|
||||
# how this should be handled in the case of categorical variables.
|
||||
|
||||
# suggest the use of a rescaling that divides numeric vari-
|
||||
# ables by two standard deviations, whilst leaving binary encoded categorical
|
||||
# variables untransformed.
|
||||
# nothing in sklearn for this
|
||||
###############################################
|
||||
from sklearn.base import BaseEstimator, TransformerMixin
|
||||
class two_sd_scaler(BaseEstimator, TransformerMixin):
|
||||
def fit(self, X, y=None):
|
||||
self.stds = 2*np.std(X, axis=0, ddof=1)
|
||||
return self
|
||||
def transform(self, X, y=None):
|
||||
return X/self.stds
|
||||
|
||||
# Having preprocessed the data this way we can not fit a model to it in the
|
||||
# same way as before.
|
||||
model2 = linear_model.LinearRegression()
|
||||
model2.fit(X_train_scaled, y_train)
|
||||
#When making predictions on new values we also need to make sure to pass
|
||||
#the new values through the same preprocessing step.
|
||||
|
||||
new_value = np.array(X_train.mean(), ndmin = 2)
|
||||
new_scaled = scaler.transform(new_value)
|
||||
pred = model2.predict(new_scaled)
|
||||
pred
|
||||
|
||||
##########################
|
||||
# 2.5 Creating a pipeline
|
||||
##########################
|
||||
# For any training data set and any data for prediction we will want to apply
|
||||
# the same scaling transformation and use the same model. We could create
|
||||
# a sklearn.pipeline.Pipeline() to organise the steps to creating the
|
||||
# estimator
|
||||
|
||||
from sklearn.pipeline import Pipeline
|
||||
model = Pipeline(steps = [('preprocess', preprocessing.StandardScaler())
|
||||
,('regression', linear_model.LinearRegression())
|
||||
])
|
||||
|
||||
# Having created the Pipeline object we can now fit as before. Calling
|
||||
# .fit() now however, will first fit the 'preprocess' step and then the
|
||||
# 'regression' step. When we predict, the new values will also pass through
|
||||
# both stages of our pipeline.
|
||||
model.fit(X_train,y_train)
|
||||
new_values = np.array(X_train.mean(), ndmin = 2)
|
||||
model.predict(new_values)
|
||||
#from sklearn.metrics import accuracy_score
|
||||
#print(accuracy_score(y_test, model.predict(X_test)))
|
||||
|
||||
#2.6 Preprocessing categorical variables
|
||||
# One hot encoding: will take a categorical feature with K categories and
|
||||
# create a ‘one of K ’ encoding scheme. I.e a set of binary variables for each
|
||||
# category. Consider the toy data
|
||||
|
||||
toy = pd.DataFrame({
|
||||
'category':['a', 'a', 'b', 'c', 'b']
|
||||
})
|
||||
enc = preprocessing.OneHotEncoder()
|
||||
enc.fit(toy)
|
||||
enc.transform(toy).toarray()
|
||||
|
||||
#Combining preprocessing steps:
|
||||
# the preprocessing steps into a single operation
|
||||
# for our Pipeline using a sklearn.compose.ColumnTransformer
|
||||
toy = pd.DataFrame({
|
||||
'numeric': [1., 2., 3., 4., 5.],
|
||||
'category': ['a', 'a', 'b', 'c', 'b']
|
||||
})
|
||||
|
||||
from sklearn.compose import ColumnTransformer
|
||||
from sklearn.preprocessing import StandardScaler, OneHotEncoder
|
||||
numeric_features = ['numeric']
|
||||
categorical_features = ['category']
|
||||
preprocessor = ColumnTransformer(transformers=[('num', StandardScaler()
|
||||
, numeric_features)
|
||||
,('cat', OneHotEncoder(), categorical_features)])
|
||||
|
||||
preprocessor.fit(toy)
|
||||
preprocessor.transform(toy)
|
||||
|
||||
# This preprocessing step could then be a step in the pipeline for a regres-
|
||||
# sion
|
||||
model = Pipeline(steps = [('preprocess', preprocessor)
|
||||
,('regression', linear_model.LinearRegression())])
|
||||
|
||||
# fit the preprocessor pipeline to the data
|
||||
preprocessor.fit(toy)
|
||||
|
||||
# transformer will now give the appropriate pre-processing for different types of variables.
|
||||
preprocessor.transform(toy)
|
||||
|
||||
#This preprocessing step could then be a step in the pipeline for a regression
|
||||
model = Pipeline(steps = [('preprocess', preprocessor)
|
||||
,('regression', linear_model.LinearRegression())])
|
||||
|
||||
#Model Assessment and Feature Selection
|
||||
|
||||
#%%#####################################################################
|
||||
|
||||
# Accuracy score is only for classification problems.
|
||||
# For regression problems you can use: R2 Score, MSE (Mean Squared Error), RMSE (Root Mean Squared Error).
|
||||
from sklearn import datasets
|
||||
from sklearn.model_selection import train_test_split
|
||||
from sklearn.preprocessing import StandardScaler
|
||||
from sklearn.decomposition import PCA
|
||||
from sklearn.tree import DecisionTreeClassifier
|
||||
from sklearn.ensemble import RandomForestClassifier
|
||||
from sklearn.pipeline import Pipeline
|
||||
from sklearn import preprocessing
|
||||
|
||||
# read data
|
||||
iris = datasets.load_iris()
|
||||
|
||||
# assign X and y
|
||||
X = iris.data
|
||||
y = iris.target
|
||||
|
||||
# split data into train and testing part (25 % of data is test size of the data)
|
||||
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size = 0.25)
|
||||
|
||||
# preprocess the data
|
||||
|
||||
# scaling
|
||||
scaler = preprocessing.MinMaxScaler()
|
||||
# fit X_train to scaling
|
||||
scaler.fit(X_train)
|
||||
# Apply the scaling/transforamtion to the dta
|
||||
X_train_scaled = scaler.transform(X_train)
|
||||
|
||||
# Choose the required model/s
|
||||
model2 = linear_model.LinearRegression() # Classification metrics can't handle a mix of multiclass and continuous targets
|
||||
model2 = DecisionTreeClassifier()
|
||||
|
||||
# fit the model to the data for predictions
|
||||
model2.fit(X_train_scaled, y_train)
|
||||
# check model performace
|
||||
print(accuracy_score(y_test, model2.predict(X_test)))
|
||||
|
||||
|
||||
#When making predictions on new values we also need to make sure to pass
|
||||
#the new values through the same preprocessing step.
|
||||
new_value = np.array(X_train.mean(), ndmin = 2)
|
||||
new_scaled = scaler.transform(new_value)
|
||||
pred = model2.predict(new_scaled)
|
||||
pred
|
||||
|
||||
# or Create a pipeline that standardizes the data then creates a model
|
||||
|
||||
# make a pipeline
|
||||
# PCA(Dimension reduction to two) -> Scaling the data -> DecisionTreeClassification
|
||||
pipe1 = Pipeline([('pca', PCA(n_components = 2))
|
||||
, ('std', StandardScaler())
|
||||
, ('decision_tree', DecisionTreeClassifier())]
|
||||
, verbose = True)
|
||||
|
||||
pipe2 = Pipeline(steps = [('preprocess', preprocessing.StandardScaler())
|
||||
#,('regression', linear_model.LinearRegression())
|
||||
,('rf', RandomForestClassifier())
|
||||
])
|
||||
|
||||
# fit pipeline to TRAINING data [X_train and y_train]
|
||||
pipe1.fit(X_train, y_train)
|
||||
pipe2.fit(X_train, y_train)
|
||||
|
||||
# model prediction on TEST data [X_test and y_test]
|
||||
print(accuracy_score(y_test, pipe1.predict(X_test)))
|
||||
print(accuracy_score(y_test, pipe2.predict(X_test)))
|
||||
print(pipe2.classification_report (y_test, np.argmax(predicted, axis = 1)))
|
||||
enc = preprocessing.OneHotEncoder()
|
||||
enc.fit(X_train)
|
||||
enc.transform(X_train).toarray()
|
||||
|
||||
7
p_jr_d2.py
Normal file
7
p_jr_d2.py
Normal file
|
|
@ -0,0 +1,7 @@
|
|||
#!/usr/bin/env python3
|
||||
# -*- coding: utf-8 -*-
|
||||
"""
|
||||
Created on Wed Feb 23 11:13:45 2022
|
||||
|
||||
@author: tanu
|
||||
"""
|
||||
69
practice_d1.py
Normal file
69
practice_d1.py
Normal file
|
|
@ -0,0 +1,69 @@
|
|||
#!/usr/bin/env python3
|
||||
# -*- coding: utf-8 -*-
|
||||
"""
|
||||
Created on Mon Feb 21 13:06:25 2022
|
||||
|
||||
@author: tanu
|
||||
"""
|
||||
X_train
|
||||
scaler = preprocessing.MinMaxScaler()
|
||||
scaler.fit(X_train)
|
||||
|
||||
x_train_scaled = scaler.transform(X_train)
|
||||
x_train_scaled
|
||||
|
||||
|
||||
foo = scaler.fit(X_train)
|
||||
|
||||
x_train_scaled2 = foo.transform(X_train)
|
||||
x_train_scaled2
|
||||
|
||||
(x_train_scaled == x_train_scaled2).all()
|
||||
|
||||
|
||||
toy = pd.DataFrame({
|
||||
'numeric': [1., 2., 3., 4., 5.],
|
||||
'category': ['a', 'a', 'b', 'c', 'b']
|
||||
})
|
||||
numeric_features = ['numeric']
|
||||
categorical_features = ['category']
|
||||
preprocessor = ColumnTransformer(transformers=[('num', StandardScaler(), numeric_features),
|
||||
('cat', OneHotEncoder(), categorical_features)
|
||||
])
|
||||
preprocessor.fit(toy)
|
||||
bar = preprocessor.transform(toy)
|
||||
bar
|
||||
#############
|
||||
toy2 = pd.DataFrame({
|
||||
'numeric': [1., 2., 3., 4., 5.],
|
||||
'numeric2': [1., 2., 3., 4., 6.],
|
||||
'category': ['a', 'a', 'b', 'c', 'b'],
|
||||
'category2': ['b', 'a', 'b', 'e', 'f']
|
||||
})
|
||||
numeric_features = ['numeric', 'numeric2']
|
||||
categorical_features = ['category', 'category2']
|
||||
preprocessor = ColumnTransformer(transformers=[
|
||||
('num', StandardScaler(), numeric_features),
|
||||
('cat', OneHotEncoder(), categorical_features)
|
||||
])
|
||||
|
||||
preprocessor.fit(toy2)
|
||||
bar2 = preprocessor.transform(toy2)
|
||||
bar2
|
||||
|
||||
####
|
||||
import pandas as pd
|
||||
from pandas import DataFrame
|
||||
import numpy as np
|
||||
|
||||
from sklearn.decomposition import PCA
|
||||
from pandas import DataFrame
|
||||
pca = PCA(n_components = 2)
|
||||
pca.fit(toy2.iloc[:, 0:2])
|
||||
|
||||
columns = ['pca_%i' % i for i in range(2)]
|
||||
df_pca = DataFrame(pca.transform(toy2.iloc[:, 0:2])
|
||||
, columns=columns
|
||||
, index=toy2.index)
|
||||
df_pca.head()
|
||||
|
||||
375
test_data/p_jr_d1.py
Normal file
375
test_data/p_jr_d1.py
Normal file
|
|
@ -0,0 +1,375 @@
|
|||
#!/usr/bin/env python3
|
||||
# -*- coding: utf-8 -*-
|
||||
"""
|
||||
Created on Thu Feb 17 14:52:55 2022
|
||||
|
||||
@author: tanu
|
||||
"""
|
||||
from sklearn.datasets import load_boston
|
||||
from sklearn import linear_model
|
||||
from sklearn import preprocessing
|
||||
import pandas as pd
|
||||
import seaborn as sns
|
||||
import matplotlib.pyplot as plt
|
||||
import numpy as np
|
||||
print(np.__version__)
|
||||
print(pd.__version__)
|
||||
|
||||
boston = load_boston()
|
||||
dir(boston)
|
||||
#['DESCR', 'data', 'data_module', 'feature_names', 'filename', 'target']
|
||||
X, y = boston.data, boston.target
|
||||
df = pd.DataFrame(X, columns = boston.feature_names)
|
||||
df['MEDV'] = y
|
||||
|
||||
sns.scatterplot(x = 'CRIM', y = 'MEDV', data = df)
|
||||
plt.show()
|
||||
|
||||
#Model fitting
|
||||
#To fit a model using just a single predictor we first extract the training variables.
|
||||
X_train = df['CRIM']
|
||||
y_train = y
|
||||
# Unfortunately, sklearn ’s various model fitting functions typically expect a
|
||||
# two dimensional array for the covariates. Since we have extracted only
|
||||
# a single feature here it is only one dimensional. We need to reshape the
|
||||
# X_train values to be the appropriate shape.
|
||||
# This is not necessary if using more than a single feature.
|
||||
|
||||
if len(X_train.values.shape) == 1:
|
||||
X_train = X_train.values.reshape(-1, 1)
|
||||
|
||||
# Create a LinearRegression object: This object is of a broader class of estima-
|
||||
#tor objects.
|
||||
model = linear_model.LinearRegression()
|
||||
model.fit(X_train, y_train)
|
||||
|
||||
# We can make predictions from our fitted model with the .predict() method.
|
||||
new_value = np.array(4.09, ndmin = 2)
|
||||
model.predict(new_value)
|
||||
multiple_values = np.array([1, 2, 3], ndmin = 2).T
|
||||
model.predict(multiple_values)
|
||||
|
||||
#Fitted values
|
||||
#Fitted values of a model typically describes the predicted ŷ for the obser-
|
||||
#vations X . To get the model fitted values we could just predict from the
|
||||
#model using the values used to train it.
|
||||
fitted = model.predict(X_train)
|
||||
ax = sns.scatterplot(x = 'CRIM', y = 'MEDV', data = df)
|
||||
sns.lineplot(df['CRIM'], fitted, ax = ax)
|
||||
plt.show()
|
||||
|
||||
# Interpreting the coefficients
|
||||
# The coefficients of the fitted model are kept in the model.coef_ attribute.
|
||||
# This gives us the expected change in y for a unit change in X .
|
||||
model.coef_
|
||||
|
||||
|
||||
#2.3 Multiple linear regression
|
||||
X_train = df.iloc[:,:3]
|
||||
grid = sns.PairGrid(data=pd.concat([X_train,pd.Series(y_train,name="MEDV")],axis = 1))
|
||||
grid.map_offdiag(sns.scatterplot)
|
||||
grid.map_diag(sns.distplot)
|
||||
plt.show()
|
||||
model.fit(X_train, y_train)
|
||||
new_values = np.array(X_train.mean(), ndmin = 2)
|
||||
model.predict(new_values)
|
||||
#Residuals
|
||||
#In classical statistics, one of our assump-
|
||||
#tions it that the residuals are normally dis-
|
||||
#tributed.Small RSS implies the fitted model is
|
||||
#closer to the observations.
|
||||
|
||||
fitted = model.predict(X_train)
|
||||
resid = y_train - fitted
|
||||
# Standardise to remove effect of measurement scale
|
||||
resid = (resid - np.mean(resid))/np.std(resid,ddof = 1)
|
||||
plt.figure()
|
||||
for i in range(3):
|
||||
xvar = X_train.iloc[:,i]
|
||||
ax = plt.subplot(3, 1, i + 1)
|
||||
ax.scatter(xvar, resid)
|
||||
ax.set_xlabel(boston.feature_names[i])
|
||||
ax.set_ylabel("Residuals")
|
||||
ax.hlines([-2, 0, 2], np.min(xvar), np.max(xvar))
|
||||
|
||||
plt.show()
|
||||
plt.figure()
|
||||
ax = plt.subplot(3, 1, 1)
|
||||
ax.scatter(fitted,resid)
|
||||
ax.set_xlabel('Fitted values')
|
||||
ax.set_ylabel('Residuals')
|
||||
|
||||
ax = plt.subplot(3,1,2)
|
||||
ax.scatter(fitted,y_train)
|
||||
ax.set_xlabel('Fitted values')
|
||||
ax.set_ylabel('Predicted values')
|
||||
|
||||
ax = plt.subplot(3, 1,3)
|
||||
import scipy.stats as stats
|
||||
stats.probplot(resid,dist = 'norm',plot = ax)
|
||||
plt.show()
|
||||
|
||||
#Scaling data: many types available
|
||||
# sklearn comes with many preprocessing transformations in the sklearn.preprocessing module
|
||||
#Scaling is crucial for many statistical and machine learning algorithms
|
||||
# • k-means and hierarchical clustering
|
||||
# – Data units & variance play crucial role in cluster selection
|
||||
# • Using gradient descent optimization
|
||||
# – Scaled data allows the weights to update at an equal speed
|
||||
# • Scaled data allows the regression coefficients to be compared
|
||||
|
||||
#########################################################
|
||||
# Min-max scaling
|
||||
# DOESN'T change the shape
|
||||
# DOES change the bounds, mean and sd
|
||||
# NOT often used in LR
|
||||
# used more in GDO (gradient Descent Optimisation)
|
||||
|
||||
# sklearn.preprocessing module has a MinMaxScaler() for this
|
||||
##########################################################
|
||||
|
||||
np.random.seed(1)
|
||||
x_n = np.random.normal(2, 5, 500)
|
||||
x_t = np.random.standard_t(2, 500)
|
||||
x_ln = np.random.lognormal(1, 1, 500)
|
||||
df = pd.DataFrame({ 'Normal': x_n, 'T': x_t, 'Lognormal': x_ln
|
||||
})
|
||||
|
||||
df_long = df.melt(var_name='Distribution')
|
||||
g = sns.FacetGrid(df_long, col='Distribution',sharex=False)
|
||||
g.map(plt.hist, 'value', bins = 50)
|
||||
plt.show()
|
||||
|
||||
def min_max(x):
|
||||
min = np.min(x)
|
||||
s = (x - min)/(np.max(x) - min)
|
||||
return (s)
|
||||
|
||||
scaled = df.apply(min_max).melt(var_name='Distribution')
|
||||
|
||||
scaled['Scaled'] = True
|
||||
df_long['Scaled'] = False
|
||||
full_data = pd.concat([df_long, scaled], axis=0)
|
||||
|
||||
g = sns.FacetGrid(full_data, col='Distribution'
|
||||
,row='Scaled'
|
||||
, sharex=False
|
||||
, sharey=False)
|
||||
|
||||
g.map(plt.hist, 'value', bins = 50)
|
||||
|
||||
plt.show()
|
||||
|
||||
df.apply([np.mean,np.std])
|
||||
df.apply(min_max).apply([np.mean,np.std])
|
||||
|
||||
# sklearn: MinMaxScaler()
|
||||
|
||||
scaler = preprocessing.MinMaxScaler()
|
||||
scaler.fit(X_train)
|
||||
|
||||
X_train_scaled = scaler.transform(X_train)
|
||||
X_train_scaled[:1]
|
||||
|
||||
##########################################################
|
||||
# z-score standardisation
|
||||
# DOESN'T change the shape
|
||||
# popular in linear models
|
||||
# DOESN'T effect the predictions
|
||||
# but makes the size of the coeffs directly comparable
|
||||
|
||||
# sklearn.preprocessing module has a StandardScaler() for this
|
||||
##########################################################
|
||||
|
||||
def z_score(x):
|
||||
mean = np.mean(x)
|
||||
std = np.std(x, ddof=1)
|
||||
return (x - mean)/std
|
||||
|
||||
scaled = df.apply(z_score).melt(var_name='Distribution')
|
||||
scaled['Scaled'] = True
|
||||
full_data = pd.concat([df_long, scaled], axis=0)
|
||||
g = sns.FacetGrid(full_data, col='Distribution'
|
||||
, row ='Scaled'
|
||||
, sharex=False
|
||||
,sharey=False)
|
||||
g.map(plt.hist, 'value', bins=50)
|
||||
|
||||
###############################################
|
||||
# Dividing by two standard deviations
|
||||
# http://www.stat.columbia.edu/
|
||||
# ~gelman/research/published/ standardizing7.pdf
|
||||
# One of the downsides of scaling data by z-scoring is that is not obvious
|
||||
# how this should be handled in the case of categorical variables.
|
||||
|
||||
# suggest the use of a rescaling that divides numeric vari-
|
||||
# ables by two standard deviations, whilst leaving binary encoded categorical
|
||||
# variables untransformed.
|
||||
# nothing in sklearn for this
|
||||
###############################################
|
||||
from sklearn.base import BaseEstimator, TransformerMixin
|
||||
class two_sd_scaler(BaseEstimator, TransformerMixin):
|
||||
def fit(self, X, y=None):
|
||||
self.stds = 2*np.std(X, axis=0, ddof=1)
|
||||
return self
|
||||
def transform(self, X, y=None):
|
||||
return X/self.stds
|
||||
|
||||
# Having preprocessed the data this way we can not fit a model to it in the
|
||||
# same way as before.
|
||||
model2 = linear_model.LinearRegression()
|
||||
model2.fit(X_train_scaled, y_train)
|
||||
#When making predictions on new values we also need to make sure to pass
|
||||
#the new values through the same preprocessing step.
|
||||
|
||||
new_value = np.array(X_train.mean(), ndmin = 2)
|
||||
new_scaled = scaler.transform(new_value)
|
||||
pred = model2.predict(new_scaled)
|
||||
pred
|
||||
|
||||
##########################
|
||||
# 2.5 Creating a pipeline
|
||||
##########################
|
||||
# For any training data set and any data for prediction we will want to apply
|
||||
# the same scaling transformation and use the same model. We could create
|
||||
# a sklearn.pipeline.Pipeline() to organise the steps to creating the
|
||||
# estimator
|
||||
|
||||
from sklearn.pipeline import Pipeline
|
||||
model = Pipeline(steps = [('preprocess', preprocessing.StandardScaler())
|
||||
,('regression', linear_model.LinearRegression())
|
||||
])
|
||||
|
||||
# Having created the Pipeline object we can now fit as before. Calling
|
||||
# .fit() now however, will first fit the 'preprocess' step and then the
|
||||
# 'regression' step. When we predict, the new values will also pass through
|
||||
# both stages of our pipeline.
|
||||
model.fit(X_train,y_train)
|
||||
new_values = np.array(X_train.mean(), ndmin = 2)
|
||||
model.predict(new_values)
|
||||
#from sklearn.metrics import accuracy_score
|
||||
#print(accuracy_score(y_test, model.predict(X_test)))
|
||||
|
||||
#2.6 Preprocessing categorical variables
|
||||
# One hot encoding: will take a categorical feature with K categories and
|
||||
# create a ‘one of K ’ encoding scheme. I.e a set of binary variables for each
|
||||
# category. Consider the toy data
|
||||
|
||||
toy = pd.DataFrame({
|
||||
'category':['a', 'a', 'b', 'c', 'b']
|
||||
})
|
||||
enc = preprocessing.OneHotEncoder()
|
||||
enc.fit(toy)
|
||||
enc.transform(toy).toarray()
|
||||
|
||||
#Combining preprocessing steps:
|
||||
# the preprocessing steps into a single operation
|
||||
# for our Pipeline using a sklearn.compose.ColumnTransformer
|
||||
toy = pd.DataFrame({
|
||||
'numeric': [1., 2., 3., 4., 5.],
|
||||
'category': ['a', 'a', 'b', 'c', 'b']
|
||||
})
|
||||
|
||||
from sklearn.compose import ColumnTransformer
|
||||
from sklearn.preprocessing import StandardScaler, OneHotEncoder
|
||||
numeric_features = ['numeric']
|
||||
categorical_features = ['category']
|
||||
preprocessor = ColumnTransformer(transformers=[('num', StandardScaler()
|
||||
, numeric_features)
|
||||
,('cat', OneHotEncoder(), categorical_features)])
|
||||
|
||||
preprocessor.fit(toy)
|
||||
preprocessor.transform(toy)
|
||||
|
||||
# This preprocessing step could then be a step in the pipeline for a regres-
|
||||
# sion
|
||||
model = Pipeline(steps = [('preprocess', preprocessor)
|
||||
,('regression', linear_model.LinearRegression())])
|
||||
|
||||
# fit the preprocessor pipeline to the data
|
||||
preprocessor.fit(toy)
|
||||
|
||||
# transformer will now give the appropriate pre-processing for different types of variables.
|
||||
preprocessor.transform(toy)
|
||||
|
||||
#This preprocessing step could then be a step in the pipeline for a regression
|
||||
model = Pipeline(steps = [('preprocess', preprocessor)
|
||||
,('regression', linear_model.LinearRegression())])
|
||||
|
||||
#Model Assessment and Feature Selection
|
||||
|
||||
#%%#####################################################################
|
||||
|
||||
# Accuracy score is only for classification problems.
|
||||
# For regression problems you can use: R2 Score, MSE (Mean Squared Error), RMSE (Root Mean Squared Error).
|
||||
from sklearn import datasets
|
||||
from sklearn.model_selection import train_test_split
|
||||
from sklearn.preprocessing import StandardScaler
|
||||
from sklearn.decomposition import PCA
|
||||
from sklearn.tree import DecisionTreeClassifier
|
||||
from sklearn.ensemble import RandomForestClassifier
|
||||
from sklearn.pipeline import Pipeline
|
||||
from sklearn import preprocessing
|
||||
|
||||
# read data
|
||||
iris = datasets.load_iris()
|
||||
|
||||
# assign X and y
|
||||
X = iris.data
|
||||
y = iris.target
|
||||
|
||||
# split data into train and testing part (25 % of data is test size of the data)
|
||||
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size = 0.25)
|
||||
|
||||
# preprocess the data
|
||||
|
||||
# scaling
|
||||
scaler = preprocessing.MinMaxScaler()
|
||||
# fit X_train to scaling
|
||||
scaler.fit(X_train)
|
||||
# Apply the scaling/transforamtion to the dta
|
||||
X_train_scaled = scaler.transform(X_train)
|
||||
|
||||
# Choose the required model/s
|
||||
model2 = linear_model.LinearRegression() # Classification metrics can't handle a mix of multiclass and continuous targets
|
||||
model2 = DecisionTreeClassifier()
|
||||
|
||||
# fit the model to the data for predictions
|
||||
model2.fit(X_train_scaled, y_train)
|
||||
# check model performace
|
||||
print(accuracy_score(y_test, model2.predict(X_test)))
|
||||
|
||||
|
||||
#When making predictions on new values we also need to make sure to pass
|
||||
#the new values through the same preprocessing step.
|
||||
new_value = np.array(X_train.mean(), ndmin = 2)
|
||||
new_scaled = scaler.transform(new_value)
|
||||
pred = model2.predict(new_scaled)
|
||||
pred
|
||||
|
||||
# or Create a pipeline that standardizes the data then creates a model
|
||||
|
||||
# make a pipeline
|
||||
# PCA(Dimension reduction to two) -> Scaling the data -> DecisionTreeClassification
|
||||
pipe1 = Pipeline([('pca', PCA(n_components = 2))
|
||||
, ('std', StandardScaler())
|
||||
, ('decision_tree', DecisionTreeClassifier())]
|
||||
, verbose = True)
|
||||
|
||||
pipe2 = Pipeline(steps = [('preprocess', preprocessing.StandardScaler())
|
||||
#,('regression', linear_model.LinearRegression())
|
||||
,('rf', RandomForestClassifier())
|
||||
])
|
||||
|
||||
# fit pipeline to TRAINING data [X_train and y_train]
|
||||
pipe1.fit(X_train, y_train)
|
||||
pipe2.fit(X_train, y_train)
|
||||
|
||||
# model prediction on TEST data [X_test and y_test]
|
||||
print(accuracy_score(y_test, pipe1.predict(X_test)))
|
||||
print(accuracy_score(y_test, pipe2.predict(X_test)))
|
||||
print(pipe2.classification_report (y_test, np.argmax(predicted, axis = 1)))
|
||||
enc = preprocessing.OneHotEncoder()
|
||||
enc.fit(X_train)
|
||||
enc.transform(X_train).toarray()
|
||||
|
||||
425
test_data/pnca_all_params.csv
Normal file
425
test_data/pnca_all_params.csv
Normal file
|
|
@ -0,0 +1,425 @@
|
|||
mutationinformation,wild_type,position,mutant_type,chain,ligand_id,ligand_distance,duet_stability_change,duet_outcome,ligand_affinity_change,ligand_outcome,duet_scaled,affinity_scaled,wild_pos,wild_chain_pos,ddg_foldx,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,foldx_scaled,foldx_outcome,deepddg,deepddg_outcome,deepddg_scaled,asa,rsa,ss,ss_class,kd_values,rd_values,wt_3upper,consurf_score,consurf_scaled,consurf_colour,consurf_colour_rev,consurf_ci_upper,consurf_ci_lower,consurf_ci_colour,consurf_msa_data,consurf_aa_variety,snap2_score,snap2_scaled,snap2_accuracy_pc,snap2_outcome,mutation,af,beta_logistic,or_logistic,pval_logistic,se_logistic,zval_logistic,ci_low_logistic,ci_hi_logistic,or_mychisq,log10_or_mychisq,or_fisher,pval_fisher,neglog_pval_fisher,ci_low_fisher,ci_hi_fisher,est_chisq,pval_chisq,ddg_dynamut2,ddg_dynamut2_scaled,ddg_dynamut2_outcome,mut_3upper,seq_offset4pdb,pdb_file
|
||||
M1T,M,1,T,A,PZA,23.978,0.109,Stabilising,0.344,Stabilising,0.0926870748299319,0.1542600896860986,M1,MA1,0.867771,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.031606108727481985,Destabilising,-1.096,Destabilising,-0.18687127024722933,88,0.3928571428571428,-,loop,0.6333333333333333,4.12,MET,-1.048,-0.8632619439868204,9,9,-1.178,-0.993,9:9,21/150,V:M,52,0.5473684210526316,75,effect,pnca_p.met1thr,0.0007187005893344,14.1489809714062,1395803.74890195,0.890414731995374,102.692976014008,0.137779442378573,507.712885368923,,97.3828619670747,1.98848253379833,inf,2.1018584548314e-08,7.67739653395739,10.9022485555592,inf,42.8452490786805,5.924579267292849e-11,0.51,0.2865168539325842,Stabilising,THR,0,pnca_complex.pdb
|
||||
M1R,M,1,R,A,PZA,23.978,0.6940000000000001,Stabilising,-0.16,Destabilising,0.5901360544217688,-0.0405268490374873,M1,MA1,-0.00977971,-14.0,0.0,0.0,0.0,-20.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,-1.0,1.0,0.0,0.0,-2.0,-2.0,-0.0018802795508728756,Stabilising,-0.78,Destabilising,-0.1329923273657289,88,0.3928571428571428,-,loop,0.6333333333333333,4.12,MET,-1.048,-0.8632619439868204,9,9,-1.178,-0.993,9:9,21/150,V:M,44,0.4631578947368421,71,effect,,,,,,,,,,,,,,,,,,,1.21,0.6797752808988764,Stabilising,ARG,0,pnca_complex.pdb
|
||||
M1I,M,1,I,A,PZA,23.978,-0.347,Destabilising,-0.294,Destabilising,-0.0896640826873385,-0.0744680851063829,M1,MA1,-0.0549615,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,-3.0,0.0,0.0,0.0,0.0,-0.010567080673690688,Stabilising,-0.407,Destabilising,-0.06939471440750213,88,0.3928571428571428,-,loop,0.6333333333333333,4.12,MET,-1.048,-0.8632619439868204,9,9,-1.178,-0.993,9:9,21/150,V:M,7,0.07368421052631578,53,effect,pnca_p.met1ile,0.0001437401178668,-9.98752126245056,4.59700131334276e-05,0.942832958100734,139.277183325397,-0.0717096729269464,,144471.706314837,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-0.79,-0.2068062827225131,Destabilising,ILE,0,pnca_complex.pdb
|
||||
M1K,M,1,K,A,PZA,23.978,0.296,Stabilising,0.215,Stabilising,0.2517006802721089,0.0964125560538116,M1,MA1,0.0794895,-6.0,-2.0,0.0,0.0,-18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,-1.0,0.0,0.0,0.0,0.0,0.002895180617574429,Destabilising,-1.017,Destabilising,-0.1734015345268542,88,0.3928571428571428,-,loop,0.6333333333333333,4.12,MET,-1.048,-0.8632619439868204,9,9,-1.178,-0.993,9:9,21/150,V:M,70,0.7368421052631579,85,effect,pnca_p.met1lys,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253633,119.468044435492,-0.0752285585987748,,4692673.51081395,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.34,-0.0890052356020942,Destabilising,LYS,0,pnca_complex.pdb
|
||||
R2W,R,2,W,A,PZA,21.092,-0.1639999999999999,Destabilising,-1.147,Destabilising,-0.0423772609819121,-0.2905268490374873,R2,RA2,4.38565,8.0,30.0,0.0,4.0,26.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,5.0,6.0,0.0,6.0,4.0,0.15973491939772289,Destabilising,-0.74,Destabilising,-0.12617220801364024,55,0.2007299270072992,E,strand,-0.2666666666666666,4.74,ARG,-0.015,-0.012355848434925865,5,5,-0.244,0.083,6:5,84/150,R:K:N:H:T:S:E,58,0.6105263157894737,75,effect,,,,,,,,,,,,,,,,,,,-0.16,-0.0418848167539267,Destabilising,TRP,0,pnca_complex.pdb
|
||||
R2P,R,2,P,A,PZA,21.092,-1.031,Destabilising,-2.244,Destabilising,-0.2664082687338501,-0.56838905775076,R2,RA2,4.20376,48.0,28.0,0.0,4.0,24.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,1.0,1.0,4.0,0.0,6.0,0.0,0.1531100896713991,Destabilising,-1.935,Destabilising,-0.329923273657289,55,0.2007299270072992,E,strand,-0.2666666666666666,4.74,ARG,-0.015,-0.012355848434925865,5,5,-0.244,0.083,6:5,84/150,R:K:N:H:T:S:E,63,0.6631578947368421,80,effect,,,,,,,,,,,,,,,,,,,-0.43,-0.112565445026178,Destabilising,PRO,0,pnca_complex.pdb
|
||||
R2L,R,2,L,A,PZA,21.092,0.062,Stabilising,-2.083,Destabilising,0.0527210884353741,-0.5276089159067883,R2,RA2,1.78755,38.0,30.0,0.0,4.0,26.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,-2.0,2.0,0.0,0.0,0.0,-2.0,0.06510646202259632,Destabilising,-0.708,Destabilising,-0.1207161125319693,55,0.2007299270072992,E,strand,-0.2666666666666666,4.74,ARG,-0.015,-0.012355848434925865,5,5,-0.244,0.083,6:5,84/150,R:K:N:H:T:S:E,44,0.4631578947368421,71,effect,pnca_p.arg2leu,7.18700589334483e-05,-8.9874087814964,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987755,,4692673.51081259,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.24,-0.06282722513089,Destabilising,LEU,0,pnca_complex.pdb
|
||||
A3E,A,3,E,A,PZA,18.028,-2.829,Destabilising,-1.5519999999999998,Destabilising,-0.7310077519379844,-0.3931104356636271,A3,AA3,2.75936,-30.0,-38.0,0.0,-2.0,-36.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-13.0,0.0,-3.0,-14.0,-4.0,0.0,-2.0,-9.0,0.1005018975954079,Destabilising,-5.34,Destabilising,-0.9104859335038362,0,0.0,E,strand,0.3666666666666666,8.38,ALA,-0.873,-0.7191103789126854,8,8,-0.993,-0.827,9:8,141/150,A:G:T:V:C,56,0.5894736842105263,75,effect,pnca_p.ala3glu,0.0002874802357337,14.1464514590954,1392277.50785087,0.930573112990226,162.371849599086,0.0871237932808215,0.011399544335555,,38.8547368421053,1.58944397188817,inf,0.0008528275207519,3.06913879340442,3.20302487654751,inf,13.9909822352959,0.0001836895199759,-1.11,-0.2905759162303665,Destabilising,GLU,0,pnca_complex.pdb
|
||||
A3P,A,3,P,A,PZA,18.028,-1.124,Destabilising,-2.664,Destabilising,-0.2904392764857881,-0.6747720364741641,A3,AA3,-0.155697,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,2.0,-7.0,-4.0,-2.0,0.0,-2.0,-1.0,-0.029934822733215412,Stabilising,-3.837,Destabilising,-0.6542199488491048,0,0.0,E,strand,0.3666666666666666,8.38,ALA,-0.873,-0.7191103789126854,8,8,-0.993,-0.827,9:8,141/150,A:G:T:V:C,66,0.6947368421052632,80,effect,pnca_p.ala3pro,7.18700589334483e-05,12.1451538387263,188179.926264599,0.919026337424228,119.468044436222,0.101660271548263,5.01153666063644e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.13,-0.0340314136125654,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L4S,L,4,S,A,PZA,15.328,-3.87,Destabilising,-1.078,Destabilising,-1.0,-0.2730496453900709,L4,LA4,5.57838,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,6.0,0.0,4.0,6.0,0.20317674225482413,Destabilising,-2.638,Destabilising,-0.4497868712702472,0,0.0,E,strand,3.3666666666666667,8.8,LEU,-1.075,-0.8855024711696869,9,9,-1.152,-1.028,9:9,146/150,F:V:L:I,63,0.6631578947368421,80,effect,pnca_p.leu4ser,0.0024435820037372,3.34839479820379,28.4570177059942,4.89069202996555e-12,0.484662577645081,6.90871330415739,12.0071584873314,83.7151686983107,28.4570212765957,1.4541894385859,28.4308865607855,5.6263316435115e-18,17.2497746719749,10.8739157094292,94.2522723934353,107.057952768928,4.32340113554558e-25,-3.7,-0.968586387434555,Destabilising,SER,0,pnca_complex.pdb
|
||||
L4W,L,4,W,A,PZA,15.328,-2.169,Destabilising,-2.216,Destabilising,-0.5604651162790698,-0.5612968591691996,L4,LA4,1.63111,-46.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-15.0,0.0,-7.0,-8.0,0.0,0.0,-16.0,2.0,0.05940857669417755,Destabilising,-2.168,Destabilising,-0.36965046888320546,0,0.0,E,strand,3.3666666666666667,8.8,LEU,-1.075,-0.8855024711696869,9,9,-1.152,-1.028,9:9,146/150,F:V:L:I,70,0.7368421052631579,85,effect,pnca_p.leu4trp,0.0012217910018686,3.12479275069714,22.7551786098964,9.15103299018708e-07,0.636534850451638,4.90906782005734,7.42096527532349,98.7712876576624,22.7551797040169,1.35708026960092,22.7463684762183,7.157958206418241e-09,8.14521084167875,6.3414443600848,123.179124931302,46.6274188614457,8.58505795592483e-12,-1.93,-0.5052356020942408,Destabilising,TRP,0,pnca_complex.pdb
|
||||
L4V,L,4,V,A,PZA,15.328,-1.717,Destabilising,-2.8280000000000003,Destabilising,-0.4436692506459948,-0.7163120567375887,L4,LA4,1.19624,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,2.0,0.0,0.0,0.0,0.043569664697440974,Destabilising,-1.68,Destabilising,-0.2864450127877238,0,0.0,E,strand,3.3666666666666667,8.8,LEU,-1.075,-0.8855024711696869,9,9,-1.152,-1.028,9:9,146/150,F:V:L:I,22,0.23157894736842105,63,effect,,,,,,,,,,,,,,,,,,,-1.95,-0.5104712041884817,Destabilising,VAL,0,pnca_complex.pdb
|
||||
I5T,I,5,T,A,PZA,11.437,-3.43,Destabilising,-0.945,Destabilising,-0.8863049095607235,-0.2393617021276595,I5,IA5,3.67776,32.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,4.0,0.0,0.1339520247088047,Destabilising,-2.709,Destabilising,-0.4618925831202046,0,0.0,E,strand,4.266666666666667,12.6,ILE,-0.011,-0.009060955518945634,5,5,-0.244,0.083,6:5,146/150,G:F:I:L:V,63,0.6631578947368421,80,effect,pnca_p.ile5thr,0.0002874802357337,2.67848962960141,14.5630810302278,0.0202679102821362,1.15384949648317,2.3213509541454,1.86363317860697,294.488177946116,14.5631313131313,1.16325476548539,14.5631012253236,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,5.81873994206135,0.0158563003544608,-3.3,-0.8638743455497382,Destabilising,THR,0,pnca_complex.pdb
|
||||
I5S,I,5,S,A,PZA,11.437,-3.843,Destabilising,-0.778,Destabilising,-0.9930232558139536,-0.1970618034447821,I5,IA5,5.83176,30.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,4.0,0.0,0.21240539339593092,Destabilising,-3.518,Destabilising,-0.5998294970161977,0,0.0,E,strand,4.266666666666667,12.6,ILE,-0.011,-0.009060955518945634,5,5,-0.244,0.083,6:5,146/150,G:F:I:L:V,63,0.6631578947368421,80,effect,pnca_p.ile5ser,7.18700589334483e-05,12.1451538387253,188179.92626441,0.919026337424193,119.46804443616,0.101660271548307,5.0115366606943e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-3.58,-0.93717277486911,Destabilising,SER,0,pnca_complex.pdb
|
||||
I6L,I,6,L,A,PZA,9.258,-0.5479999999999999,Destabilising,-3.018,Destabilising,-0.1416020671834625,-0.7644376899696049,I6,IA6,0.267883,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-2.0,-5.0,2.0,0.0,-2.0,-2.0,0.009756881970294073,Destabilising,-1.616,Destabilising,-0.27553282182438193,1,0.0050761421319796,E,strand,4.4,11.36,ILE,-0.6,-0.4942339373970346,7,7,-0.728,-0.553,8:7,146/150,M:A:I:L:V,5,0.05263157894736842,53,effect,pnca_p.ile6leu,0.0097024579560155,-0.953704270146009,0.385311080310026,0.0037560422096937,0.329095586242593,-2.89795521427317,0.189089468462042,0.697385389891155,0.385310257492613,-0.414189429312607,0.385326683377145,0.0017355697972772,2.76055791615401,0.180049643960023,0.733980750878148,8.35414540919546,0.0038480840706912,-0.58,-0.1518324607329843,Destabilising,LEU,0,pnca_complex.pdb
|
||||
I6V,I,6,V,A,PZA,9.258,-1.528,Destabilising,-2.761,Destabilising,-0.3948320413436692,-0.6993414387031409,I6,IA6,1.3314700000000002,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,2.0,0.0,2.0,0.0,0.04849503565731103,Destabilising,-1.511,Destabilising,-0.25763000852514917,1,0.0050761421319796,E,strand,4.4,11.36,ILE,-0.6,-0.4942339373970346,7,7,-0.728,-0.553,8:7,146/150,M:A:I:L:V,-86,-0.9247311827956989,93,neutral,,,,,,,,,,,,,,,,,,,-1.35,-0.3534031413612565,Destabilising,VAL,0,pnca_complex.pdb
|
||||
I6T,I,6,T,A,PZA,9.258,-3.089,Destabilising,-1.244,Destabilising,-0.7981912144702842,-0.315096251266464,I6,IA6,3.71452,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,2.0,0.0,0.0,0.0,0.1352909039255822,Destabilising,-3.589,Destabilising,-0.6119352088661552,1,0.0050761421319796,E,strand,4.4,11.36,ILE,-0.6,-0.4942339373970346,7,7,-0.728,-0.553,8:7,146/150,M:A:I:L:V,62,0.6526315789473685,80,effect,pnca_p.ile6thr,0.000646830530401,14.148558941436,1395214.80217275,0.896008552350165,108.247901039825,0.130705157379733,226.474535586036,,87.6075949367089,1.94254175795031,inf,1.23317897951184e-07,6.90897388676731,9.59561062779463,inf,38.0099632572142,7.038428913028e-10,-3.14,-0.8219895287958116,Destabilising,THR,0,pnca_complex.pdb
|
||||
I6S,I,6,S,A,PZA,9.258,-3.585,Destabilising,-1.047,Destabilising,-0.9263565891472868,-0.2651975683890577,I6,IA6,6.01751,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,2.0,0.0,4.0,0.0,0.21917081272445166,Destabilising,-4.149,Destabilising,-0.7074168797953964,1,0.0050761421319796,E,strand,4.4,11.36,ILE,-0.6,-0.4942339373970346,7,7,-0.728,-0.553,8:7,146/150,M:A:I:L:V,64,0.6736842105263158,80,effect,pnca_p.ile6ser,0.0001437401178668,13.1456002256205,511754.463552573,0.924803768446996,139.277183326562,0.094384449136928,0.0001628371344453,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-3.42,-0.8952879581151832,Destabilising,SER,0,pnca_complex.pdb
|
||||
I6M,I,6,M,A,PZA,9.258,-1.021,Destabilising,-3.085,Destabilising,-0.2638242894056847,-0.7814083080040527,I6,IA6,0.24349,-32.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,0.0,-3.0,-2.0,0.0,-4.0,-2.0,0.00886843581319794,Destabilising,-2.364,Destabilising,-0.4030690537084399,1,0.0050761421319796,E,strand,4.4,11.36,ILE,-0.6,-0.4942339373970346,7,7,-0.728,-0.553,8:7,146/150,M:A:I:L:V,10,0.10526315789473684,59,effect,,,,,,,,,,,,,,,,,,,0.14,0.0786516853932584,Stabilising,MET,0,pnca_complex.pdb
|
||||
V7G,V,7,G,A,PZA,5.336,-3.114,Destabilising,-1.062,Destabilising,-0.8046511627906976,-0.2689969604863222,V7,VA7,5.26226,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,2.0,8.0,0.0,11.0,21.0,0.1916629637453653,Destabilising,-4.33,Destabilising,-0.7382779198635976,0,0.0,E,strand,1.7333333333333334,11.02,VAL,-0.66,-0.5436573311367381,7,7,-0.779,-0.615,8:7,146/150,V:I:A,86,0.9052631578947369,91,effect,pnca_p.val7gly,0.001293661060802,3.6647220332212,39.0452813634446,1.03849290922087e-06,0.750321763717271,4.88420063289289,11.103639297077,247.090478887866,39.0452814219213,1.59156855738766,39.0430804499264,5.5226464423210094e-11,10.2578527592503,9.16748833639401,349.97982252054,60.5607562088978,7.134219647799371e-15,-2.58,-0.6753926701570682,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V7L,V,7,L,A,PZA,5.336,-1.137,Destabilising,-0.589,Destabilising,-0.2937984496124031,-0.1491894630192502,V7,VA7,-0.847275,-26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-4.0,-2.0,0.0,-2.0,2.0,-0.16289990771360455,Stabilising,-2.289,Destabilising,-0.3902813299232737,0,0.0,E,strand,1.7333333333333334,11.02,VAL,-0.66,-0.5436573311367381,7,7,-0.779,-0.615,8:7,146/150,V:I:A,83,0.8736842105263158,91,effect,pnca_p.val7leu,0.0009343107661348,2.39307722351576,10.9471289278841,6.83262964849249e-05,0.600967660910521,3.98203993188257,3.56185012264106,40.4315613280321,10.9471518987342,1.03930114423982,10.9440461901209,4.53835196843674e-05,4.34310182576657,3.05117591386949,48.6969925271007,21.4040928993518,3.71976276752962e-06,-0.99,-0.2591623036649215,Destabilising,LEU,0,pnca_complex.pdb
|
||||
V7A,V,7,A,A,PZA,5.336,-2.592,Destabilising,-0.97,Destabilising,-0.6697674418604651,-0.2456940222897669,V7,VA7,3.42668,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,3.0,2.0,4.0,0.0,6.0,3.0,0.12480714457418834,Destabilising,-3.043,Destabilising,-0.518840579710145,0,0.0,E,strand,1.7333333333333334,11.02,VAL,-0.66,-0.5436573311367381,7,7,-0.779,-0.615,8:7,146/150,V:I:A,64,0.6736842105263158,80,effect,pnca_p.val7ala,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.075228558598775,,4692673.51081185,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.9,-0.4973821989528796,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V7F,V,7,F,A,PZA,5.336,-1.877,Destabilising,0.042,Stabilising,-0.4850129198966407,0.0188340807174887,V7,VA7,4.86315,-54.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-4.0,-8.0,0.0,-6.0,-4.0,0.17712650878867126,Destabilising,-2.949,Destabilising,-0.5028132992327365,0,0.0,E,strand,1.7333333333333334,11.02,VAL,-0.66,-0.5436573311367381,7,7,-0.779,-0.615,8:7,146/150,V:I:A,83,0.8736842105263158,91,effect,pnca_p.val7phe,0.0002156101768003,2.27260607808817,9.70465898653049,0.06344559022609,1.22442760158496,1.8560559033024,0.929172866365903,208.881603004777,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-1.55,-0.4057591623036649,Destabilising,PHE,0,pnca_complex.pdb
|
||||
V7I,V,7,I,A,PZA,5.336,-0.898,Destabilising,-0.635,Destabilising,-0.2320413436692506,-0.1608409321175278,V7,VA7,-1.10338,-24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,2.0,-7.0,0.0,0.0,2.0,-2.0,-0.21213950626778436,Stabilising,-0.738,Destabilising,-0.1258312020460358,0,0.0,E,strand,1.7333333333333334,11.02,VAL,-0.66,-0.5436573311367381,7,7,-0.779,-0.615,8:7,146/150,V:I:A,46,0.4842105263157895,71,effect,,,,,,,,,,,,,,,,,,,-0.73,-0.1910994764397905,Destabilising,ILE,0,pnca_complex.pdb
|
||||
D8E,D,8,E,A,PZA,3.22,-0.7859999999999999,Destabilising,0.012,Stabilising,-0.2031007751937984,0.0053811659192825,D8,DA8,1.90122,-24.0,-28.0,0.0,0.0,-28.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,-1.0,-8.0,0.0,-10.0,-6.0,0.0692465708520604,Destabilising,-1.417,Destabilising,-0.24160272804774083,5,0.0259067357512953,-,loop,1.6333333333333335,9.48,ASP,-1.187,-0.9777594728171335,9,9,-1.221,-1.178,9:9,146/150,D:H,90,0.9473684210526315,95,effect,pnca_p.asp8glu,0.0002874802357337,2.67848962960141,14.5630810302278,0.0202679102821361,1.15384949648317,2.3213509541454,1.86363317860697,294.488177945815,14.5631313131313,1.16325476548539,14.5631012253236,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,5.81873994206135,0.0158563003544608,-0.4,-0.1047120418848167,Destabilising,GLU,0,pnca_complex.pdb
|
||||
D8A,D,8,A,A,PZA,3.22,-0.511,Destabilising,-3.268,Destabilising,-0.1320413436692506,-0.8277608915906789,D8,DA8,0.541028,26.0,36.0,0.0,0.0,36.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-5.0,0.0,-4.0,-1.0,0.0,0.0,6.0,1.0,0.01970541743456756,Destabilising,-1.125,Destabilising,-0.1918158567774936,5,0.0259067357512953,-,loop,1.6333333333333335,9.48,ASP,-1.187,-0.9777594728171335,9,9,-1.221,-1.178,9:9,146/150,D:H,87,0.9157894736842105,91,effect,pnca_p.asp8ala,0.0001437401178668,13.1456002256206,511754.463552623,0.924803768447001,139.277183326572,0.094384449136922,0.0001628371344451,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,0.4,0.2247191011235955,Stabilising,ALA,0,pnca_complex.pdb
|
||||
D8N,D,8,N,A,PZA,3.22,-1.182,Destabilising,-1.655,Destabilising,-0.3054263565891472,-0.4191995947315096,D8,DA8,-1.26057,0.0,34.0,0.0,0.0,34.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-7.0,0.0,-5.0,-4.0,0.0,0.0,-4.0,2.0,-0.24236137814350533,Stabilising,-1.022,Destabilising,-0.1742540494458653,5,0.0259067357512953,-,loop,1.6333333333333335,9.48,ASP,-1.187,-0.9777594728171335,9,9,-1.221,-1.178,9:9,146/150,D:H,92,0.968421052631579,95,effect,pnca_p.asp8asn,0.0005030904125341,3.37290329402598,29.1630732435187,0.001789077082818,1.07995768762031,3.12318096596746,4.97876379054103,550.894323519252,29.1630847029077,1.46483345924118,29.1293325978315,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,18.6717493808583,1.55265977742841e-05,-1.29,-0.3376963350785341,Destabilising,ASN,0,pnca_complex.pdb
|
||||
D8G,D,8,G,A,PZA,3.22,-0.851,Destabilising,-3.445,Destabilising,-0.2198966408268733,-0.8725937183383992,D8,DA8,1.89305,34.0,38.0,0.0,0.0,38.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-8.0,-1.0,-3.0,-5.0,6.0,0.0,9.0,17.0,0.0689490016681357,Destabilising,-1.078,Destabilising,-0.18380221653878942,5,0.0259067357512953,-,loop,1.6333333333333335,9.48,ASP,-1.187,-0.9777594728171335,9,9,-1.221,-1.178,9:9,146/150,D:H,92,0.968421052631579,95,effect,pnca_p.asp8gly,0.0007905706482679,3.88541626053988,48.6872048041474,0.0002118075877291,1.0488367141091,3.70450062271154,9.3197738725557,893.78337229237,48.6872097931617,1.68741488635211,48.6746878162623,1.95392414212297e-07,6.70909230105579,6.91781679568266,2088.84994220519,37.2619168572472,1.03281930722422e-09,-0.82,-0.2146596858638743,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V9G,V,9,G,A,PZA,6.555,-3.236,Destabilising,-1.063,Destabilising,-0.8361757105943153,-0.2692502532928065,V9,VA9,3.70952,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,4.0,0.0,3.0,21.0,0.13510879304190734,Destabilising,-3.636,Destabilising,-0.6199488491048594,0,0.0,-,loop,-0.9333333333333332,9.57,VAL,-0.711,-0.585667215815486,8,8,-0.827,-0.615,8:7,146/150,I:C:L:V:M,83,0.8736842105263158,91,effect,pnca_p.val9gly,0.0003593502946672,2.96659528728018,19.4256680571767,0.0079500503166053,1.11770528264822,2.65418382943607,2.87215213651501,380.097158975938,19.4256842105263,1.28837632444196,19.4169790983636,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,9.87561363723508,0.0016748373055023,-3.48,-0.9109947643979058,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V9A,V,9,A,A,PZA,6.555,-2.467,Destabilising,-1.286,Destabilising,-0.6374677002583979,-0.3257345491388044,V9,VA9,2.03689,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,6.0,0.0,6.0,5.0,0.07418796756969384,Destabilising,-2.068,Destabilising,-0.3526001705029838,0,0.0,-,loop,-0.9333333333333332,9.57,VAL,-0.711,-0.585667215815486,8,8,-0.827,-0.615,8:7,146/150,I:C:L:V:M,61,0.6421052631578947,80,effect,pnca_p.val9ala,0.0002156101768003,-9.98760797391819,4.59660271789382e-05,0.930014323968985,113.719344729607,-0.0878268160765962,,127.948735098955,0.807902480033628,-0.0926410587047397,0.0,1.0,0.0,0.0,11.7369754738005,0.000393645565148,0.984170607395186,-2.01,-0.5261780104712042,Destabilising,ALA,0,pnca_complex.pdb
|
||||
Q10P,Q,10,P,A,PZA,6.02,-0.631,Destabilising,-1.771,Destabilising,-0.1630490956072351,-0.4485815602836879,Q10,QA10,6.78299,38.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,6.0,2.0,4.0,0.0,0.0,0.0,0.0,0.0,-8.0,2.0,-6.0,-4.0,0.0,0.0,2.0,0.0,0.24705126057153678,Destabilising,-2.963,Destabilising,-0.5052003410059676,0,0.0,B,strand,-0.9333333333333332,8.14,GLN,-1.214,-1.0,9,9,-1.229,-1.201,9:9,147/150,Q,95,1.0,95,effect,pnca_p.gln10pro,0.0211297973264338,5.05135310548255,156.233722233267,2.4956221564878496e-55,0.322395320006857,15.6681961306855,87.7376148601903,314.979076956589,156.233890214797,2.19377524680641,156.382472756358,1.2782291871021599e-207,206.893391269988,83.6783303393677,330.782028899935,1333.51093453962,5.90060424845557e-292,-0.11,-0.0287958115183246,Destabilising,PRO,0,pnca_complex.pdb
|
||||
Q10H,Q,10,H,A,PZA,6.02,-1.024,Destabilising,-0.636,Destabilising,-0.2645994832041343,-0.1610942249240121,Q10,QA10,3.94633,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-11.0,0.0,-8.0,-3.0,0.0,0.0,2.0,2.0,0.1437339287145157,Destabilising,-1.814,Destabilising,-0.3092924126172208,0,0.0,B,strand,-0.9333333333333332,8.14,GLN,-1.214,-1.0,9,9,-1.229,-1.201,9:9,147/150,Q,91,0.9578947368421052,95,effect,pnca_p.gln10his,0.0007905706482679,15.1494066679727,3795803.48336072,0.925233417916174,161.432542878774,0.0938435732834176,24.1993753469043,,107.166385135135,2.03005858162844,inf,3.5812015819156903e-09,8.44597123233921,12.2081619622864,inf,47.6847963834956,5.0055851012886495e-12,-0.97,-0.2539267015706806,Destabilising,HIS,0,pnca_complex.pdb
|
||||
Q10E,Q,10,E,A,PZA,6.02,-2.051,Destabilising,-0.537,Destabilising,-0.5299741602067184,-0.1360182370820668,Q10,QA10,3.84692,0.0,-56.0,0.0,0.0,-56.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-4.0,0.0,-6.0,1.0,0.0,0.0,0.0,4.0,0.1401132001252923,Destabilising,-1.976,Destabilising,-0.3369138959931799,0,0.0,B,strand,-0.9333333333333332,8.14,GLN,-1.214,-1.0,9,9,-1.229,-1.201,9:9,147/150,Q,88,0.9263157894736842,91,effect,,,,,,,,,,,,,,,,,,,-0.13,-0.0340314136125654,Destabilising,GLU,0,pnca_complex.pdb
|
||||
Q10R,Q,10,R,A,PZA,6.02,-1.078,Destabilising,-0.833,Destabilising,-0.2785529715762274,-0.2109929078014184,Q10,QA10,8.553410000000001,-48.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-5.0,-5.0,0.0,0.0,6.0,-4.0,0.31153381070666314,Destabilising,-2.07,Destabilising,-0.3529411764705882,0,0.0,B,strand,-0.9333333333333332,8.14,GLN,-1.214,-1.0,9,9,-1.229,-1.201,9:9,147/150,Q,94,0.9894736842105263,95,effect,pnca_p.gln10arg,0.001293661060802,4.41895722469024,83.0096797665738,1.61039699449321e-05,1.02456224249978,4.31301978678098,17.0476857395373,1496.24228456829,83.0135478408129,1.91914897517566,82.9817212776157,1.31421065040623e-12,11.8813350175945,12.9924324330291,3402.15298704802,70.7034697627924,4.15161653132659e-17,-0.42,-0.1099476439790576,Destabilising,ARG,0,pnca_complex.pdb
|
||||
Q10L,Q,10,L,A,PZA,6.02,0.6409999999999999,Stabilising,-1.694,Destabilising,0.5450680272108843,-0.4290780141843971,Q10,QA10,0.169275,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,-3.0,2.0,0.0,6.0,4.0,0.006165363966812113,Destabilising,-0.188,Destabilising,-0.03205456095481671,0,0.0,B,strand,-0.9333333333333332,8.14,GLN,-1.214,-1.0,9,9,-1.229,-1.201,9:9,147/150,Q,91,0.9578947368421052,95,effect,,,,,,,,,,,,,,,,,,,0.05,0.0280898876404494,Stabilising,LEU,0,pnca_complex.pdb
|
||||
N11S,N,11,S,A,PZA,9.599,0.315,Stabilising,-1.515,Destabilising,0.2678571428571428,-0.3837386018237081,N11,NA11,2.58536,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.09416443884352305,Destabilising,-1.389,Destabilising,-0.23682864450127877,42,0.2153846153846154,G,helix,-3.5,4.28,ASN,-0.682,-0.5617792421746294,8,8,-0.827,-0.615,8:7,147/150,T:P:L:N:V:I:R:K:Y:E:H:Q,69,0.7263157894736842,80,effect,pnca_p.asn11ser,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987755,,4692673.51081015,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.57,0.3202247191011235,Stabilising,SER,0,pnca_complex.pdb
|
||||
D12E,D,12,E,A,PZA,7.825,-0.21,Destabilising,-0.42,Destabilising,-0.0542635658914728,-0.1063829787234042,D12,DA12,2.1586,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,-2.0,0.0,0.0,0.0,0.0,0.07862091070010707,Destabilising,-2.035,Destabilising,-0.34697357203751067,22,0.1139896373056994,G,helix,-1.4,5.01,ASP,-1.058,-0.8714991762767711,9,9,-1.124,-1.028,9:9,147/150,C:D:T:G,69,0.7263157894736842,80,effect,pnca_p.asp12glu,0.0005749604714675,3.52746542085928,34.0375872334386,0.0009482725856347,1.06716956280854,3.30544043214259,6.05331233477717,636.464952477748,34.0379426644182,1.53196330239691,34.0436365315203,2.88610345466244e-05,4.53968810533409,4.36820226973726,1521.29182901896,23.2409378193551,1.42922316872435e-06,-0.02,-0.0052356020942408,Destabilising,GLU,0,pnca_complex.pdb
|
||||
D12Y,D,12,Y,A,PZA,7.825,-0.794,Destabilising,-1.94,Destabilising,-0.2051679586563307,-0.4913880445795339,D12,DA12,4.93098,-30.0,16.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-7.0,-2.0,0.0,0.0,0.0,-6.0,0.1795970250366043,Destabilising,-1.092,Destabilising,-0.18618925831202046,22,0.1139896373056994,G,helix,-1.4,5.01,ASP,-1.058,-0.8714991762767711,9,9,-1.124,-1.028,9:9,147/150,C:D:T:G,82,0.8631578947368421,91,effect,,,,,,,,,,,,,,,,,,,-0.59,-0.1544502617801047,Destabilising,TYR,0,pnca_complex.pdb
|
||||
D12G,D,12,G,A,PZA,7.825,0.079,Stabilising,-3.008,Destabilising,0.0671768707482993,-0.7619047619047619,D12,DA12,2.26095,20.0,16.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,15.0,17.0,0.0823487204889313,Destabilising,-1.546,Destabilising,-0.26359761295822676,22,0.1139896373056994,G,helix,-1.4,5.01,ASP,-1.058,-0.8714991762767711,9,9,-1.124,-1.028,9:9,147/150,C:D:T:G,67,0.7052631578947368,80,effect,pnca_p.asp12gly,0.0005030904125341,3.37290329402598,29.1630732435187,0.001789077082818,1.07995768762031,3.12318096596747,4.97876379053956,550.894323519286,29.1630847029077,1.46483345924118,29.1293325978315,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,18.6717493808583,1.55265977742841e-05,0.46,0.2584269662921348,Stabilising,GLY,0,pnca_complex.pdb
|
||||
D12A,D,12,A,A,PZA,7.825,0.904,Stabilising,-2.924,Destabilising,0.7687074829931974,-0.7406281661600811,D12,DA12,0.896575,14.0,16.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,6.0,3.0,0.03265521310615608,Destabilising,-1.267,Destabilising,-0.21602728047740832,22,0.1139896373056994,G,helix,-1.4,5.01,ASP,-1.058,-0.8714991762767711,9,9,-1.124,-1.028,9:9,147/150,C:D:T:G,64,0.6736842105263158,80,effect,pnca_p.asp12ala,0.0017967514733362,1.66318697401976,5.27609886875925,3.35314758209503e-05,0.400956055116994,4.14805301676878,2.39021356042842,11.7435962131774,5.2760989010989,0.722312927852139,5.2752786493537,6.93631068428177e-05,4.15887146261268,2.21601547098056,12.6651520546836,19.1276037177328,1.22263744860911e-05,1.36,0.7640449438202248,Stabilising,ALA,0,pnca_complex.pdb
|
||||
D12N,D,12,N,A,PZA,7.825,0.018,Stabilising,-1.928,Destabilising,0.0153061224489795,-0.4883485309017224,D12,DA12,1.58277,0.0,16.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-5.0,-2.0,0.0,0.0,0.0,0.0,0.05764792867080908,Destabilising,-2.236,Destabilising,-0.3812446717817562,22,0.1139896373056994,G,helix,-1.4,5.01,ASP,-1.058,-0.8714991762767711,9,9,-1.124,-1.028,9:9,147/150,C:D:T:G,79,0.8315789473684211,85,effect,pnca_p.asp12asn,0.000646830530401,2.83423972614077,17.0174574529133,0.0004057565735776,0.801467871651648,3.53631109416779,4.11022012991606,114.25813127402,17.0174957841484,1.23089565168614,17.0076332291246,0.0001105447439914,3.95646190174896,3.23648804294829,167.757055506696,19.306440114962,1.11330211002346e-05,0.09,0.0505617977528089,Stabilising,ASN,0,pnca_complex.pdb
|
||||
F13C,F,13,C,A,PZA,3.551,-2.32,Destabilising,-0.485,Destabilising,-0.5994832041343668,-0.1228470111448834,F13,FA13,2.69734,42.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-5.0,-2.0,-2.0,0.0,-2.0,0.0,0.09824299419430503,Destabilising,-2.036,Destabilising,-0.3471440750213129,24,0.1,G,helix,0.6,6.93,PHE,-1.201,-0.9892915980230643,9,9,-1.229,-1.201,9:9,147/150,F,79,0.8315789473684211,85,effect,pnca_p.phe13cys,0.0001437401178668,-9.98752126245058,4.59700131334268e-05,0.942832958100734,139.277183325397,-0.0717096729269463,,144471.706314842,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-2.68,-0.7015706806282723,Destabilising,CYS,0,pnca_complex.pdb
|
||||
F13L,F,13,L,A,PZA,3.551,-2.033,Destabilising,-0.427,Destabilising,-0.5253229974160206,-0.1081560283687943,F13,FA13,1.0968,8.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-4.0,-4.0,0.0,-2.0,0.0,0.03994784344291552,Destabilising,-1.283,Destabilising,-0.2187553282182438,24,0.1,G,helix,0.6,6.93,PHE,-1.201,-0.9892915980230643,9,9,-1.229,-1.201,9:9,147/150,F,84,0.8842105263157894,91,effect,pnca_p.phe13leu,0.0005749604714675,3.52746542085928,34.0375872334388,0.0009482725856346,1.06716956280854,3.3054404321426,6.05331233477459,636.464952476757,34.0379426644182,1.53196330239691,34.0436365315203,2.88610345466244e-05,4.53968810533409,4.36820226973726,1521.29182901896,23.2409378193551,1.42922316872435e-06,-2.06,-0.5392670157068064,Destabilising,LEU,0,pnca_complex.pdb
|
||||
F13I,F,13,I,A,PZA,3.551,-1.7619999999999998,Destabilising,-0.45,Destabilising,-0.4552971576227389,-0.1139817629179331,F13,FA13,0.8872450000000001,12.0,8.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-3.0,-4.0,4.0,0.0,2.0,4.0,0.03231539419721881,Destabilising,-1.241,Destabilising,-0.21159420289855074,24,0.1,G,helix,0.6,6.93,PHE,-1.201,-0.9892915980230643,9,9,-1.229,-1.201,9:9,147/150,F,83,0.8736842105263158,91,effect,pnca_p.phe13ile,0.0002874802357337,2.67848962960141,14.5630810302277,0.0202679102821363,1.15384949648317,2.3213509541454,1.86363317860665,294.488177945996,14.5631313131313,1.16325476548539,14.5631012253236,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,5.81873994206135,0.0158563003544608,-2.3,-0.6020942408376964,Destabilising,ILE,0,pnca_complex.pdb
|
||||
F13S,F,13,S,A,PZA,3.551,-3.104,Destabilising,0.218,Stabilising,-0.8020671834625321,0.0977578475336322,F13,FA13,2.59174,44.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-5.0,-4.0,-2.0,0.0,2.0,6.0,0.09439681233109216,Destabilising,-2.032,Destabilising,-0.346462063086104,24,0.1,G,helix,0.6,6.93,PHE,-1.201,-0.9892915980230643,9,9,-1.229,-1.201,9:9,147/150,F,88,0.9263157894736842,91,effect,pnca_p.phe13ser,0.0002874802357337,0.480257130287146,1.61648999729673,0.677247786834331,1.1538493489906,0.416221693678883,0.0799389646160496,12.6318165284589,1.61648444070648,0.208571528713835,1.61641362774286,0.527693668101443,0.277618116975238,0.0307788891197694,20.1401594005,5.751485287704321e-25,0.999999999999395,-3.54,-0.9267015706806284,Destabilising,SER,0,pnca_complex.pdb
|
||||
F13V,F,13,V,A,PZA,3.551,-2.57,Destabilising,-0.562,Destabilising,-0.6640826873385013,-0.1423505572441742,F13,FA13,1.40193,44.0,8.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,-4.0,0.0,0.05106134223005703,Destabilising,-2.51,Destabilising,-0.42796248934356346,24,0.1,G,helix,0.6,6.93,PHE,-1.201,-0.9892915980230643,9,9,-1.229,-1.201,9:9,147/150,F,84,0.8842105263157894,91,effect,pnca_p.phe13val,0.0001437401178668,-9.98752126245058,4.59700131334268e-05,0.942832958100734,139.277183325397,-0.0717096729269463,,144471.706314842,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-2.34,-0.612565445026178,Destabilising,VAL,0,pnca_complex.pdb
|
||||
C14Y,C,14,Y,A,PZA,8.493,-0.931,Destabilising,-0.604,Destabilising,-0.2405684754521963,-0.1529888551165147,C14,CA14,-0.852908,-40.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-3.0,-2.0,0.0,0.0,0.0,-2.0,-0.16398292701684228,Stabilising,-1.613,Destabilising,-0.27502131287297527,1,0.0059880239520958,S,loop,0.6,5.76,CYS,0.013,0.004166666666666667,5,5,-0.244,0.225,6:4,147/150,L:V:C:I:M:A:T,73,0.7684210526315789,85,effect,pnca_p.cys14tyr,0.0001437401178668,1.57903938912402,4.85029432717734,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673665,122.683760399245,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-0.51,-0.1335078534031413,Destabilising,TYR,0,pnca_complex.pdb
|
||||
C14G,C,14,G,A,PZA,8.493,-0.534,Destabilising,-1.214,Destabilising,-0.137984496124031,-0.3074974670719351,C14,CA14,1.40101,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,2.0,4.0,0.0,13.0,15.0,0.051027833827460865,Destabilising,-2.618,Destabilising,-0.44637681159420284,1,0.0059880239520958,S,loop,0.6,5.76,CYS,0.013,0.004166666666666667,5,5,-0.244,0.225,6:4,147/150,L:V:C:I:M:A:T,82,0.8631578947368421,91,effect,pnca_p.cys14gly,0.0009343107661348,1.42647319438274,4.16398768969361,0.0104102993024226,0.556804076010637,2.56189431047824,1.33944091330526,12.5461379903288,4.1639877189814,0.619509439957981,4.16339464867528,0.0142886927095374,1.84500750353971,1.15481122214044,14.4829286214949,5.83418569155344,0.0157176829434794,1.21,0.6797752808988764,Stabilising,GLY,0,pnca_complex.pdb
|
||||
C14R,C,14,R,A,PZA,8.493,-0.3329999999999999,Destabilising,-1.215,Destabilising,-0.0860465116279069,-0.3077507598784195,C14,CA14,-1.79171,-58.0,-18.0,0.0,0.0,-18.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-5.0,0.0,-2.0,-3.0,0.0,0.0,-2.0,-2.0,-0.34448011997231404,Stabilising,-2.708,Destabilising,-0.4617220801364024,1,0.0059880239520958,S,loop,0.6,5.76,CYS,0.013,0.004166666666666667,5,5,-0.244,0.225,6:4,147/150,L:V:C:I:M:A:T,81,0.8526315789473684,91,effect,pnca_p.cys14arg,0.0034497628288055,3.74827446550197,42.4477736723918,2.29709370000913e-15,0.473019029416408,7.92415152964658,18.4724160727947,122.828725767578,42.4477739726027,1.6278549200979,42.4422996313437,5.27268754098056e-28,27.2779679641604,16.8169087404394,137.378365631042,173.445422378416,1.30826250297363e-39,0.11,0.0617977528089887,Stabilising,ARG,0,pnca_complex.pdb
|
||||
C14W,C,14,W,A,PZA,8.493,-1.426,Destabilising,-0.421,Destabilising,-0.3684754521963824,-0.1066362715298885,C14,CA14,3.5671800000000005,-40.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-4.0,0.0,0.0,0.0,-2.0,0.1299244604054517,Destabilising,-1.443,Destabilising,-0.24603580562659846,1,0.0059880239520958,S,loop,0.6,5.76,CYS,0.013,0.004166666666666667,5,5,-0.244,0.225,6:4,147/150,L:V:C:I:M:A:T,81,0.8526315789473684,91,effect,pnca_p.cys14trp,0.0002156101768003,2.27260607808817,9.70465898653051,0.0634455902260898,1.22442760158496,1.8560559033024,0.929172866365548,208.881603004778,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-1.01,-0.2643979057591623,Destabilising,TRP,0,pnca_complex.pdb
|
||||
E15D,E,15,D,A,PZA,11.854,-0.135,Destabilising,0.146,Stabilising,-0.0348837209302325,0.0654708520179372,E15,EA15,2.38936,10.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,7.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,2.0,-4.0,0.08702569220346884,Destabilising,-0.543,Destabilising,-0.09258312020460359,92,0.4125560538116592,T,loop,-0.4666666666666666,3.7,GLU,-0.898,-0.7397034596375618,8,8,-0.993,-0.827,9:8,146/150,H:A:S:E:P:D,-31,-0.3333333333333333,66,neutral,,,,,,,,,,,,,,,,,,,-0.05,-0.013089005235602,Destabilising,ASP,0,pnca_complex.pdb
|
||||
E15G,E,15,G,A,PZA,11.854,0.063,Stabilising,-0.81,Destabilising,0.0535714285714285,-0.2051671732522796,E15,EA15,2.82636,16.0,10.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,7.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,11.0,5.0,0.10294218343665092,Destabilising,-0.925,Destabilising,-0.1577152600170503,92,0.4125560538116592,T,loop,-0.4666666666666666,3.7,GLU,-0.898,-0.7397034596375618,8,8,-0.993,-0.827,9:8,146/150,H:A:S:E:P:D,66,0.6947368421052632,80,effect,pnca_p.glu15gly,0.0003593502946672,-10.9877909019995,1.69068633684896e-05,0.939691219428539,145.22979768191,-0.075657964669658,,60.3389082676129,0.484657419083649,-0.314565134742567,0.0,0.596111875058711,0.224672226566594,0.0,5.29224350433385,0.177777263899814,0.673290424524484,0.47,0.2640449438202247,Stabilising,GLY,0,pnca_complex.pdb
|
||||
G17A,G,17,A,A,PZA,11.288,-0.03,Destabilising,-0.016,Destabilising,-0.0077519379844961,-0.0040526849037487,G17,GA17,4.40656,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,2.0,-6.0,0.0,-13.0,-18.0,0.1604965071132511,Destabilising,-1.942,Destabilising,-0.3311167945439045,18,0.173076923076923,S,loop,-0.5333333333333333,3.87,GLY,-1.147,-0.9448105436573312,9,9,-1.221,-1.124,9:9,147/150,R:G,66,0.6947368421052632,80,effect,pnca_p.gly17ala,7.18700589334483e-05,12.1451538387262,188179.926264583,0.919026337424224,119.468044436215,0.101660271548268,5.01153666064308e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.17,-0.0445026178010471,Destabilising,ALA,0,pnca_complex.pdb
|
||||
G17R,G,17,R,A,PZA,11.288,-0.0579999999999999,Destabilising,0.099,Stabilising,-0.0149870801033591,0.0443946188340807,G17,GA17,13.8675,-74.0,-16.0,0.0,0.0,-16.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-7.0,0.0,-7.0,-5.0,-10.0,0.0,-13.0,-21.0,0.5050845358722018,Destabilising,-2.189,Destabilising,-0.373231031543052,18,0.173076923076923,S,loop,-0.5333333333333333,3.87,GLY,-1.147,-0.9448105436573312,9,9,-1.221,-1.124,9:9,147/150,R:G,86,0.9052631578947369,91,effect,pnca_p.gly17arg,7.18700589334483e-05,12.1451538387266,188179.926264663,0.919026337424239,119.468044436241,0.10166027154825,5.0115366606189e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,0.01,0.0056179775280898,Stabilising,ARG,0,pnca_complex.pdb
|
||||
G17D,G,17,D,A,PZA,11.288,-0.552,Destabilising,1.6780000000000002,Stabilising,-0.1426356589147286,0.7524663677130046,G17,GA17,15.5901,-26.0,-26.0,0.0,0.0,-26.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,-2.0,0.0,0.0,0.0,0.0,-6.0,0.0,-6.0,-2.0,-6.0,0.0,-11.0,-21.0,0.5678253775158618,Destabilising,-2.984,Destabilising,-0.5087809036658141,18,0.173076923076923,S,loop,-0.5333333333333333,3.87,GLY,-1.147,-0.9448105436573312,9,9,-1.221,-1.124,9:9,147/150,R:G,78,0.8210526315789474,85,effect,pnca_p.gly17asp,0.0003593502946672,2.96659528728018,19.4256680571767,0.0079500503166054,1.11770528264822,2.65418382943607,2.87215213651461,380.0971589756,19.4256842105263,1.28837632444196,19.4169790983636,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,9.87561363723508,0.0016748373055023,-0.05,-0.013089005235602,Destabilising,ASP,0,pnca_complex.pdb
|
||||
G17S,G,17,S,A,PZA,11.288,-0.437,Destabilising,0.598,Stabilising,-0.1129198966408268,0.2681614349775785,G17,GA17,8.97262,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-7.0,0.0,-7.0,0.0,-4.0,0.0,-11.0,-19.0,0.32680235141573,Destabilising,-1.946,Destabilising,-0.33179880647911336,18,0.173076923076923,S,loop,-0.5333333333333333,3.87,GLY,-1.147,-0.9448105436573312,9,9,-1.221,-1.124,9:9,147/150,R:G,68,0.7157894736842105,80,effect,pnca_p.gly17ser,0.0002156101768003,0.885806606247281,2.4249395742581,0.469406216824826,1.22442753211922,0.723445514749362,0.112662937620391,25.327054747117,2.42493692178301,0.384700446081433,2.42473736947533,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,4.31445715363782e-25,0.999999999999476,-0.26,-0.0680628272251308,Destabilising,SER,0,pnca_complex.pdb
|
||||
S18P,S,18,P,A,PZA,9.173,-0.521,Destabilising,-1.13,Destabilising,-0.134625322997416,-0.2862208713272542,S18,SA18,1.09268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,-4.0,2.0,-6.0,-2.0,-2.0,0.0,-8.0,0.0,0.039797784074767445,Destabilising,0.064,Stabilising,0.05405405405405406,53,0.3419354838709677,T,loop,0.8666666666666666,3.72,SER,-0.553,-0.4555189456342669,7,7,-0.674,-0.485,7:7,147/150,T:S:A:R:K:N:H:E,53,0.5578947368421052,75,effect,pnca_p.ser18pro,7.18700589334483e-05,-8.9874087814964,0.0001249735077034,0.940032862253632,119.468044435489,-0.0752285585987761,,4692673.51081157,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.16,-0.0418848167539267,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L19V,L,19,V,A,PZA,5.113,-2.048,Destabilising,-1.722,Destabilising,-0.5291989664082687,-0.4361702127659574,L19,LA19,1.25265,26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-1.0,-2.0,0.0,0.0,-2.0,0.04562423968706066,Destabilising,-1.307,Destabilising,-0.222847399829497,27,0.1343283582089552,T,loop,1.6,4.47,LEU,-1.173,-0.9662273476112027,9,9,-1.221,-1.152,9:9,147/150,L:V,7,0.07368421052631578,53,effect,pnca_p.leu19val,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987759,,4692673.51081035,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-2.23,-0.5837696335078534,Destabilising,VAL,0,pnca_complex.pdb
|
||||
L19R,L,19,R,A,PZA,5.113,-1.418,Destabilising,-0.665,Destabilising,-0.3664082687338502,-0.1684397163120567,L19,LA19,2.62574,-54.0,-30.0,0.0,0.0,-30.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,-1.0,2.0,-4.0,0.0,0.0,-8.0,0.09563516634008115,Destabilising,-1.398,Destabilising,-0.2383631713554987,27,0.1343283582089552,T,loop,1.6,4.47,LEU,-1.173,-0.9662273476112027,9,9,-1.221,-1.152,9:9,147/150,L:V,81,0.8526315789473684,91,effect,pnca_p.leu19arg,0.0002156101768003,2.27260607808817,9.70465898653051,0.0634455902260897,1.22442760158496,1.8560559033024,0.929172866364976,208.881603004981,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-0.57,-0.1492146596858638,Destabilising,ARG,0,pnca_complex.pdb
|
||||
L19P,L,19,P,A,PZA,5.113,-1.791,Destabilising,-1.723,Destabilising,-0.4627906976744185,-0.4364235055724417,L19,LA19,2.98164,26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,6.0,-1.0,1.0,-4.0,0.0,-2.0,0.0,0.10859781904005711,Destabilising,-1.477,Destabilising,-0.25183290707587386,27,0.1343283582089552,T,loop,1.6,4.47,LEU,-1.173,-0.9662273476112027,9,9,-1.221,-1.152,9:9,147/150,L:V,83,0.8736842105263158,91,effect,pnca_p.leu19pro,0.0003593502946672,2.96659528728018,19.4256680571767,0.0079500503166053,1.11770528264822,2.65418382943607,2.87215213651493,380.09715897553,19.4256842105263,1.28837632444196,19.4169790983636,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,9.87561363723508,0.0016748373055023,-1.37,-0.3586387434554974,Destabilising,PRO,0,pnca_complex.pdb
|
||||
A20P,A,20,P,A,PZA,9.104,-0.313,Destabilising,-0.318,Destabilising,-0.0808785529715762,-0.080547112462006,A20,AA20,-1.37798,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,2.0,-6.0,0.0,0.0,0.0,0.0,-3.0,-0.26493501499653926,Stabilising,-0.07,Destabilising,-0.011935208866155159,52,0.4031007751937984,-,loop,3.266666666666667,3.81,ALA,-0.39,-0.3212520593080725,6,6,-0.553,-0.332,7:6,147/150,P:A:S:Y:E:G:H,-76,-0.8172043010752689,87,neutral,,,,,,,,,,,,,,,,,,,0.06,0.0337078651685393,Stabilising,PRO,0,pnca_complex.pdb
|
||||
A20S,A,20,S,A,PZA,9.104,-0.846,Destabilising,0.467,Stabilising,-0.2186046511627906,0.2094170403587444,A20,AA20,-0.127919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,0.0,0.0,0.0,0.0,-1.0,-0.02459413212335615,Stabilising,-0.376,Destabilising,-0.06410912190963342,52,0.4031007751937984,-,loop,3.266666666666667,3.81,ALA,-0.39,-0.3212520593080725,6,6,-0.553,-0.332,7:6,147/150,P:A:S:Y:E:G:H,-46,-0.4946236559139785,72,neutral,,,,,,,,,,,,,,,,,,,-0.16,-0.0418848167539267,Destabilising,SER,0,pnca_complex.pdb
|
||||
V21G,V,21,G,A,PZA,6.521,-2.004,Destabilising,-0.391,Destabilising,-0.517829457364341,-0.0990374873353596,V21,VA21,2.3728700000000003,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,15.0,0.0864250905091092,Destabilising,-2.469,Destabilising,-0.4209718670076726,9,0.0517241379310344,-,loop,1.7666666666666668,4.94,VAL,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,147/150,T:V:C:I,70,0.7368421052631579,85,effect,pnca_p.val21gly,0.0004312203536006,3.19016080361872,24.29233342416,0.0035954281300594,1.09565968954933,2.91163472932996,3.91551977432241,465.531063220335,24.2923336141533,1.38546923679232,24.2833096922897,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,14.1977442691074,0.0001645676755807,-2.8,-0.7329842931937173,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V21A,V,21,A,A,PZA,6.521,-1.742,Destabilising,-0.327,Destabilising,-0.4501291989664082,-0.0828267477203647,V21,VA21,1.43401,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,2.0,0.0,4.0,1.0,0.052229765659714884,Destabilising,-1.866,Destabilising,-0.31815856777493606,9,0.0517241379310344,-,loop,1.7666666666666668,4.94,VAL,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,147/150,T:V:C:I,60,0.631578947368421,80,effect,pnca_p.val21ala,0.0001437401178668,1.57903938912402,4.85029432717736,0.264247566376722,1.41439286276584,1.11640791656443,0.191756076673664,122.683760399233,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-1.79,-0.468586387434555,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V21I,V,21,I,A,PZA,6.521,-0.748,Destabilising,-0.188,Destabilising,-0.19328165374677,-0.0476190476190476,V21,VA21,-0.568333,-14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,-2.0,-2.0,-0.10926959163270014,Stabilising,-0.271,Destabilising,-0.04620630861040068,9,0.0517241379310344,-,loop,1.7666666666666668,4.94,VAL,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,147/150,T:V:C:I,30,0.3157894736842105,66,effect,,,,,,,,,,,,,,,,,,,-0.56,-0.1465968586387434,Destabilising,ILE,0,pnca_complex.pdb
|
||||
T22P,T,22,P,A,PZA,11.195,0.063,Stabilising,-0.353,Destabilising,0.0535714285714285,-0.0894123606889564,T22,TA22,-1.50027,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,-0.28844689686995306,Stabilising,0.006,Stabilising,0.005067567567567568,127,0.7383720930232558,T,loop,1.0333333333333334,3.6,THR,1.546,0.49551282051282053,1,1,0.842,1.712,2:1,147/150,T:A:S:G:P:D:H:E:Q:N:K:I:R,-77,-0.8279569892473119,87,neutral,,,,,,,,,,,,,,,,,,,-0.0,-0.0,Stabilising,PRO,0,pnca_complex.pdb
|
||||
T22A,T,22,A,A,PZA,11.195,0.118,Stabilising,-0.361,Destabilising,0.1003401360544217,-0.0914387031408308,T22,TA22,-0.193269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,1.0,-0.03715854033684534,Stabilising,0.057,Stabilising,0.04814189189189189,127,0.7383720930232558,T,loop,1.0333333333333334,3.6,THR,1.546,0.49551282051282053,1,1,0.842,1.712,2:1,147/150,T:A:S:G:P:D:H:E:Q:N:K:I:R,-93,-1.0,97,neutral,,,,,,,,,,,,,,,,,,,-0.37,-0.0968586387434555,Destabilising,ALA,0,pnca_complex.pdb
|
||||
G23V,G,23,V,A,PZA,11.963,-0.7809999999999999,Destabilising,-0.147,Destabilising,-0.2018087855297157,-0.0372340425531914,G23,GA23,2.85361,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,0.0,-2.0,0.0,-5.0,-13.0,0.10393468775267886,Destabilising,-2.833,Destabilising,-0.4830349531116795,28,0.2692307692307692,T,loop,-0.5,3.83,GLY,0.492,0.1576923076923077,3,3,0.083,0.59,5:3,147/150,G:D:H:Y:E:Q:N:R:K,53,0.5578947368421052,75,effect,pnca_p.gly23val,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987751,,4692673.51081314,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.41,-0.369109947643979,Destabilising,VAL,0,pnca_complex.pdb
|
||||
G24S,G,24,S,A,PZA,10.19,-1.524,Destabilising,-0.034,Destabilising,-0.3937984496124031,-0.008611955420466,G24,GA24,-0.205598,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-6.0,-4.0,-4.0,0.0,-9.0,-17.0,-0.03952895485657156,Stabilising,-2.078,Destabilising,-0.35430520034100593,0,0.0,H,helix,0.3333333333333333,5.96,GLY,-0.971,-0.799835255354201,9,9,-1.094,-0.914,9:8,147/150,G:S:A,41,0.43157894736842106,71,effect,pnca_p.gly24ser,7.18700589334483e-05,12.1451538387267,188179.926264687,0.919026337424243,119.468044436249,0.101660271548244,5.01153666061174e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.03,-0.2696335078534032,Destabilising,SER,0,pnca_complex.pdb
|
||||
G24R,G,24,R,A,PZA,10.19,-1.19,Destabilising,-0.978,Destabilising,-0.3074935400516795,-0.2477203647416413,G24,GA24,6.837089999999999,-64.0,-30.0,0.0,0.0,-30.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-9.0,0.0,-3.0,-11.0,-14.0,0.0,-17.0,-29.0,0.24902170033289867,Destabilising,-3.44,Destabilising,-0.5865302642796248,0,0.0,H,helix,0.3333333333333333,5.96,GLY,-0.971,-0.799835255354201,9,9,-1.094,-0.914,9:8,147/150,G:S:A,82,0.8631578947368421,91,effect,pnca_p.gly24arg,7.18700589334483e-05,12.1451538387262,188179.926264595,0.919026337424226,119.468044436218,0.101660271548266,5.01153666064e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.67,-0.175392670157068,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G24D,G,24,D,A,PZA,10.19,-2.197,Destabilising,1.138,Stabilising,-0.5677002583979328,0.5103139013452914,G24,GA24,4.32448,-20.0,-28.0,0.0,0.0,-28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-10.0,0.0,-6.0,-6.0,-6.0,0.0,-9.0,-23.0,0.15750697484684476,Destabilising,-3.803,Destabilising,-0.6484228473998295,0,0.0,H,helix,0.3333333333333333,5.96,GLY,-0.971,-0.799835255354201,9,9,-1.094,-0.914,9:8,147/150,G:S:A,80,0.8421052631578947,91,effect,pnca_p.gly24asp,0.0005030904125341,3.37290329402598,29.1630732435189,0.001789077082818,1.07995768762031,3.12318096596746,4.97876379054099,550.894323519243,29.1630847029077,1.46483345924118,29.1293325978315,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,18.6717493808583,1.55265977742841e-05,-1.77,-0.4633507853403141,Destabilising,ASP,0,pnca_complex.pdb
|
||||
G24V,G,24,V,A,PZA,10.19,-0.186,Destabilising,-1.361,Destabilising,-0.0480620155038759,-0.3447315096251266,G24,GA24,2.33197,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-7.0,-6.0,-6.0,0.0,-11.0,-23.0,0.0849354234806489,Destabilising,-2.591,Destabilising,-0.4417732310315431,0,0.0,H,helix,0.3333333333333333,5.96,GLY,-0.971,-0.799835255354201,9,9,-1.094,-0.914,9:8,147/150,G:S:A,70,0.7368421052631579,85,effect,pnca_p.gly24val,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253632,119.46804443549,-0.0752285585987761,,4692673.51081173,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.1,-0.2879581151832461,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A25V,A,25,V,A,PZA,12.121,-0.514,Destabilising,-0.995,Destabilising,-0.1328165374677002,-0.2520263424518744,A25,AA25,-0.280715,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,-1.0,0.0,0.0,0.0,3.0,-0.053971198954087515,Stabilising,-0.778,Destabilising,-0.13265132139812447,26,0.2015503875968992,H,helix,1.0666666666666669,4.5,ALA,-0.242,-0.19934102141680396,6,6,-0.411,-0.147,7:6,147/150,R:K:N:H:E:Y:D:T:S:G:A,-66,-0.7096774193548387,82,neutral,,,,,,,,,,,,,,,,,,,-0.65,-0.1701570680628272,Destabilising,VAL,0,pnca_complex.pdb
|
||||
L27P,L,27,P,A,PZA,9.548,-1.624,Destabilising,-1.558,Destabilising,-0.4196382428940569,-0.3946301925025329,L27,LA27,4.6599,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,4.0,-4.0,-2.0,2.0,0.0,6.0,2.0,0.16972370136728854,Destabilising,-3.919,Destabilising,-0.6682011935208866,11,0.0547263681592039,H,helix,2.466666666666667,5.14,LEU,-0.385,-0.3171334431630972,6,6,-0.553,-0.332,7:6,147/150,R:C:I:V:L:T:M,71,0.7473684210526316,85,effect,pnca_p.leu27pro,0.0007187005893344,2.96819421438473,19.4567531291168,0.000173451696941,0.790498020917702,3.75484079130129,4.8718075812224,128.958907982956,19.4567692956558,1.28907072937786,19.4480067941443,2.34381123661905e-05,4.63007736799346,3.87828374077737,187.779865627687,23.6697146258566,1.14368245582331e-06,-1.07,-0.2801047120418848,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L27R,L,27,R,A,PZA,9.548,-0.738,Destabilising,-1.016,Destabilising,-0.1906976744186046,-0.2573454913880446,L27,LA27,2.15593,-46.0,-20.0,0.0,-2.0,-18.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,-1.0,0.0,0.0,2.0,4.0,0.07852366348822472,Destabilising,-3.558,Destabilising,-0.6066496163682864,11,0.0547263681592039,H,helix,2.466666666666667,5.14,LEU,-0.385,-0.3171334431630972,6,6,-0.553,-0.332,7:6,147/150,R:C:I:V:L:T:M,69,0.7263157894736842,80,effect,pnca_p.leu27arg,0.0001437401178668,1.57903938912402,4.85029432717734,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673649,122.683760399218,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-0.1,-0.0261780104712041,Destabilising,ARG,0,pnca_complex.pdb
|
||||
L27Q,L,27,Q,A,PZA,9.548,-1.081,Destabilising,0.134,Stabilising,-0.279328165374677,0.0600896860986547,L27,LA27,2.24048,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-10.0,0.0,-6.0,-4.0,2.0,0.0,2.0,-2.0,0.08160315853116645,Destabilising,-3.309,Destabilising,-0.5641943734015346,11,0.0547263681592039,H,helix,2.466666666666667,5.14,LEU,-0.385,-0.3171334431630972,6,6,-0.553,-0.332,7:6,147/150,R:C:I:V:L:T:M,45,0.47368421052631576,71,effect,,,,,,,,,,,,,,,,,,,-0.81,-0.2120418848167539,Destabilising,GLN,0,pnca_complex.pdb
|
||||
A28T,A,28,T,A,PZA,12.7,-1.901,Destabilising,-0.289,Destabilising,-0.4912144702842377,-0.0732016210739615,A28,AA28,-0.611286,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-2.0,-6.0,-8.0,0.0,-4.0,-5.0,-0.117527878181958,Stabilising,-2.577,Destabilising,-0.439386189258312,0,0.0,H,helix,0.3666666666666666,6.48,ALA,-0.564,-0.4645799011532125,7,7,-0.728,-0.485,8:7,147/150,P:A:I:V:L,41,0.43157894736842106,71,effect,,,,,,,,,,,,,,,,,,,-1.74,-0.4554973821989529,Destabilising,THR,0,pnca_complex.pdb
|
||||
A28D,A,28,D,A,PZA,12.7,-2.8,Destabilising,0.5539999999999999,Stabilising,-0.7235142118863048,0.2484304932735425,A28,AA28,3.01687,-8.0,-52.0,0.0,0.0,-52.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,-4.0,0.0,0.0,0.0,0.0,-7.0,0.0,-3.0,-2.0,-8.0,0.0,-10.0,-5.0,0.10988097232643011,Destabilising,-4.44,Destabilising,-0.7570332480818415,0,0.0,H,helix,0.3666666666666666,6.48,ALA,-0.564,-0.4645799011532125,7,7,-0.728,-0.485,8:7,147/150,P:A:I:V:L,67,0.7052631578947368,80,effect,pnca_p.ala28asp,7.18700589334483e-05,12.1451538387266,188179.926264663,0.91902633742424,119.468044436242,0.101660271548249,5.01153666061778e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.38,-0.3612565445026178,Destabilising,ASP,0,pnca_complex.pdb
|
||||
A30V,A,30,V,A,PZA,16.46,-0.401,Destabilising,-0.846,Destabilising,-0.1036175710594315,-0.2142857142857142,A30,AA30,-0.154342,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-5.0,-4.0,0.0,0.0,0.0,-3.0,-0.02967430592940091,Stabilising,-0.442,Destabilising,-0.07536231884057971,37,0.2868217054263566,H,helix,0.6,3.88,ALA,1.207,0.3868589743589744,1,1,0.59,1.183,3:1,147/150,Q:E:Y:K:I:R:V:L:N:P:M:A:G:T:D,-76,-0.8172043010752689,87,neutral,pnca_p.ala30val,7.18700589334483e-05,12.1451538387263,188179.9262646,0.919026337424228,119.468044436221,0.101660271548264,5.01153666063734e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.7,-0.1832460732984293,Destabilising,VAL,0,pnca_complex.pdb
|
||||
I31T,I,31,T,A,PZA,11.654000000000002,-3.12,Destabilising,-0.358,Destabilising,-0.8062015503875969,-0.0906788247213779,I31,IA31,3.06922,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-5.0,0.0,2.0,0.0,2.0,0.0,0.11178767327850582,Destabilising,-3.102,Destabilising,-0.5289002557544756,0,0.0,H,helix,1.8333333333333333,6.99,ILE,-0.562,-0.4629324546952225,7,7,-0.728,-0.485,8:7,147/150,I:L:V:T:A,62,0.6526315789473685,80,effect,pnca_p.ile31thr,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987758,,4692673.51081066,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-3.05,-0.7984293193717278,Destabilising,THR,0,pnca_complex.pdb
|
||||
I31S,I,31,S,A,PZA,11.654000000000002,-3.608,Destabilising,-0.3289999999999999,Destabilising,-0.9322997416020672,-0.0833333333333333,I31,IA31,4.81248,28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,2.0,0.1752809970935103,Destabilising,-3.395,Destabilising,-0.5788576300085251,0,0.0,H,helix,1.8333333333333333,6.99,ILE,-0.562,-0.4629324546952225,7,7,-0.728,-0.485,8:7,147/150,I:L:V:T:A,60,0.631578947368421,80,effect,pnca_p.ile31ser,0.0004312203536006,14.1472939191279,1393450.94022095,0.915018435774967,132.576060676205,0.106710773023195,4.17896182050295,,58.3312262958281,1.7659011066874,inf,2.48532104922106e-05,4.60461750194108,5.71767556863798,inf,23.547488635408,1.21868387173808e-06,-3.34,-0.8743455497382199,Destabilising,SER,0,pnca_complex.pdb
|
||||
S32I,S,32,I,A,PZA,16.787,0.018,Stabilising,-1.207,Destabilising,0.0153061224489795,-0.3057244174265451,S32,SA32,0.86851,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,-3.0,0.0,0.0,0.0,0.0,0.031633024716089135,Destabilising,-0.677,Destabilising,-0.1154305200341006,7,0.0451612903225806,T,loop,0.0666666666666666,4.62,SER,-0.647,-0.5329489291598023,7,7,-0.779,-0.553,8:7,147/150,D:T:S:G:A:V:N:R:Q,29,0.30526315789473685,63,effect,pnca_p.ser32ile,7.18700589334483e-05,12.1451538387266,188179.926264664,0.919026337424239,119.468044436241,0.101660271548249,5.01153666061844e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.41,-0.1073298429319371,Destabilising,ILE,0,pnca_complex.pdb
|
||||
S32G,S,32,G,A,PZA,16.787,-0.875,Destabilising,-1.334,Destabilising,-0.2260981912144702,-0.3378926038500506,S32,SA32,0.0485615999999999,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,2.0,0.0,5.0,17.0,0.0017687191777329345,Destabilising,-0.992,Destabilising,-0.1691389599317988,7,0.0451612903225806,T,loop,0.0666666666666666,4.62,SER,-0.647,-0.5329489291598023,7,7,-0.779,-0.553,8:7,147/150,D:T:S:G:A:V:N:R:Q,-32,-0.34408602150537637,66,neutral,,,,,,,,,,,,,,,,,,,-0.43,-0.112565445026178,Destabilising,GLY,0,pnca_complex.pdb
|
||||
D33V,D,33,V,A,PZA,20.313,0.276,Stabilising,-0.795,Destabilising,0.2346938775510204,-0.2013677811550152,D33,DA33,1.48114,4.0,14.0,0.0,2.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.05394634284923404,Destabilising,-0.022,Destabilising,-0.0037510656436487637,77,0.3989637305699481,T,loop,-1.8666666666666665,3.72,ASP,1.213,0.3887820512820513,1,1,0.842,1.183,2:1,147/150,N:L:V:K:R:H:E:Q:D:T:A:S:G,-5,-0.053763440860215055,53,neutral,pnca_p.asp33val,7.18700589334483e-05,12.1451538387263,188179.9262646,0.919026337424228,119.468044436221,0.101660271548264,5.01153666063734e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.3,-0.0785340314136125,Destabilising,VAL,0,pnca_complex.pdb
|
||||
Y34C,Y,34,C,A,PZA,18.259,-1.829,Destabilising,-0.635,Destabilising,-0.472609819121447,-0.1608409321175278,Y34,YA34,1.92562,48.0,10.0,0.0,2.0,8.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,6.0,0.0,2.0,6.0,0.07013527196439369,Destabilising,-0.861,Destabilising,-0.14680306905370843,26,0.0988593155893536,T,loop,-0.3333333333333334,4.65,TYR,0.42,0.1346153846153846,3,3,0.083,0.59,5:3,147/150,M:A:W:Y:E:F:H:Q:V:L:R:C:I,-2,-0.021505376344086023,53,neutral,,,,,,,,,,,,,,,,,,,-1.94,-0.5078534031413613,Destabilising,CYS,0,pnca_complex.pdb
|
||||
Y34D,Y,34,D,A,PZA,18.259,-1.857,Destabilising,0.124,Stabilising,-0.47984496124031,0.0556053811659192,Y34,YA34,2.0881,38.0,-18.0,0.0,0.0,-18.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,8.0,0.0,2.0,6.0,0.07605314724029166,Destabilising,-1.484,Destabilising,-0.2530264279624893,26,0.0988593155893536,T,loop,-0.3333333333333334,4.65,TYR,0.42,0.1346153846153846,3,3,0.083,0.59,5:3,147/150,M:A:W:Y:E:F:H:Q:V:L:R:C:I,30,0.3157894736842105,66,effect,pnca_p.tyr34asp,0.0005749604714675,2.6796663501904,14.5802277940117,0.0010245352377104,0.816050632122416,3.28370108999367,3.35697961122125,99.553869259241,14.5802781289507,1.16376580853041,14.5801759034061,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,15.0663448164144,0.0001037975122989,-1.99,-0.5209424083769634,Destabilising,ASP,0,pnca_complex.pdb
|
||||
Y34S,Y,34,S,A,PZA,18.259,-3.224,Destabilising,-0.316,Destabilising,-0.8330749354005167,-0.0800405268490375,Y34,YA34,0.32836,48.0,10.0,0.0,2.0,8.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,10.0,0.0,2.0,10.0,0.011959585952694876,Destabilising,-1.692,Destabilising,-0.28849104859335034,26,0.0988593155893536,T,loop,-0.3333333333333334,4.65,TYR,0.42,0.1346153846153846,3,3,0.083,0.59,5:3,147/150,M:A:W:Y:E:F:H:Q:V:L:R:C:I,13,0.1368421052631579,59,effect,pnca_p.tyr34ser,0.0001437401178668,-9.98752126245062,4.5970013133425e-05,0.942832958100734,139.277183325398,-0.071709672926946,,144471.706314878,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-3.31,-0.8664921465968587,Destabilising,SER,0,pnca_complex.pdb
|
||||
L35R,L,35,R,A,PZA,17.42,-1.493,Destabilising,-0.653,Destabilising,-0.3857881136950905,-0.1654002026342452,L35,LA35,-2.11958,-30.0,-32.0,0.0,-2.0,-30.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-6.0,-2.0,-2.0,0.0,-8.0,-2.0,-0.4075174959624702,Stabilising,-2.016,Destabilising,-0.34373401534526854,35,0.1741293532338308,T,loop,1.4333333333333331,4.69,LEU,0.183,0.058653846153846154,4,4,-0.038,0.389,5:4,147/150,G:A:S:M:T:Q:V:L:I,64,0.6736842105263158,80,effect,pnca_p.leu35arg,0.0025873221216041,-1.25661854335884,0.28461481380629,0.0842996990557667,0.727940577686249,-1.72626527752167,0.0461651045270816,0.934717733973448,0.284614813531639,-0.545742499657136,0.284630509244736,0.0746087863378038,1.1272100246275,0.033101827382896,1.11162498496942,2.62510215004498,0.105185735611338,-0.88,-0.2303664921465968,Destabilising,ARG,0,pnca_complex.pdb
|
||||
L35P,L,35,P,A,PZA,17.42,-2.0540000000000003,Destabilising,-0.954,Destabilising,-0.530749354005168,-0.2416413373860182,L35,LA35,8.91998,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-5.0,1.0,8.0,0.0,0.0,8.0,0.3248850880324012,Destabilising,-2.108,Destabilising,-0.35942028985507246,35,0.1741293532338308,T,loop,1.4333333333333331,4.69,LEU,0.183,0.058653846153846154,4,4,-0.038,0.389,5:4,147/150,G:A:S:M:T:Q:V:L:I,82,0.8631578947368421,91,effect,pnca_p.leu35pro,0.0005749604714675,1.58004161593687,4.85515785897614,0.0255237229775361,0.70746570614631,2.23338262506551,1.14726850666833,20.5466864308597,4.85515789473684,0.686203358177678,4.85442845338892,0.033386534669467,1.47642865587913,0.903495684237988,26.0627135254866,4.01139112494925,0.0451938468216249,-1.48,-0.387434554973822,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L35M,L,35,M,A,PZA,17.42,-1.162,Destabilising,-1.12,Destabilising,-0.3002583979328165,-0.2836879432624113,L35,LA35,-0.61263,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,2.0,0.0,-2.0,2.0,-0.11778628008921019,Stabilising,-0.928,Destabilising,-0.15822676896845694,35,0.1741293532338308,T,loop,1.4333333333333331,4.69,LEU,0.183,0.058653846153846154,4,4,-0.038,0.389,5:4,147/150,G:A:S:M:T:Q:V:L:I,-4,-0.043010752688172046,53,neutral,,,,,,,,,,,,,,,,,,,-0.38,-0.0994764397905759,Destabilising,MET,0,pnca_complex.pdb
|
||||
E37V,E,37,V,A,PZA,24.08,-0.033,Destabilising,-0.519,Destabilising,-0.0085271317829457,-0.1314589665653495,E37,EA37,0.085964,12.0,18.0,0.0,2.0,16.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-2.0,1.0,2.0,0.0,2.0,-2.0,0.0031309960008449943,Destabilising,-0.065,Destabilising,-0.011082693947144074,138,0.6188340807174888,S,loop,0.0333333333333333,3.58,GLU,2.736,0.8769230769230769,1,1,1.183,3.125,1:1,95/150,F:E:Q:V:N:L:I:R:T:W:H:Y:M:G:A:S:P:D,-32,-0.34408602150537637,66,neutral,pnca_p.glu37val,7.18700589334483e-05,-8.9874087814964,0.0001249735077034,0.940032862253632,119.468044435489,-0.0752285585987761,,4692673.51081157,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.26,-0.0680628272251308,Destabilising,VAL,0,pnca_complex.pdb
|
||||
Y41D,Y,41,D,A,PZA,19.063,-2.11,Destabilising,-0.298,Destabilising,-0.545219638242894,-0.0754812563323201,Y41,YA41,5.35024,36.0,-28.0,0.0,-4.0,-24.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,4.0,4.0,0.0,0.0,4.0,0.194867386854508,Destabilising,-3.198,Destabilising,-0.5452685421994885,35,0.1330798479087452,-,loop,-2.6666666666666665,4.97,TYR,-0.477,-0.3929159802306425,7,7,-0.674,-0.411,7:7,147/150,L:N:R:F:H:Y:W:A:G,70,0.7368421052631579,85,effect,pnca_p.tyr41asp,7.18700589334483e-05,12.1451538387252,188179.926264407,0.919026337424193,119.468044436159,0.101660271548308,5.01153666069528e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.85,-0.4842931937172775,Destabilising,ASP,0,pnca_complex.pdb
|
||||
Y41C,Y,41,C,A,PZA,19.063,-1.057,Destabilising,-1.07,Destabilising,-0.2731266149870801,-0.2710233029381966,Y41,YA41,4.03027,46.0,8.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,4.0,10.0,0.0,2.0,10.0,0.1467912062296491,Destabilising,-1.836,Destabilising,-0.3130434782608696,35,0.1330798479087452,-,loop,-2.6666666666666665,4.97,TYR,-0.477,-0.3929159802306425,7,7,-0.674,-0.411,7:7,147/150,L:N:R:F:H:Y:W:A:G,37,0.3894736842105263,66,effect,pnca_p.tyr41cys,7.18700589334483e-05,-8.98740878149643,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987739,,4692673.51081287,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.19,0.1067415730337078,Stabilising,CYS,0,pnca_complex.pdb
|
||||
H43D,H,43,D,A,PZA,19.543,-1.596,Destabilising,-0.912,Destabilising,-0.4124031007751937,-0.2310030395136778,H43,HA43,3.54222,6.0,-24.0,0.0,-2.0,-22.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-6.0,0.0,0.0,0.0,0.0,0.1290153628741468,Destabilising,-0.971,Destabilising,-0.16555839727195226,40,0.1785714285714285,E,strand,-0.7333333333333334,4.75,HIS,1.071,0.3432692307692307,1,1,0.59,1.183,3:1,147/150,Y:F:H:Q:L:N:V:R:I:C:A:M:T:P:D,27,0.28421052631578947,63,effect,pnca_p.his43asp,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987746,,4692673.51081392,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.78,-0.4659685863874346,Destabilising,ASP,0,pnca_complex.pdb
|
||||
H43Y,H,43,Y,A,PZA,19.543,0.984,Stabilising,-1.341,Destabilising,0.8367346938775512,-0.3396656534954407,H43,HA43,-0.653353,-22.0,-6.0,0.0,-2.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,-1.0,0.0,-2.0,0.0,4.0,0.0,-2.0,2.0,-0.12561581942628625,Stabilising,-0.455,Destabilising,-0.07757885763000852,40,0.1785714285714285,E,strand,-0.7333333333333334,4.75,HIS,1.071,0.3432692307692307,1,1,0.59,1.183,3:1,147/150,Y:F:H:Q:L:N:V:R:I:C:A:M:T:P:D,-33,-0.3548387096774194,66,neutral,,,,,,,,,,,,,,,,,,,1.37,0.7696629213483147,Stabilising,TYR,0,pnca_complex.pdb
|
||||
H43P,H,43,P,A,PZA,19.543,-0.892,Destabilising,-1.878,Destabilising,-0.2304909560723514,-0.4756838905775076,H43,HA43,2.10447,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-4.0,2.0,-3.0,-4.0,4.0,0.0,4.0,-4.0,0.07664937827344313,Destabilising,-1.154,Destabilising,-0.19676044330775785,40,0.1785714285714285,E,strand,-0.7333333333333334,4.75,HIS,1.071,0.3432692307692307,1,1,0.59,1.183,3:1,147/150,Y:F:H:Q:L:N:V:R:I:C:A:M:T:P:D,30,0.3157894736842105,66,effect,,,,,,,,,,,,,,,,,,,0.4,0.2247191011235955,Stabilising,PRO,0,pnca_complex.pdb
|
||||
V44A,V,44,A,A,PZA,17.073,-2.343,Destabilising,-1.246,Destabilising,-0.6054263565891472,-0.3156028368794326,V44,VA44,3.40395,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.12397926849700246,Destabilising,-1.839,Destabilising,-0.3135549872122762,13,0.0747126436781609,E,strand,1.7333333333333334,5.57,VAL,-0.194,-0.1598023064250412,6,6,-0.411,-0.038,7:5,149/150,T:A:Q:C:R:I:L:V,57,0.6,75,effect,pnca_p.val44ala,7.18700589334483e-05,12.1451538387265,188179.926264644,0.919026337424235,119.468044436235,0.101660271548254,5.01153666062486e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.01,-0.5261780104712042,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V44G,V,44,G,A,PZA,17.073,-2.975,Destabilising,-1.136,Destabilising,-0.7687338501291989,-0.2877406281661601,V44,VA44,5.19527,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,4.0,0.0,5.0,19.0,0.1892230421258896,Destabilising,-3.88,Destabilising,-0.6615515771526002,13,0.0747126436781609,E,strand,1.7333333333333334,5.57,VAL,-0.194,-0.1598023064250412,6,6,-0.411,-0.038,7:5,149/150,T:A:Q:C:R:I:L:V,74,0.7789473684210526,85,effect,pnca_p.val44gly,0.0005030904125341,2.4969239337312,12.1450773794064,0.0028293218857323,0.83629495944555,2.98569769616526,2.61610833082893,84.8371270838078,12.1451137320977,1.08440158608155,12.1416664151504,0.0022516005975125,2.64750864476206,1.98635523014012,127.719946645636,11.0019205274607,0.0009101752788745,-2.43,-0.6361256544502618,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V45E,V,45,E,A,PZA,13.521,-3.389,Destabilising,-1.5930000000000002,Destabilising,-0.8757105943152454,-0.4034954407294833,V45,VA45,4.7083900000000005,-32.0,-34.0,0.0,-2.0,-32.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,-1.0,0.0,0.0,0.0,0.0,0.17148981271716726,Destabilising,-4.817,Destabilising,-0.8213128729752771,0,0.0,E,strand,3.4,8.66,VAL,-0.375,-0.3088962108731466,6,6,-0.553,-0.244,7:6,149/150,F:A:Y:M:I:V:L,80,0.8421052631578947,91,effect,,,,,,,,,,,,,,,,,,,-1.92,-0.5026178010471204,Destabilising,GLU,0,pnca_complex.pdb
|
||||
V45G,V,45,G,A,PZA,13.521,-3.523,Destabilising,-1.938,Destabilising,-0.9103359173126616,-0.4908814589665654,V45,VA45,5.16465,10.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,1.0,4.0,0.0,5.0,25.0,0.1881077950742648,Destabilising,-3.509,Destabilising,-0.5982949701619777,0,0.0,E,strand,3.4,8.66,VAL,-0.375,-0.3088962108731466,6,6,-0.553,-0.244,7:6,149/150,F:A:Y:M:I:V:L,80,0.8421052631578947,91,effect,pnca_p.val45gly,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987741,,4692673.51081481,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-3.55,-0.9293193717277488,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V45A,V,45,A,A,PZA,13.521,-2.783,Destabilising,-2.228,Destabilising,-0.7191214470284237,-0.5643363728470112,V45,VA45,3.60576,6.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,2.0,0.0,0.0,7.0,0.13132962798388684,Destabilising,-1.973,Destabilising,-0.3364023870417732,0,0.0,E,strand,3.4,8.66,VAL,-0.375,-0.3088962108731466,6,6,-0.553,-0.244,7:6,149/150,F:A:Y:M:I:V:L,39,0.4105263157894737,66,effect,pnca_p.val45ala,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987758,,4692673.5108122,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-2.23,-0.5837696335078534,Destabilising,ALA,0,pnca_complex.pdb
|
||||
A46E,A,46,E,A,PZA,11.322,-1.747,Destabilising,-1.749,Destabilising,-0.4514211886304909,-0.4430091185410335,A46,AA46,2.18089,-36.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,1.0,-5.0,-8.0,0.0,-8.0,-7.0,0.07943276101952958,Destabilising,-5.096,Destabilising,-0.8688832054560954,0,0.0,E,strand,1.7666666666666666,8.13,ALA,-0.822,-0.6771004942339374,8,8,-0.914,-0.779,8:8,149/150,Q:F:Y:I:V:L:T:A:S:G,79,0.8315789473684211,85,effect,pnca_p.ala46glu,7.18700589334483e-05,12.1451538387253,188179.926264417,0.919026337424195,119.468044436163,0.101660271548305,5.01153666069207e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.21,-0.3167539267015707,Destabilising,GLU,0,pnca_complex.pdb
|
||||
A46V,A,46,V,A,PZA,11.322,1.017,Stabilising,-2.718,Destabilising,0.8647959183673471,-0.6884498480243161,A46,AA46,-2.38862,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,1.0,-8.0,-2.0,0.0,2.0,-7.0,-0.4592440206106283,Stabilising,-1.487,Destabilising,-0.253537936913896,0,0.0,E,strand,1.7666666666666666,8.13,ALA,-0.822,-0.6771004942339374,8,8,-0.914,-0.779,8:8,149/150,Q:F:Y:I:V:L:T:A:S:G,59,0.6210526315789474,75,effect,pnca_p.ala46val,0.0004312203536006,2.27336112535402,9.7119892297561,0.0086576033028962,0.865947753893075,2.62528670480821,1.89450831676925,70.0912742677304,9.712,0.987308673731182,9.70929820233251,0.0095462527031996,2.02016707341074,1.39065774214338,107.435987551185,7.20065367726982,0.0072877030810549,0.44,0.247191011235955,Stabilising,VAL,0,pnca_complex.pdb
|
||||
A46P,A,46,P,A,PZA,11.322,-0.221,Destabilising,-2.408,Destabilising,-0.0571059431524547,-0.6099290780141844,A46,AA46,2.09234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-10.0,0.0,-8.0,-4.0,-2.0,0.0,0.0,-3.0,0.07620757726964794,Destabilising,-4.42,Destabilising,-0.753623188405797,0,0.0,E,strand,1.7666666666666666,8.13,ALA,-0.822,-0.6771004942339374,8,8,-0.914,-0.779,8:8,149/150,Q:F:Y:I:V:L:T:A:S:G,81,0.8526315789473684,91,effect,pnca_p.ala46pro,0.0001437401178668,13.1456002256206,511754.463552641,0.924803768447002,139.277183326574,0.0943844491369209,0.0001628371344451,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,0.65,0.3651685393258427,Stabilising,PRO,0,pnca_complex.pdb
|
||||
A46T,A,46,T,A,PZA,11.322,-1.192,Destabilising,-1.355,Destabilising,-0.3080103359173126,-0.3432117527862208,A46,AA46,-1.34478,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-2.0,-7.0,-2.0,0.0,-2.0,-3.0,-0.2585518726447743,Stabilising,-2.283,Destabilising,-0.38925831202046035,0,0.0,E,strand,1.7666666666666666,8.13,ALA,-0.822,-0.6771004942339374,8,8,-0.914,-0.779,8:8,149/150,Q:F:Y:I:V:L:T:A:S:G,-6,-0.06451612903225806,53,neutral,pnca_p.ala46thr,0.0001437401178668,1.57903938912402,4.85029432717733,0.264247566376724,1.41439286276584,1.11640791656443,0.191756076673846,122.683760398934,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-0.62,-0.1623036649214659,Destabilising,THR,0,pnca_complex.pdb
|
||||
T47N,T,47,N,A,PZA,7.502999999999999,-1.831,Destabilising,-0.208,Destabilising,-0.4731266149870801,-0.0526849037487335,T47,TA47,0.956982,-26.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,-1.0,-4.0,0.0,-6.0,2.0,0.034855367536185435,Destabilising,-5.182,Destabilising,-0.8835464620630862,0,0.0,E,strand,-0.9333333333333332,10.3,THR,-0.925,-0.7619439868204284,8,8,-1.028,-0.872,9:8,149/150,C:K:I:T:S,77,0.8105263157894737,85,effect,pnca_p.thr47asn,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987742,,4692673.51081218,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.29,-0.3376963350785341,Destabilising,ASN,0,pnca_complex.pdb
|
||||
T47I,T,47,I,A,PZA,7.502999999999999,-0.155,Destabilising,-2.112,Destabilising,-0.0400516795865633,-0.5349544072948329,T47,TA47,-1.0395,-32.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-2.0,0.0,-3.0,-1.0,2.0,0.0,0.0,4.0,-0.19985772514035224,Stabilising,-1.52,Destabilising,-0.2591645353793691,0,0.0,E,strand,-0.9333333333333332,10.3,THR,-0.925,-0.7619439868204284,8,8,-1.028,-0.872,9:8,149/150,C:K:I:T:S,72,0.7578947368421053,85,effect,pnca_p.thr47ile,0.0003593502946672,0.192485717774877,1.21225918982515,0.863268405978747,1.11770505415734,0.172215126932566,0.061955084955231,8.19905671742341,1.21225820016821,0.083595130527928,1.212214074125,1.0,0.0,0.0246053772172713,12.260612593354,7.1929763849897505e-25,0.999999999999323,-0.62,-0.1623036649214659,Destabilising,ILE,0,pnca_complex.pdb
|
||||
T47P,T,47,P,A,PZA,7.502999999999999,-1.493,Destabilising,-1.892,Destabilising,-0.3857881136950905,-0.4792299898682877,T47,TA47,1.93613,4.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,8.0,0.0,6.0,0.0,0.07051806904187821,Destabilising,-5.056,Destabilising,-0.8620630861040068,0,0.0,E,strand,-0.9333333333333332,10.3,THR,-0.925,-0.7619439868204284,8,8,-1.028,-0.872,9:8,149/150,C:K:I:T:S,87,0.9157894736842105,91,effect,pnca_p.thr47pro,0.0001437401178668,-9.98752126245062,4.5970013133425e-05,0.942832958100734,139.277183325398,-0.071709672926946,,144471.70631486,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-1.52,-0.3979057591623037,Destabilising,PRO,0,pnca_complex.pdb
|
||||
T47A,T,47,A,A,PZA,7.502999999999999,-1.71,Destabilising,-2.172,Destabilising,-0.441860465116279,-0.5501519756838905,T47,TA47,2.87617,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,6.0,0.0,4.0,2.0,12.0,0.0,6.0,9.0,0.10475637205981979,Destabilising,-2.276,Destabilising,-0.3880647911338448,0,0.0,E,strand,-0.9333333333333332,10.3,THR,-0.925,-0.7619439868204284,8,8,-1.028,-0.872,9:8,149/150,C:K:I:T:S,58,0.6105263157894737,75,effect,pnca_p.thr47ala,0.0008624407072013,1.58071061571228,4.85840704522462,0.0062231325401172,0.577790125858072,2.73578682807148,1.51864513964879,15.5428887748675,4.85840707964602,0.686493900966672,4.85767795624558,0.0089768751657447,2.04687481416212,1.29740576993775,18.1865471788576,6.99654790120219,0.0081667056971109,-0.77,-0.2015706806282722,Destabilising,ALA,0,pnca_complex.pdb
|
||||
K48E,K,48,E,A,PZA,7.546,-1.833,Destabilising,-1.91,Destabilising,-0.4736434108527132,-0.483789260385005,K48,KA48,2.3862,28.0,-28.0,0.0,0.0,-28.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.08691059812498635,Destabilising,-1.921,Destabilising,-0.32753623188405795,19,0.0805084745762711,E,strand,-2.7,6.78,LYS,-0.823,-0.6779242174629324,8,8,-0.914,-0.779,8:8,149/150,I:K:R:L:Q:A,53,0.5578947368421052,75,effect,pnca_p.lys48glu,0.000646830530401,1.80360630763137,6.07150374077153,0.00720618942243,0.671193623356544,2.68716245933892,1.60530087074952,24.5460966015952,6.07150379106992,0.783296270528047,6.07036843596735,0.0099794518593429,2.00089331252028,1.30550120941319,30.6177596174465,6.87801392972404,0.0087262477054536,-1.95,-0.5104712041884817,Destabilising,GLU,0,pnca_complex.pdb
|
||||
K48T,K,48,T,A,PZA,7.546,-1.92,Destabilising,-2.085,Destabilising,-0.4961240310077519,-0.5281155015197568,K48,KA48,2.8148,58.0,24.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,-1.0,2.0,0.0,0.0,4.0,-2.0,0.10252114307359465,Destabilising,0.126,Stabilising,0.10641891891891893,19,0.0805084745762711,E,strand,-2.7,6.78,LYS,-0.823,-0.6779242174629324,8,8,-0.914,-0.779,8:8,149/150,I:K:R:L:Q:A,63,0.6631578947368421,80,effect,pnca_p.lys48thr,0.0011499209429351,1.32955743902485,3.77937041554348,0.0083975040006128,0.504450465587511,2.6356550934617,1.34958413760038,10.1533105792859,3.77937043282743,0.577419461128044,3.77886521261346,0.0115372080052907,1.93789927736761,1.1946979725449,11.4155701668003,6.25531101162114,0.0123821507399189,-1.82,-0.4764397905759163,Destabilising,THR,0,pnca_complex.pdb
|
||||
K48Q,K,48,Q,A,PZA,7.546,-1.537,Destabilising,-1.653,Destabilising,-0.397157622739018,-0.418693009118541,K48,KA48,1.3897700000000002,28.0,24.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,1.0,2.0,0.0,2.0,-4.0,0.0506184485609598,Destabilising,-0.028,Destabilising,-0.004774083546462063,19,0.0805084745762711,E,strand,-2.7,6.78,LYS,-0.823,-0.6779242174629324,8,8,-0.914,-0.779,8:8,149/150,I:K:R:L:Q:A,-61,-0.6559139784946236,82,neutral,,,,,,,,,,,,,,,,,,,-1.89,-0.4947643979057591,Destabilising,GLN,0,pnca_complex.pdb
|
||||
K48N,K,48,N,A,PZA,7.546,-2.178,Destabilising,-1.168,Destabilising,-0.5627906976744186,-0.2958459979736575,K48,KA48,2.2078,46.0,24.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,1.0,2.0,0.0,0.0,-2.0,0.08041288179546763,Destabilising,-2.869,Destabilising,-0.48917306052855924,19,0.0805084745762711,E,strand,-2.7,6.78,LYS,-0.823,-0.6779242174629324,8,8,-0.914,-0.779,8:8,149/150,I:K:R:L:Q:A,67,0.7052631578947368,80,effect,pnca_p.lys48asn,0.0001437401178668,-9.9875212624506,4.59700131334259e-05,0.942832958100734,139.277183325398,-0.0717096729269463,,144471.706314829,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-1.86,-0.486910994764398,Destabilising,ASN,0,pnca_complex.pdb
|
||||
D49G,D,49,G,A,PZA,3.452,-1.157,Destabilising,-3.463,Destabilising,-0.2989664082687338,-0.8771529888551165,D49,DA49,0.460983,28.0,30.0,0.0,0.0,30.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,6.0,0.0,9.0,19.0,0.016790004297816855,Destabilising,-2.415,Destabilising,-0.4117647058823529,7,0.0362694300518134,E,strand,-1.5333333333333332,7.89,ASP,-1.188,-0.9785831960461285,9,9,-1.221,-1.178,9:9,149/150,T:D,83,0.8736842105263158,91,effect,pnca_p.asp49gly,0.0005030904125341,3.37290329402599,29.1630732435189,0.0017890770828182,1.07995768762032,3.12318096596744,4.97876379054023,550.894323518622,29.1630847029077,1.46483345924118,29.1293325978315,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,18.6717493808583,1.55265977742841e-05,-1.08,-0.2827225130890052,Destabilising,GLY,0,pnca_complex.pdb
|
||||
D49N,D,49,N,A,PZA,3.452,-1.6840000000000002,Destabilising,-1.932,Destabilising,-0.4351421188630491,-0.4893617021276595,D49,DA49,-0.334669,0.0,32.0,0.0,0.0,32.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-6.0,0.0,0.0,-6.0,-2.0,0.0,0.0,0.0,-0.064344574329001,Stabilising,-2.857,Destabilising,-0.4871270247229327,7,0.0362694300518134,E,strand,-1.5333333333333332,7.89,ASP,-1.188,-0.9785831960461285,9,9,-1.221,-1.178,9:9,149/150,T:D,76,0.8,85,effect,pnca_p.asp49asn,0.0005749604714675,14.148137089499,1394626.35223403,0.901927875940367,114.814237034002,0.123226330244298,82.9586021424457,,77.8405735976381,1.89120602753485,inf,7.2326389241213e-07,6.1407032156959,8.29603358299821,inf,33.1802749271012,8.399830460993881e-09,-1.45,-0.3795811518324607,Destabilising,ASN,0,pnca_complex.pdb
|
||||
D49A,D,49,A,A,PZA,3.452,-0.451,Destabilising,-3.3480000000000003,Destabilising,-0.1165374677002584,-0.8480243161094225,D49,DA49,-2.06724,20.0,28.0,0.0,0.0,28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,0.0,-5.0,0.0,0.0,2.0,3.0,-0.3974544335922479,Stabilising,-1.72,Destabilising,-0.2932651321398124,7,0.0362694300518134,E,strand,-1.5333333333333332,7.89,ASP,-1.188,-0.9785831960461285,9,9,-1.221,-1.178,9:9,149/150,T:D,73,0.7684210526315789,85,effect,pnca_p.asp49ala,0.0004312203536006,14.1472939191285,1393450.9402217,0.915018435774987,132.576060676241,0.106710773023171,4.17896182049081,,58.3312262958281,1.7659011066874,inf,2.48532104922106e-05,4.60461750194108,5.71767556863798,inf,23.547488635408,1.21868387173808e-06,-1.56,-0.4083769633507854,Destabilising,ALA,0,pnca_complex.pdb
|
||||
D49E,D,49,E,A,PZA,3.452,-0.472,Destabilising,0.251,Stabilising,-0.1219638242894056,0.1125560538116591,D49,DA49,-0.696543,-22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-6.0,-10.0,0.0,-6.0,-8.0,-0.13391967238329616,Stabilising,-2.35,Destabilising,-0.40068201193520886,7,0.0362694300518134,E,strand,-1.5333333333333332,7.89,ASP,-1.188,-0.9785831960461285,9,9,-1.221,-1.178,9:9,149/150,T:D,75,0.7894736842105263,85,effect,pnca_p.asp49glu,0.0002156101768003,2.27260607808817,9.70465898653052,0.0634455902260897,1.22442760158496,1.8560559033024,0.929172866365932,208.881603004782,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-0.28,-0.0732984293193717,Destabilising,GLU,0,pnca_complex.pdb
|
||||
D49Y,D,49,Y,A,PZA,3.452,-0.7390000000000001,Destabilising,-1.855,Destabilising,-0.1909560723514212,-0.4698581560283688,D49,DA49,-2.66914,-42.0,20.0,0.0,0.0,20.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-14.0,0.0,-4.0,-10.0,-14.0,0.0,-12.0,-12.0,-0.5131777282165654,Stabilising,-0.988,Destabilising,-0.16845694799658995,7,0.0362694300518134,E,strand,-1.5333333333333332,7.89,ASP,-1.188,-0.9785831960461285,9,9,-1.221,-1.178,9:9,149/150,T:D,85,0.8947368421052632,91,effect,pnca_p.asp49tyr,7.18700589334483e-05,12.1451538387266,188179.926264654,0.919026337424238,119.468044436239,0.10166027154825,5.0115366606202e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.64,-0.4293193717277487,Destabilising,TYR,0,pnca_complex.pdb
|
||||
H51P,H,51,P,A,PZA,5.6610000000000005,-1.7619999999999998,Destabilising,-2.624,Destabilising,-0.4552971576227389,-0.6646403242147922,H51,HA51,2.82591,28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,2.0,4.0,0.0,6.0,2.0,0.10292579345712016,Destabilising,-1.529,Destabilising,-0.2606990622335891,1,0.0044642857142857,B,strand,1.3666666666666665,6.97,HIS,-1.189,-0.9794069192751236,9,9,-1.221,-1.178,9:9,149/150,H:Y,82,0.8631578947368421,91,effect,pnca_p.his51pro,0.0002156101768003,0.885806606247285,2.42493957425811,0.469406216824825,1.22442753211922,0.723445514749364,0.112662937620387,25.3270547471172,2.42493692178301,0.384700446081433,2.42473736947533,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,4.31445715363782e-25,0.999999999999476,-0.98,-0.256544502617801,Destabilising,PRO,0,pnca_complex.pdb
|
||||
H51N,H,51,N,A,PZA,5.6610000000000005,-2.215,Destabilising,-1.063,Destabilising,-0.5723514211886305,-0.2692502532928065,H51,HA51,1.03208,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,2.0,0.0,0.03759060016462824,Destabilising,-2.201,Destabilising,-0.3752770673486786,1,0.0044642857142857,B,strand,1.3666666666666665,6.97,HIS,-1.189,-0.9794069192751236,9,9,-1.221,-1.178,9:9,149/150,H:Y,70,0.7368421052631579,85,effect,,,,,,,,,,,,,,,,,,,-1.83,-0.4790575916230367,Destabilising,ASN,0,pnca_complex.pdb
|
||||
H51Q,H,51,Q,A,PZA,5.6610000000000005,-1.714,Destabilising,-1.42,Destabilising,-0.4428940568475452,-0.3596757852077001,H51,HA51,-1.10489,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,-6.0,0.0,-2.0,-4.0,-0.21242982388679535,Stabilising,-1.18,Destabilising,-0.2011935208866155,1,0.0044642857142857,B,strand,1.3666666666666665,6.97,HIS,-1.189,-0.9794069192751236,9,9,-1.221,-1.178,9:9,149/150,H:Y,65,0.6842105263157895,80,effect,pnca_p.his51gln,0.0004312203536006,3.19016080361872,24.29233342416,0.0035954281300595,1.09565968954934,2.91163472932995,3.91551977432275,465.531063220863,24.2923336141533,1.38546923679232,24.2833096922897,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,14.1977442691074,0.0001645676755807,-1.75,-0.4581151832460733,Destabilising,GLN,0,pnca_complex.pdb
|
||||
H51D,H,51,D,A,PZA,5.6610000000000005,-2.198,Destabilising,-1.821,Destabilising,-0.5679586563307494,-0.4612462006079027,H51,HA51,4.34022,16.0,-28.0,0.0,0.0,-28.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,2.0,0.0,4.0,4.0,0.1580802599086532,Destabilising,-1.814,Destabilising,-0.3092924126172208,1,0.0044642857142857,B,strand,1.3666666666666665,6.97,HIS,-1.189,-0.9794069192751236,9,9,-1.221,-1.178,9:9,149/150,H:Y,82,0.8631578947368421,91,effect,pnca_p.his51asp,0.0030185424752048,16.1625856127882,10454944.8180635,0.905545449550291,136.210261834263,0.118659089228199,26043.5577250657,1.23987518604392e+26,414.608472400514,2.61763817252677,inf,4.4914140361843e-33,32.347616908121,53.6831618314533,inf,198.436695636911,4.58127580776551e-45,-1.67,-0.4371727748691099,Destabilising,ASP,0,pnca_complex.pdb
|
||||
H51Y,H,51,Y,A,PZA,5.6610000000000005,0.122,Stabilising,-2.046,Destabilising,0.1037414965986394,-0.5182370820668692,H51,HA51,-1.10156,-18.0,-6.0,0.0,0.0,-6.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,2.0,-6.0,-2.0,0.0,4.0,-4.0,-0.21178958701838038,Stabilising,-0.891,Destabilising,-0.15191815856777494,1,0.0044642857142857,B,strand,1.3666666666666665,6.97,HIS,-1.189,-0.9794069192751236,9,9,-1.221,-1.178,9:9,149/150,H:Y,60,0.631578947368421,80,effect,pnca_p.his51tyr,0.0002156101768003,2.27260607808817,9.70465898653051,0.0634455902260897,1.22442760158496,1.8560559033024,0.929172866365331,208.881603005168,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,0.41,0.2303370786516853,Stabilising,TYR,0,pnca_complex.pdb
|
||||
H51R,H,51,R,A,PZA,5.6610000000000005,-1.766,Destabilising,-0.862,Destabilising,-0.4563307493540051,-0.218338399189463,H51,HA51,2.7037,-32.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-10.0,0.0,-2.0,-9.0,0.0,0.0,2.0,-2.0,0.09847463923833943,Destabilising,-1.252,Destabilising,-0.2134697357203751,1,0.0044642857142857,B,strand,1.3666666666666665,6.97,HIS,-1.189,-0.9794069192751236,9,9,-1.221,-1.178,9:9,149/150,H:Y,74,0.7789473684210526,85,effect,pnca_p.his51arg,0.001293661060802,3.19420858638167,24.3908627908724,4.47975895465189e-07,0.632848408547862,5.04735185115046,8.04148719104289,105.368248724156,24.3908629441624,1.38722716584297,24.3817411979725,1.4579789128422702e-09,8.83624875729546,6.89001106760784,131.337835841673,51.2029377973759,8.32938806400108e-13,-1.48,-0.387434554973822,Destabilising,ARG,0,pnca_complex.pdb
|
||||
I52T,I,52,T,A,PZA,12.353,-1.196,Destabilising,0.529,Stabilising,-0.3090439276485788,0.237219730941704,I52,IA52,0.950846,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,0.0,0.0,0.0,0.0,-2.0,0.034631881059739654,Destabilising,-1.262,Destabilising,-0.21517476555839726,82,0.416243654822335,S,loop,-0.7333333333333334,4.09,ILE,-0.518,-0.4266886326194399,7,7,-0.674,-0.411,7:7,149/150,N:L:V:I:S:T:P:D,26,0.2736842105263158,63,effect,,,,,,,,,,,,,,,,,,,-1.33,-0.3481675392670157,Destabilising,THR,0,pnca_complex.pdb
|
||||
D53E,D,53,E,A,PZA,13.16,-0.145,Destabilising,-0.123,Destabilising,-0.0374677002583979,-0.0311550151975683,D53,DA53,0.906346,-6.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,-2.0,0.0,-2.0,0.0,0.03301109419503347,Destabilising,-0.467,Destabilising,-0.07962489343563513,103,0.533678756476684,-,loop,-0.2,3.83,ASP,0.498,0.1596153846153846,3,3,0.225,0.59,4:3,148/150,D:P:S:G:A:I:R:L:N:V:Q:E:H,-39,-0.41935483870967744,66,neutral,pnca_p.asp53glu,7.18700589334483e-05,-8.9874087814964,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987752,,4692673.51081297,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.14,0.0786516853932584,Stabilising,GLU,0,pnca_complex.pdb
|
||||
P54A,P,54,A,A,PZA,9.765,-1.416,Destabilising,-1.785,Destabilising,-0.365891472868217,-0.452127659574468,P54,PA54,2.25796,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,0.0,1.0,0.08223981818049375,Destabilising,-1.236,Destabilising,-0.21074168797953963,8,0.050314465408805,-,loop,-1.8333333333333333,4.91,PRO,-0.129,-0.10626029654036244,5,5,-0.332,-0.038,6:5,148/150,Q:E:H:K:V:N:P:A:G:S:D,25,0.2631578947368421,63,effect,pnca_p.pro54ala,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987755,,4692673.51081266,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.58,-0.4136125654450262,Destabilising,ALA,0,pnca_complex.pdb
|
||||
P54L,P,54,L,A,PZA,9.765,-0.0969999999999999,Destabilising,-1.77,Destabilising,-0.0250645994832041,-0.4483282674772036,P54,PA54,3.46567,-16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-10.0,0.0,-6.0,-4.0,-2.0,0.0,-2.0,-2.0,0.12622724524508483,Destabilising,-0.95,Destabilising,-0.1619778346121057,8,0.050314465408805,-,loop,-1.8333333333333333,4.91,PRO,-0.129,-0.10626029654036244,5,5,-0.332,-0.038,6:5,148/150,Q:E:H:K:V:N:P:A:G:S:D,33,0.3473684210526316,66,effect,pnca_p.pro54leu,0.0023717119448037,3.09367684201887,22.0580329576526,7.52888191547387e-12,0.451813758844646,6.84723911447463,9.73717599077908,59.1593944160241,22.0580357142857,1.34356683555525,22.0491621136906,6.54726814958295e-16,15.1839398717709,8.90776823243485,65.3653818513773,93.2270586345296,4.6626285706706e-22,-0.4,-0.1047120418848167,Destabilising,LEU,0,pnca_complex.pdb
|
||||
P54S,P,54,S,A,PZA,9.765,-1.837,Destabilising,-0.307,Destabilising,-0.4746770025839793,-0.0777608915906788,P54,PA54,1.58683,0.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-6.0,0.0,2.0,-8.0,0.0,0.0,0.0,0.0,-7.0,0.0,-3.0,-2.0,-6.0,0.0,-6.0,-4.0,0.057795802708353064,Destabilising,-1.286,Destabilising,-0.21926683716965045,8,0.050314465408805,-,loop,-1.8333333333333333,4.91,PRO,-0.129,-0.10626029654036244,5,5,-0.332,-0.038,6:5,148/150,Q:E:H:K:V:N:P:A:G:S:D,26,0.2736842105263158,63,effect,pnca_p.pro54ser,0.0002156101768003,2.27260607808816,9.70465898653047,0.0634455902260904,1.22442760158496,1.8560559033024,0.929172866366028,208.88160300516,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-1.76,-0.4607329842931937,Destabilising,SER,0,pnca_complex.pdb
|
||||
P54Q,P,54,Q,A,PZA,9.765,-1.251,Destabilising,-0.084,Destabilising,-0.3232558139534883,-0.0212765957446808,P54,PA54,9.94224,-16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,0.0,0.0,0.0,0.0,-8.0,0.0,-8.0,-4.0,-10.0,0.0,-8.0,-6.0,0.362118022421492,Destabilising,-1.258,Destabilising,-0.2144927536231884,8,0.050314465408805,-,loop,-1.8333333333333333,4.91,PRO,-0.129,-0.10626029654036244,5,5,-0.332,-0.038,6:5,148/150,Q:E:H:K:V:N:P:A:G:S:D,8,0.08421052631578947,53,effect,pnca_p.pro54gln,0.0003593502946672,2.96659528728018,19.4256680571768,0.0079500503166053,1.11770528264822,2.65418382943607,2.872152136516,380.097158975598,19.4256842105263,1.28837632444196,19.4169790983636,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,9.87561363723508,0.0016748373055023,-1.64,-0.4293193717277487,Destabilising,GLN,0,pnca_complex.pdb
|
||||
P54R,P,54,R,A,PZA,9.765,-0.884,Destabilising,-0.957,Destabilising,-0.2284237726098191,-0.2424012158054711,P54,PA54,7.062289999999999,-40.0,-24.0,0.0,0.0,-24.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-19.0,0.0,-8.0,-16.0,-12.0,0.0,-12.0,-12.0,0.257223974533614,Destabilising,-1.269,Destabilising,-0.21636828644501277,8,0.050314465408805,-,loop,-1.8333333333333333,4.91,PRO,-0.129,-0.10626029654036244,5,5,-0.332,-0.038,6:5,148/150,Q:E:H:K:V:N:P:A:G:S:D,33,0.3473684210526316,66,effect,pnca_p.pro54arg,0.0001437401178668,13.14560022562,511754.463552342,0.924803768446982,139.27718332653,0.0943844491369463,0.0001628371344461,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.35,-0.0916230366492146,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G55S,G,55,S,A,PZA,12.27,-0.912,Destabilising,0.5589999999999999,Stabilising,-0.2356589147286821,0.2506726457399102,G55,GA55,0.441313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,0.0,0.0,0.0,-3.0,-7.0,0.016073580081439987,Destabilising,-1.035,Destabilising,-0.1764705882352941,36,0.3461538461538461,G,helix,-1.8333333333333333,3.54,GLY,-1.036,-0.8533772652388798,9,9,-1.124,-0.993,9:9,148/150,T:H:S:A:G,5,0.05263157894736842,53,effect,,,,,,,,,,,,,,,,,,,0.06,0.0337078651685393,Stabilising,SER,0,pnca_complex.pdb
|
||||
D56E,D,56,E,A,PZA,11.133,0.434,Stabilising,-0.01,Destabilising,0.369047619047619,-0.0025329280648429,D56,DA56,-0.915918,-8.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,0.0,0.0,-0.17609743905252634,Stabilising,-0.032,Destabilising,-0.005456095481670929,148,0.7668393782383419,G,helix,-2.3666666666666667,3.47,ASP,2.366,0.7583333333333333,1,1,1.183,3.125,1:1,148/150,D:P:S:A:G:T:K:C:R:I:L:V:E:Y,-78,-0.8387096774193549,87,neutral,,,,,,,,,,,,,,,,,,,0.09,0.0505617977528089,Stabilising,GLU,0,pnca_complex.pdb
|
||||
H57Q,H,57,Q,A,PZA,4.561,-1.29,Destabilising,-0.949,Destabilising,-0.3333333333333333,-0.2403748733535967,H57,HA57,0.8493200000000001,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,-1.0,2.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,2.0,0.0,0.0,-2.0,-2.0,0.030934083144545054,Destabilising,-0.454,Destabilising,-0.07740835464620631,16,0.0714285714285714,G,helix,-1.3,5.63,HIS,-1.177,-0.9695222405271829,9,9,-1.221,-1.152,9:9,148/150,H:S,63,0.6631578947368421,80,effect,,,,,,,,,,,,,,,,,,,-0.3,-0.0785340314136125,Destabilising,GLN,0,pnca_complex.pdb
|
||||
H57L,H,57,L,A,PZA,4.561,-0.06,Destabilising,-1.924,Destabilising,-0.0155038759689922,-0.4873353596757852,H57,HA57,-1.11406,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,1.0,0.0,0.0,-2.0,0.0,-0.21419287856648467,Stabilising,-0.541,Destabilising,-0.09224211423699916,16,0.0714285714285714,G,helix,-1.3,5.63,HIS,-1.177,-0.9695222405271829,9,9,-1.221,-1.152,9:9,148/150,H:S,68,0.7157894736842105,80,effect,,,,,,,,,,,,,,,,,,,-0.64,-0.1675392670157068,Destabilising,LEU,0,pnca_complex.pdb
|
||||
H57R,H,57,R,A,PZA,4.561,-1.171,Destabilising,-0.281,Destabilising,-0.3025839793281654,-0.0711752786220871,H57,HA57,1.25273,-20.0,-28.0,0.0,0.0,-28.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,3.0,0.0,0.0,-2.0,0.0,0.04562715346119945,Destabilising,-0.843,Destabilising,-0.14373401534526853,16,0.0714285714285714,G,helix,-1.3,5.63,HIS,-1.177,-0.9695222405271829,9,9,-1.221,-1.152,9:9,148/150,H:S,76,0.8,85,effect,pnca_p.his57arg,0.0018686215322696,15.1557612752498,3820001.12562827,0.885234541058947,105.0027715034,0.144336773765625,15316.7789338948,2.0462689243807308e+16,254.917127071823,2.40639901531589,inf,1.0165082312418301e-20,19.9928891002838,32.1173872780919,inf,120.509921037495,4.89215110948636e-28,-0.28,-0.0732984293193717,Destabilising,ARG,0,pnca_complex.pdb
|
||||
H57D,H,57,D,A,PZA,4.561,-1.854,Destabilising,-1.283,Destabilising,-0.4790697674418605,-0.3249746707193516,H57,HA57,1.83315,12.0,-52.0,0.0,0.0,-52.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.06676731328171097,Destabilising,-1.011,Destabilising,-0.17237851662404088,16,0.0714285714285714,G,helix,-1.3,5.63,HIS,-1.177,-0.9695222405271829,9,9,-1.221,-1.152,9:9,148/150,H:S,75,0.7894736842105263,85,effect,pnca_p.his57asp,0.0073307460112117,5.11745293904149,166.909698569351,2.3513585122013e-18,0.585586418334624,8.73902259139692,62.7783116073746,679.19417378895,166.910526315789,2.2224837265936,166.066117054134,2.0766131992924198e-72,71.6826443898669,55.3332327668776,812.938834180501,457.827712322676,1.42764749548143e-101,-1.24,-0.3246073298429319,Destabilising,ASP,0,pnca_complex.pdb
|
||||
H57P,H,57,P,A,PZA,4.561,-1.226,Destabilising,-2.115,Destabilising,-0.3167958656330749,-0.5357142857142858,H57,HA57,0.15002,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,3.0,4.0,-3.0,4.0,2.0,0.0,0.0,4.0,0.005464054953780257,Destabilising,-0.75,Destabilising,-0.1278772378516624,16,0.0714285714285714,G,helix,-1.3,5.63,HIS,-1.177,-0.9695222405271829,9,9,-1.221,-1.152,9:9,148/150,H:S,78,0.8210526315789474,85,effect,pnca_p.his57pro,0.0002874802357337,14.1464514590952,1392277.50785055,0.930573112990219,162.371849599067,0.0871237932808301,0.0113995443355766,,38.8547368421053,1.58944397188817,inf,0.0008528275207519,3.06913879340442,3.20302487654751,inf,13.9909822352959,0.0001836895199759,-0.33,-0.0863874345549738,Destabilising,PRO,0,pnca_complex.pdb
|
||||
H57Y,H,57,Y,A,PZA,4.561,0.405,Stabilising,-1.155,Destabilising,0.3443877551020408,-0.2925531914893617,H57,HA57,-0.147464,-10.0,-6.0,0.0,0.0,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-0.028351918787972007,Stabilising,-0.488,Destabilising,-0.08320545609548166,16,0.0714285714285714,G,helix,-1.3,5.63,HIS,-1.177,-0.9695222405271829,9,9,-1.221,-1.152,9:9,148/150,H:S,63,0.6631578947368421,80,effect,pnca_p.his57tyr,0.0002156101768003,13.1460210124991,511969.848428296,0.907969111549563,113.719344731871,0.115600569485296,0.183926936278874,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,0.9,0.5056179775280899,Stabilising,TYR,0,pnca_complex.pdb
|
||||
F58L,F,58,L,A,PZA,8.072000000000001,-1.639,Destabilising,-2.337,Destabilising,-0.4235142118863049,-0.5919452887537994,F58,FA58,0.155134,10.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,1.0,2.0,0.0,6.0,0.0,0.0056503179656028964,Destabilising,-0.746,Destabilising,-0.12719522591645352,43,0.1791666666666666,B,strand,-0.4000000000000001,4.41,PHE,-1.108,-0.9126853377265239,9,9,-1.178,-1.062,9:9,148/150,W:I:F,74,0.7789473684210526,85,effect,pnca_p.phe58leu,0.000646830530401,1.80360630763137,6.0715037407715,0.0072061894224301,0.671193623356544,2.68716245933892,1.60530087074952,24.5460966015953,6.07150379106992,0.783296270528047,6.07036843596735,0.0099794518593429,2.00089331252028,1.30550120941319,30.6177596174465,6.87801392972404,0.0087262477054536,-1.43,-0.3743455497382199,Destabilising,LEU,0,pnca_complex.pdb
|
||||
F58S,F,58,S,A,PZA,8.072000000000001,-2.784,Destabilising,-0.8059999999999999,Destabilising,-0.7193798449612402,-0.2041540020263424,F58,FA58,2.9435,28.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,6.0,0.0,10.0,2.0,0.10720867721938533,Destabilising,-1.022,Destabilising,-0.1742540494458653,43,0.1791666666666666,B,strand,-0.4000000000000001,4.41,PHE,-1.108,-0.9126853377265239,9,9,-1.178,-1.062,9:9,148/150,W:I:F,78,0.8210526315789474,85,effect,pnca_p.phe58ser,0.0001437401178668,1.57903938912402,4.85029432717734,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673649,122.683760399218,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-3.0,-0.7853403141361257,Destabilising,SER,0,pnca_complex.pdb
|
||||
F58V,F,58,V,A,PZA,8.072000000000001,-1.927,Destabilising,-2.319,Destabilising,-0.4979328165374676,-0.587386018237082,F58,FA58,1.56433,28.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,2.0,4.0,0.0,8.0,-2.0,0.05697630373181623,Destabilising,-1.103,Destabilising,-0.18806479113384483,43,0.1791666666666666,B,strand,-0.4000000000000001,4.41,PHE,-1.108,-0.9126853377265239,9,9,-1.178,-1.062,9:9,148/150,W:I:F,71,0.7473684210526316,85,effect,pnca_p.phe58val,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987755,,4692673.51081266,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.7,-0.4450261780104712,Destabilising,VAL,0,pnca_complex.pdb
|
||||
S59P,S,59,P,A,PZA,11.829,-0.594,Destabilising,-1.097,Destabilising,-0.1534883720930232,-0.2778622087132725,S59,SA59,3.6058,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-4.0,-2.0,-2.0,0.0,-4.0,-6.0,0.1313310848709562,Destabilising,-1.13,Destabilising,-0.19266837169650466,38,0.2451612903225806,-,loop,0.5333333333333333,3.86,SER,-0.671,-0.5527182866556838,7,7,-0.779,-0.615,8:7,148/150,T:G:A:S:Q:H:E:K:R:L:V,62,0.6526315789473685,80,effect,pnca_p.ser59pro,0.0004312203536006,14.1472939191327,1393450.94022764,0.915018435775139,132.57606067652,0.106710773022978,4.17896182039693,,58.3312262958281,1.7659011066874,inf,2.48532104922106e-05,4.60461750194108,5.71767556863798,inf,23.547488635408,1.21868387173808e-06,-0.16,-0.0418848167539267,Destabilising,PRO,0,pnca_complex.pdb
|
||||
S59F,S,59,F,A,PZA,11.829,-0.905,Destabilising,-0.598,Destabilising,-0.2338501291989664,-0.1514690982776089,S59,SA59,0.176045,-14.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,-2.0,0.0,-4.0,-2.0,0.006411942103307863,Destabilising,-1.083,Destabilising,-0.1846547314578005,38,0.2451612903225806,-,loop,0.5333333333333333,3.86,SER,-0.671,-0.5527182866556838,7,7,-0.779,-0.615,8:7,148/150,T:G:A:S:Q:H:E:K:R:L:V,56,0.5894736842105263,75,effect,pnca_p.ser59phe,7.18700589334483e-05,12.1451538387252,188179.926264404,0.919026337424193,119.468044436159,0.101660271548307,5.01153666069521e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.74,-0.193717277486911,Destabilising,PHE,0,pnca_complex.pdb
|
||||
S59Y,S,59,Y,A,PZA,11.829,-0.542,Destabilising,-0.5529999999999999,Destabilising,-0.1400516795865633,-0.1400709219858155,S59,SA59,0.447426,-22.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,-2.0,-2.0,0.01629622884782086,Destabilising,-0.986,Destabilising,-0.1681159420289855,38,0.2451612903225806,-,loop,0.5333333333333333,3.86,SER,-0.671,-0.5527182866556838,7,7,-0.779,-0.615,8:7,148/150,T:G:A:S:Q:H:E:K:R:L:V,58,0.6105263157894737,75,effect,pnca_p.ser59tyr,7.18700589334483e-05,12.1451538387264,188179.926264634,0.919026337424234,119.468044436232,0.101660271548256,5.0115366606273e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.66,-0.1727748691099476,Destabilising,TYR,0,pnca_complex.pdb
|
||||
G60D,G,60,D,A,PZA,14.904000000000002,-0.161,Destabilising,0.52,Stabilising,-0.0416020671834625,0.2331838565022421,G60,GA60,-2.08267,0.0,-8.0,0.0,0.0,-8.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,-1.0,-7.0,-0.40042105667922784,Stabilising,0.187,Stabilising,0.1579391891891892,80,0.7692307692307693,S,loop,-0.6333333333333333,3.26,GLY,0.72,0.23076923076923075,2,2,0.389,0.842,4:2,148/150,H:E:Q:N:L:V:K:I:T:A:S:G:P:D,-38,-0.40860215053763443,66,neutral,pnca_p.gly60asp,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987745,,4692673.51081424,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.13,-0.0340314136125654,Destabilising,ASP,0,pnca_complex.pdb
|
||||
T61P,T,61,P,A,PZA,14.618,-0.204,Destabilising,-0.472,Destabilising,-0.0527131782945736,-0.1195542046605876,T61,TA61,1.58134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-2.0,0.057595844958078075,Destabilising,-0.158,Destabilising,-0.026939471440750214,130,0.7558139534883721,S,loop,-0.9,3.48,THR,1.323,0.42403846153846153,1,1,0.842,1.712,2:1,124/150,R:K:N:L:V:Q:H:E:D:P:T:A:G:S,-13,-0.13978494623655913,57,neutral,pnca_p.thr61pro,7.18700589334483e-05,-8.98740878149644,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987752,,4692673.51081345,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.02,0.0112359550561797,Stabilising,PRO,0,pnca_complex.pdb
|
||||
T61R,T,61,R,A,PZA,14.618,0.174,Stabilising,-0.01,Destabilising,0.1479591836734693,-0.0025329280648429,T61,TA61,-0.3629409999999999,-8.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,-1.0,0.0,0.0,0.0,0.0,-0.06978024302084132,Stabilising,-0.011,Destabilising,-0.0018755328218243818,130,0.7558139534883721,S,loop,-0.9,3.48,THR,1.323,0.42403846153846153,1,1,0.842,1.712,2:1,124/150,R:K:N:L:V:Q:H:E:D:P:T:A:G:S,-37,-0.3978494623655914,66,neutral,,,,,,,,,,,,,,,,,,,-0.02,-0.0052356020942408,Destabilising,ARG,0,pnca_complex.pdb
|
||||
P62L,P,62,L,A,PZA,11.121,-0.504,Destabilising,-0.276,Destabilising,-0.1302325581395348,-0.0699088145896656,P62,PA62,1.7765799999999998,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,-2.0,-7.0,1.0,2.0,0.0,4.0,2.0,0.06470691074381368,Destabilising,-1.127,Destabilising,-0.19215686274509802,34,0.2138364779874214,-,loop,-1.9333333333333336,3.99,PRO,-0.599,-0.49341021416803954,7,7,-0.779,-0.485,8:7,125/150,I:V:P:A:E,54,0.5684210526315789,75,effect,pnca_p.pro62leu,0.0007905706482679,3.88541626053988,48.6872048041474,0.0002118075877292,1.0488367141091,3.70450062271154,9.31977387255173,893.783372292271,48.6872097931617,1.68741488635211,48.6746878162623,1.95392414212297e-07,6.70909230105579,6.91781679568266,2088.84994220519,37.2619168572472,1.03281930722422e-09,-0.59,-0.1544502617801047,Destabilising,LEU,0,pnca_complex.pdb
|
||||
P62S,P,62,S,A,PZA,11.121,-1.342,Destabilising,0.534,Stabilising,-0.3467700258397932,0.2394618834080717,P62,PA62,1.54135,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,-2.0,-1.0,0.0,-4.0,0.0,-4.0,0.0,0.05613932211044661,Destabilising,-1.161,Destabilising,-0.1979539641943734,34,0.2138364779874214,-,loop,-1.9333333333333336,3.99,PRO,-0.599,-0.49341021416803954,7,7,-0.779,-0.485,8:7,125/150,I:V:P:A:E,50,0.5263157894736842,75,effect,pnca_p.pro62ser,0.0003593502946672,0.192485717774876,1.21225918982515,0.863268405978748,1.11770505415734,0.172215126932565,0.0619550849552706,8.19905671742343,1.21225820016821,0.083595130527928,1.212214074125,1.0,0.0,0.0246053772172713,12.260612593354,7.1929763849897505e-25,0.999999999999323,-1.23,-0.3219895287958115,Destabilising,SER,0,pnca_complex.pdb
|
||||
P62Q,P,62,Q,A,PZA,11.121,-0.763,Destabilising,0.708,Stabilising,-0.197157622739018,0.3174887892376681,P62,PA62,1.97038,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,0.0,0.0,0.0,0.0,-7.0,-2.0,-3.0,-3.0,0.0,0.0,0.0,0.0,0.07176552859505096,Destabilising,-0.98,Destabilising,-0.1670929241261722,34,0.2138364779874214,-,loop,-1.9333333333333336,3.99,PRO,-0.599,-0.49341021416803954,7,7,-0.779,-0.485,8:7,125/150,I:V:P:A:E,50,0.5263157894736842,75,effect,,,,,,,,,,,,,,,,,,,-0.28,-0.0732984293193717,Destabilising,GLN,0,pnca_complex.pdb
|
||||
P62T,P,62,T,A,PZA,11.121,-1.056,Destabilising,0.522,Stabilising,-0.2728682170542635,0.2340807174887892,P62,PA62,2.20908,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-9.0,-2.0,-5.0,-2.0,-4.0,0.0,-4.0,0.0,0.08045950218168839,Destabilising,-1.242,Destabilising,-0.21176470588235294,34,0.2138364779874214,-,loop,-1.9333333333333336,3.99,PRO,-0.599,-0.49341021416803954,7,7,-0.779,-0.485,8:7,125/150,I:V:P:A:E,55,0.5789473684210527,75,effect,pnca_p.pro62thr,0.0002156101768003,13.1460210125009,511969.848429208,0.907969111549634,113.719344731975,0.115600569485207,0.183926936276724,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-0.58,-0.1518324607329843,Destabilising,THR,0,pnca_complex.pdb
|
||||
P62R,P,62,R,A,PZA,11.121,-0.186,Destabilising,0.023,Stabilising,-0.0480620155038759,0.0103139013452914,P62,PA62,2.51854,-20.0,-14.0,0.0,0.0,-14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,-2.0,-1.0,-5.0,-2.0,0.0,0.0,0.0,0.09173070899409232,Destabilising,-1.078,Destabilising,-0.18380221653878942,34,0.2138364779874214,-,loop,-1.9333333333333336,3.99,PRO,-0.599,-0.49341021416803954,7,7,-0.779,-0.485,8:7,125/150,I:V:P:A:E,61,0.6421052631578947,80,effect,,,,,,,,,,,,,,,,,,,-0.18,-0.0471204188481675,Destabilising,ARG,0,pnca_complex.pdb
|
||||
D63E,D,63,E,A,PZA,10.737,-0.2189999999999999,Destabilising,-0.0139999999999999,Destabilising,-0.0565891472868217,-0.0035460992907801,D63,DA63,3.8992,-4.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,4.0,0.0,6.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,2.0,0.14201735152499653,Destabilising,-0.86,Destabilising,-0.1466325660699062,84,0.4352331606217616,-,loop,-2.1333333333333333,3.62,ASP,-0.741,-0.6103789126853377,8,8,-0.872,-0.674,8:7,125/150,W:D:M:G:N:F:Y:E,32,0.3368421052631579,66,effect,,,,,,,,,,,,,,,,,,,0.02,0.0112359550561797,Stabilising,GLU,0,pnca_complex.pdb
|
||||
D63G,D,63,G,A,PZA,10.737,-1.153,Destabilising,-0.799,Destabilising,-0.2979328165374677,-0.2023809523809523,D63,DA63,4.616219999999999,4.0,12.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,6.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,7.0,11.0,0.16813278068750498,Destabilising,-0.964,Destabilising,-0.16436487638533673,84,0.4352331606217616,-,loop,-2.1333333333333333,3.62,ASP,-0.741,-0.6103789126853377,8,8,-0.872,-0.674,8:7,125/150,W:D:M:G:N:F:Y:E,33,0.3473684210526316,66,effect,pnca_p.asp63gly,0.0005749604714675,1.58004161593687,4.85515785897614,0.0255237229775361,0.70746570614631,2.23338262506551,1.14726850666831,20.5466864308595,4.85515789473684,0.686203358177678,4.85442845338892,0.033386534669467,1.47642865587913,0.903495684237988,26.0627135254866,4.01139112494925,0.0451938468216249,-0.66,-0.1727748691099476,Destabilising,GLY,0,pnca_complex.pdb
|
||||
D63Y,D,63,Y,A,PZA,10.737,0.07,Stabilising,-0.4379999999999999,Destabilising,0.0595238095238095,-0.1109422492401215,D63,DA63,4.37717,-6.0,12.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,6.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,-2.0,0.0,0.0,2.0,0.0,0.15942605933901033,Destabilising,-0.53,Destabilising,-0.09036658141517477,84,0.4352331606217616,-,loop,-2.1333333333333333,3.62,ASP,-0.741,-0.6103789126853377,8,8,-0.872,-0.674,8:7,125/150,W:D:M:G:N:F:Y:E,35,0.3684210526315789,66,effect,pnca_p.asp63tyr,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987744,,4692673.51081431,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.23,0.1292134831460674,Stabilising,TYR,0,pnca_complex.pdb
|
||||
D63A,D,63,A,A,PZA,10.737,-0.7140000000000001,Destabilising,-0.769,Destabilising,-0.1844961240310077,-0.1947821681864235,D63,DA63,4.4472,2.0,12.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,6.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,2.0,1.0,0.1619767043757603,Destabilising,-0.704,Destabilising,-0.12003410059676044,84,0.4352331606217616,-,loop,-2.1333333333333333,3.62,ASP,-0.741,-0.6103789126853377,8,8,-0.872,-0.674,8:7,125/150,W:D:M:G:N:F:Y:E,40,0.42105263157894735,71,effect,pnca_p.asp63ala,0.0009343107661348,3.28791485229524,26.7869506340703,1.90630753051068e-05,0.768996545261043,4.275591187707,7.18677177005967,173.199151011581,26.7869510135135,1.42792328347145,26.7708032978517,1.9896368453757e-07,6.70122618511891,5.83859157504838,247.443798048456,37.2159659891988,1.0574446237829601e-09,0.12,0.0674157303370786,Stabilising,ALA,0,pnca_complex.pdb
|
||||
D63H,D,63,H,A,PZA,10.737,-0.085,Destabilising,-0.456,Destabilising,-0.0219638242894056,-0.1155015197568389,D63,DA63,4.0904300000000005,-4.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,6.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,2.0,-2.0,0.14898236438202495,Destabilising,-0.703,Destabilising,-0.11986359761295821,84,0.4352331606217616,-,loop,-2.1333333333333333,3.62,ASP,-0.741,-0.6103789126853377,8,8,-0.872,-0.674,8:7,125/150,W:D:M:G:N:F:Y:E,35,0.3684210526315789,66,effect,pnca_p.asp63his,0.0002156101768003,0.885806606247284,2.42493957425811,0.469406216824826,1.22442753211922,0.723445514749363,0.112662937620386,25.3270547471305,2.42493692178301,0.384700446081433,2.42473736947533,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,4.31445715363782e-25,0.999999999999476,0.25,0.1404494382022472,Stabilising,HIS,0,pnca_complex.pdb
|
||||
D63V,D,63,V,A,PZA,10.737,0.0279999999999999,Stabilising,-0.722,Destabilising,0.0238095238095238,-0.1828774062816616,D63,DA63,4.48687,0.0,12.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.16342157212683658,Destabilising,-0.842,Destabilising,-0.1435635123614663,84,0.4352331606217616,-,loop,-2.1333333333333333,3.62,ASP,-0.741,-0.6103789126853377,8,8,-0.872,-0.674,8:7,125/150,W:D:M:G:N:F:Y:E,40,0.42105263157894735,71,effect,,,,,,,,,,,,,,,,,,,-0.12,-0.031413612565445,Destabilising,VAL,0,pnca_complex.pdb
|
||||
Y64D,Y,64,D,A,PZA,8.434,-0.392,Destabilising,0.546,Stabilising,-0.1012919896640826,0.2448430493273543,Y64,YA64,2.59866,32.0,-18.0,0.0,0.0,-18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,-3.0,4.0,6.0,0.0,6.0,4.0,0.09464885379409815,Destabilising,-0.33,Destabilising,-0.05626598465473146,135,0.5133079847908745,S,loop,-1.8666666666666665,3.61,TYR,0.947,0.303525641025641,1,1,0.59,1.183,3:1,146/150,E:Y:H:F:Q:N:R:K:S:G:A:T:P:W:D,69,0.7263157894736842,80,effect,pnca_p.tyr64asp,0.0002874802357337,1.57937329521209,4.85191414039982,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091311512,40.4562911075298,4.85191417753471,0.685913110299906,4.85118443551178,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,1.17497090855698,0.278382201819561,0.17,0.0955056179775281,Stabilising,ASP,0,pnca_complex.pdb
|
||||
S65P,S,65,P,A,PZA,8.267999999999999,-0.032,Destabilising,-0.499,Destabilising,-0.0082687338501291,-0.1263931104356636,S65,SA65,3.33753,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,-4.0,-2.0,0.0,0.0,-2.0,-2.0,0.12156010751826572,Destabilising,-0.186,Destabilising,-0.031713554987212275,97,0.6258064516129033,S,loop,-0.9666666666666668,3.79,SER,-0.697,-0.5741350906095551,8,8,-0.827,-0.615,8:7,147/150,L:V:R:K:I:E:Q:D:G:S:A:T,21,0.22105263157894736,63,effect,pnca_p.ser65pro,0.0001437401178668,-9.98752126245058,4.59700131334264e-05,0.942832958100734,139.277183325397,-0.0717096729269463,,144471.706314841,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-0.19,-0.0497382198952879,Destabilising,PRO,0,pnca_complex.pdb
|
||||
S66L,S,66,L,A,PZA,9.005,0.201,Stabilising,-0.6629999999999999,Destabilising,0.1709183673469388,-0.1679331306990881,S66,SA66,1.22464,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,-5.0,0.0,0.0,0.0,0.0,0.044604054516714134,Destabilising,0.084,Stabilising,0.07094594594594596,71,0.4580645161290322,S,loop,-0.8000000000000002,3.87,SER,-0.098,-0.08072487644151566,5,5,-0.332,-0.038,6:5,147/150,N:V:I:R:H:F:E:Q:D:T:G:M:S:A,32,0.3368421052631579,66,effect,pnca_p.ser66leu,0.0005030904125341,-10.9879643775828,1.69039306948873e-05,0.928667766494711,122.741582014466,-0.0895211239520097,,1.02643587095793,0.346123821533658,-0.460768509909571,0.0,0.611380301705926,0.213688558083325,0.0,3.36442927964707,0.489658927611485,0.484079488471969,-0.57,-0.1492146596858638,Destabilising,LEU,0,pnca_complex.pdb
|
||||
S66P,S,66,P,A,PZA,9.005,-0.248,Destabilising,-0.726,Destabilising,-0.0640826873385013,-0.1838905775075987,S66,SA66,1.91796,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,2.0,4.0,-2.0,-4.0,0.0,0.0,-2.0,0.0,0.06985627809060381,Destabilising,-0.165,Destabilising,-0.02813299232736573,71,0.4580645161290322,S,loop,-0.8000000000000002,3.87,SER,-0.098,-0.08072487644151566,5,5,-0.332,-0.038,6:5,147/150,N:V:I:R:H:F:E:Q:D:T:G:M:S:A,46,0.4842105263157895,71,effect,pnca_p.ser66pro,7.18700589334483e-05,12.1451538387261,188179.926264563,0.919026337424221,119.468044436209,0.101660271548273,5.01153666064915e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.07,-0.0183246073298429,Destabilising,PRO,0,pnca_complex.pdb
|
||||
S67P,S,67,P,A,PZA,8.658,-0.228,Destabilising,-1.699,Destabilising,-0.0589147286821705,-0.4303444782168186,S67,SA67,3.29311,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,-2.0,2.0,-2.0,-4.0,0.0,0.0,0.0,-4.0,0.11994223442769833,Destabilising,-0.86,Destabilising,-0.1466325660699062,15,0.0967741935483871,-,loop,-0.8333333333333334,5.15,SER,-0.355,-0.29242174629324547,6,6,-0.553,-0.244,7:6,148/150,N:L:V:I:F:Q:W:T:A:M:S:P,40,0.42105263157894735,71,effect,pnca_p.ser67pro,0.0009343107661348,4.06858121107736,58.4739415306308,9.19336449861209e-05,1.04030498364652,3.91095041842055,11.5166635599536,1065.61332397634,58.4740177439797,1.76696293519342,58.4547574725378,6.68324361543955e-09,8.17501270782547,8.64086529870195,2465.74647273772,46.7514830195167,8.05839318437163e-12,-0.0,-0.0,Stabilising,PRO,0,pnca_complex.pdb
|
||||
S67L,S,67,L,A,PZA,8.658,0.61,Stabilising,-1.544,Destabilising,0.5187074829931972,-0.3910840932117528,S67,SA67,0.0243891,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-5.0,0.0,-2.0,-5.0,0.0,0.0,0.0,-2.0,0.0008883041106068664,Destabilising,-0.207,Destabilising,-0.03529411764705882,15,0.0967741935483871,-,loop,-0.8333333333333334,5.15,SER,-0.355,-0.29242174629324547,6,6,-0.553,-0.244,7:6,148/150,N:L:V:I:F:Q:W:T:A:M:S:P,33,0.3473684210526316,66,effect,,,,,,,,,,,,,,,,,,,0.22,0.1235955056179775,Stabilising,LEU,0,pnca_complex.pdb
|
||||
S67W,S,67,W,A,PZA,8.658,-0.8320000000000001,Destabilising,-0.833,Destabilising,-0.2149870801033591,-0.2109929078014184,S67,SA67,0.2013579999999999,-10.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-4.0,0.0,-4.0,-4.0,0.0,0.0,0.0,-6.0,0.007333896663000164,Destabilising,-0.082,Destabilising,-0.013981244671781756,15,0.0967741935483871,-,loop,-0.8333333333333334,5.15,SER,-0.355,-0.29242174629324547,6,6,-0.553,-0.244,7:6,148/150,N:L:V:I:F:Q:W:T:A:M:S:P,39,0.4105263157894737,66,effect,pnca_p.ser67trp,7.18700589334483e-05,12.145153838726,188179.926264541,0.919026337424218,119.468044436204,0.101660271548276,5.01153666065335e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.65,-0.1701570680628272,Destabilising,TRP,0,pnca_complex.pdb
|
||||
S67T,S,67,T,A,PZA,8.658,-0.129,Destabilising,-1.3019999999999998,Destabilising,-0.0333333333333333,-0.3297872340425531,S67,SA67,-0.265321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-6.0,-2.0,0.0,0.0,0.0,-4.0,-0.051011497346766126,Stabilising,-0.27,Destabilising,-0.04603580562659847,15,0.0967741935483871,-,loop,-0.8333333333333334,5.15,SER,-0.355,-0.29242174629324547,6,6,-0.553,-0.244,7:6,148/150,N:L:V:I:F:Q:W:T:A:M:S:P,-47,-0.5053763440860215,72,neutral,,,,,,,,,,,,,,,,,,,-0.1,-0.0261780104712041,Destabilising,THR,0,pnca_complex.pdb
|
||||
W68C,W,68,C,A,PZA,4.974,-1.453,Destabilising,-1.575,Destabilising,-0.3754521963824289,-0.3989361702127659,W68,WA68,2.68091,46.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,2.0,0.0,0.0,4.0,0.09764457783054946,Destabilising,-1.561,Destabilising,-0.26615515771526,45,0.1578947368421052,B,strand,-1.1,5.49,TRP,-1.146,-0.943986820428336,9,9,-1.221,-1.124,9:9,150/150,F:W,78,0.8210526315789474,85,effect,pnca_p.trp68cys,0.0004312203536006,3.19016080361872,24.2923334241599,0.0035954281300595,1.09565968954934,2.91163472932995,3.91551977432164,465.531063220521,24.2923336141533,1.38546923679232,24.2833096922897,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,14.1977442691074,0.0001645676755807,-1.46,-0.3821989528795811,Destabilising,CYS,0,pnca_complex.pdb
|
||||
W68G,W,68,G,A,PZA,4.974,-2.572,Destabilising,-2.125,Destabilising,-0.6645994832041343,-0.5382472137791287,W68,WA68,4.03792,52.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,4.0,0.0,5.0,21.0,0.14706983588167163,Destabilising,-1.882,Destabilising,-0.3208866155157715,45,0.1578947368421052,B,strand,-1.1,5.49,TRP,-1.146,-0.943986820428336,9,9,-1.221,-1.124,9:9,150/150,F:W,86,0.9052631578947369,91,effect,pnca_p.trp68gly,0.0013655311197355,4.47658569248055,87.9339260820995,1.32290566590749e-05,1.02761623592683,4.35628159226488,18.1565285172187,1582.53238090538,87.9339263024142,1.94415646509946,87.8998400324811,2.3565519928076e-13,12.6277229739224,13.8702072448497,3588.35734387119,75.5173867602406,3.62203368500016e-18,-3.08,-0.8062827225130891,Destabilising,GLY,0,pnca_complex.pdb
|
||||
W68R,W,68,R,A,PZA,4.974,-1.608,Destabilising,-0.5760000000000001,Destabilising,-0.4155038759689922,-0.1458966565349544,W68,WA68,0.0790982,-18.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-4.0,3.0,2.0,0.0,0.0,-2.0,0.0028809286198180346,Destabilising,-1.263,Destabilising,-0.21534526854219946,45,0.1578947368421052,B,strand,-1.1,5.49,TRP,-1.146,-0.943986820428336,9,9,-1.221,-1.124,9:9,150/150,F:W,89,0.9368421052631579,91,effect,pnca_p.trp68arg,0.0020123616501365,4.88586941655608,132.40553086776,1.59295080619135e-06,1.01805765099734,4.79920701128237,28.2126225203342,2362.8544732838,132.405612244898,2.12190639382976,132.608758225219,4.03470202806197e-20,19.3941885333947,21.793565475171,5246.53379470447,119.023328875182,1.03505008297772e-27,-1.5,-0.3926701570680628,Destabilising,ARG,0,pnca_complex.pdb
|
||||
W68S,W,68,S,A,PZA,4.974,-2.673,Destabilising,-1.036,Destabilising,-0.6906976744186046,-0.2624113475177305,W68,WA68,2.64788,48.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,4.0,0.09644155333299338,Destabilising,-1.343,Destabilising,-0.22898550724637678,45,0.1578947368421052,B,strand,-1.1,5.49,TRP,-1.146,-0.943986820428336,9,9,-1.221,-1.124,9:9,150/150,F:W,86,0.9052631578947369,91,effect,pnca_p.trp68ser,7.18700589334483e-05,12.1451538387252,188179.926264399,0.919026337424192,119.468044436157,0.101660271548309,5.01153666069715e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-3.09,-0.8089005235602095,Destabilising,SER,0,pnca_complex.pdb
|
||||
W68L,W,68,L,A,PZA,4.974,-1.622,Destabilising,-2.242,Destabilising,-0.4191214470284237,-0.5678824721377913,W68,WA68,0.192132,30.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-3.0,0.0,0.0,0.0,2.0,0.006997865660443331,Destabilising,-1.096,Destabilising,-0.18687127024722933,45,0.1578947368421052,B,strand,-1.1,5.49,TRP,-1.146,-0.943986820428336,9,9,-1.221,-1.124,9:9,150/150,F:W,84,0.8842105263157894,91,effect,,,,,,,,,,,,,,,,,,,-1.35,-0.3534031413612565,Destabilising,LEU,0,pnca_complex.pdb
|
||||
P69R,P,69,R,A,PZA,7.994,-1.258,Destabilising,-0.966,Destabilising,-0.3250645994832041,-0.2446808510638297,P69,PA69,2.33826,-46.0,-14.0,0.0,0.0,-14.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-2.0,-7.0,-6.0,0.0,0.0,-2.0,0.08516451897231186,Destabilising,-1.319,Destabilising,-0.2248934356351236,23,0.1446540880503144,-,loop,-1.3666666666666665,4.65,PRO,-1.198,-0.9868204283360791,9,9,-1.229,-1.178,9:9,150/150,P,77,0.8105263157894737,85,effect,pnca_p.pro69arg,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987743,,4692673.51081303,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.24,-0.3246073298429319,Destabilising,ARG,0,pnca_complex.pdb
|
||||
P69Q,P,69,Q,A,PZA,7.994,-1.59,Destabilising,-0.293,Destabilising,-0.4108527131782946,-0.0742147922998986,P69,PA69,2.83344,-12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-2.0,-5.0,-8.0,0.0,-2.0,-2.0,0.1032000524479345,Destabilising,-1.339,Destabilising,-0.22830349531116792,23,0.1446540880503144,-,loop,-1.3666666666666665,4.65,PRO,-1.198,-0.9868204283360791,9,9,-1.229,-1.178,9:9,150/150,P,71,0.7473684210526316,85,effect,pnca_p.pro69gln,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987744,,4692673.51081431,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.94,-0.2460732984293193,Destabilising,GLN,0,pnca_complex.pdb
|
||||
P69L,P,69,L,A,PZA,7.994,0.046,Stabilising,-1.774,Destabilising,0.0391156462585034,-0.4493414387031408,P69,PA69,2.773,-12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,-4.0,0.0,-2.0,0.0,0.1009986960860729,Destabilising,-1.421,Destabilising,-0.2422847399829497,23,0.1446540880503144,-,loop,-1.3666666666666665,4.65,PRO,-1.198,-0.9868204283360791,9,9,-1.229,-1.178,9:9,150/150,P,71,0.7473684210526316,85,effect,pnca_p.pro69leu,0.0004312203536006,3.19016080361873,24.2923334241601,0.0035954281300594,1.09565968954934,2.91163472932996,3.91551977432241,465.531063220338,24.2923336141533,1.38546923679232,24.2833096922897,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,14.1977442691074,0.0001645676755807,-0.28,-0.0732984293193717,Destabilising,LEU,0,pnca_complex.pdb
|
||||
P69S,P,69,S,A,PZA,7.994,-2.477,Destabilising,-0.353,Destabilising,-0.6400516795865633,-0.0894123606889564,P69,PA69,3.28838,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,2.0,0.0,2.0,2.0,0.11976995753174192,Destabilising,-1.447,Destabilising,-0.24671781756180733,23,0.1446540880503144,-,loop,-1.3666666666666665,4.65,PRO,-1.198,-0.9868204283360791,9,9,-1.229,-1.178,9:9,150/150,P,73,0.7684210526315789,85,effect,pnca_p.pro69ser,0.0001437401178668,-9.98752126245059,4.59700131334263e-05,0.942832958100734,139.277183325398,-0.0717096729269462,,144471.706314845,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-1.93,-0.5052356020942408,Destabilising,SER,0,pnca_complex.pdb
|
||||
P69T,P,69,T,A,PZA,7.994,-1.905,Destabilising,-0.377,Destabilising,-0.4922480620155038,-0.0954913880445795,P69,PA69,2.7518700000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,2.0,0.0,0.10022909549166298,Destabilising,-1.735,Destabilising,-0.2958226768968457,23,0.1446540880503144,-,loop,-1.3666666666666665,4.65,PRO,-1.198,-0.9868204283360791,9,9,-1.229,-1.178,9:9,150/150,P,72,0.7578947368421053,85,effect,pnca_p.pro69thr,7.18700589334483e-05,12.1451538387252,188179.926264408,0.919026337424193,119.46804443616,0.101660271548307,5.01153666069443e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.08,-0.2827225130890052,Destabilising,THR,0,pnca_complex.pdb
|
||||
H71Y,H,71,Y,A,PZA,4.184,-0.461,Destabilising,-1.955,Destabilising,-0.1191214470284237,-0.4951874366767984,H71,HA71,-1.77532,-26.0,-6.0,0.0,0.0,-6.0,0.0,0.0,0.0,0.0,-2.0,0.0,2.0,-4.0,0.0,0.0,0.0,0.0,-8.0,0.0,-3.0,-5.0,-12.0,0.0,-12.0,-6.0,-0.34132892409443977,Stabilising,-0.84,Destabilising,-0.1432225063938619,5,0.0223214285714285,-,loop,-0.7666666666666667,6.25,HIS,-1.209,-0.9958813838550248,9,9,-1.229,-1.201,9:9,150/150,H,61,0.6421052631578947,80,effect,pnca_p.his71tyr,0.0017967514733362,3.24545333052325,25.6733459339263,2.7826871320661e-09,0.546011377839736,5.94392985612077,9.76352440503871,88.06998811648,25.6733460559796,1.40948247478545,25.6638623299459,4.51976315688199e-13,12.3448843223466,8.64707452935555,102.96388402837,74.4270249019608,6.2921718497543394e-18,-0.23,-0.0602094240837696,Destabilising,TYR,0,pnca_complex.pdb
|
||||
H71R,H,71,R,A,PZA,4.184,-1.93,Destabilising,-0.831,Destabilising,-0.4987080103359173,-0.2104863221884498,H71,HA71,-1.52387,-36.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,1.0,-4.0,0.0,-4.0,0.0,-0.29298431131277397,Stabilising,-1.26,Destabilising,-0.21483375959079284,5,0.0223214285714285,-,loop,-0.7666666666666667,6.25,HIS,-1.209,-0.9958813838550248,9,9,-1.229,-1.201,9:9,150/150,H,77,0.8105263157894737,85,effect,pnca_p.his71arg,0.0005030904125341,0.662825392344309,1.94026661170037,0.428026066477985,0.836294653807202,0.792573992105318,0.27776402289494,9.00753289954653,1.94026083298275,0.287860116894481,1.94003614333864,0.342335895194644,0.465547561079344,0.184637933513187,11.8604663966297,0.0926662555126122,0.760814539944039,-1.58,-0.4136125654450262,Destabilising,ARG,0,pnca_complex.pdb
|
||||
H71P,H,71,P,A,PZA,4.184,-2.362,Destabilising,-2.885,Destabilising,-0.6103359173126615,-0.7307497467071935,H71,HA71,3.26218,32.0,8.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,2.0,0.0,0.0,0.0,0.0,0.11881569650128569,Destabilising,-1.555,Destabilising,-0.2651321398124467,5,0.0223214285714285,-,loop,-0.7666666666666667,6.25,HIS,-1.209,-0.9958813838550248,9,9,-1.229,-1.201,9:9,150/150,H,84,0.8842105263157894,91,effect,pnca_p.his71pro,0.0001437401178668,1.57903938912402,4.85029432717734,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673778,122.683760399245,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-2.44,-0.6387434554973822,Destabilising,PRO,0,pnca_complex.pdb
|
||||
H71D,H,71,D,A,PZA,4.184,-2.685,Destabilising,-2.498,Destabilising,-0.6937984496124031,-0.6327254305977711,H71,HA71,5.74525,18.0,-24.0,0.0,0.0,-24.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,-7.0,4.0,0.0,0.0,0.0,0.0,0.20925451088658864,Destabilising,-1.66,Destabilising,-0.2830349531116794,5,0.0223214285714285,-,loop,-0.7666666666666667,6.25,HIS,-1.209,-0.9958813838550248,9,9,-1.229,-1.201,9:9,150/150,H,82,0.8631578947368421,91,effect,pnca_p.his71asp,7.18700589334483e-05,12.1451538387264,188179.926264626,0.919026337424233,119.468044436231,0.101660271548257,5.01153666062825e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.6,-0.680628272251309,Destabilising,ASP,0,pnca_complex.pdb
|
||||
H71Q,H,71,Q,A,PZA,4.184,-2.294,Destabilising,-1.733,Destabilising,-0.592764857881137,-0.4389564336372847,H71,HA71,1.12335,-4.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-5.0,0.0,-5.0,-1.0,0.0,0.0,0.0,2.0,0.04091485223522899,Destabilising,-1.091,Destabilising,-0.18601875532821824,5,0.0223214285714285,-,loop,-0.7666666666666667,6.25,HIS,-1.209,-0.9958813838550248,9,9,-1.229,-1.201,9:9,150/150,H,67,0.7052631578947368,80,effect,pnca_p.his71gln,0.0001437401178668,13.1456002256222,511754.463553472,0.924803768447052,139.277183326685,0.0943844491368574,0.0001628371344425,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.86,-0.486910994764398,Destabilising,GLN,0,pnca_complex.pdb
|
||||
H71N,H,71,N,A,PZA,4.184,-2.6710000000000003,Destabilising,-1.335,Destabilising,-0.6901808785529716,-0.3381458966565349,H71,HA71,0.64378,16.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,-2.0,0.0,2.0,-4.0,0.0,0.0,0.0,0.0,1.0,0.0,-2.0,5.0,0.0,0.0,0.0,0.0,0.023447868938439236,Destabilising,-1.764,Destabilising,-0.30076726342710997,5,0.0223214285714285,-,loop,-0.7666666666666667,6.25,HIS,-1.209,-0.9958813838550248,9,9,-1.229,-1.201,9:9,150/150,H,70,0.7368421052631579,85,effect,,,,,,,,,,,,,,,,,,,-2.6,-0.680628272251309,Destabilising,ASN,0,pnca_complex.pdb
|
||||
C72W,C,72,W,A,PZA,7.053,-1.725,Destabilising,0.265,Stabilising,-0.4457364341085271,0.1188340807174888,C72,CA72,27.4558,-46.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-12.0,0.0,-12.0,-6.0,-16.0,0.0,-14.0,-8.0,1.0,Destabilising,-1.622,Destabilising,-0.2765558397271952,0,0.0,S,loop,1.1666666666666667,7.01,CYS,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,150/150,G:A:C,85,0.8947368421052632,91,effect,pnca_p.cys72trp,0.0001437401178668,13.14560022562,511754.463552333,0.924803768446981,139.277183326528,0.0943844491369478,0.0001628371344461,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.13,-0.2958115183246073,Destabilising,TRP,0,pnca_complex.pdb
|
||||
C72R,C,72,R,A,PZA,7.053,-1.639,Destabilising,0.152,Stabilising,-0.4235142118863049,0.0681614349775784,C72,CA72,7.93343,-68.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,-6.0,0.0,-6.0,-2.0,0.0,0.0,0.0,0.0,-16.0,0.0,-5.0,-13.0,-20.0,0.0,-8.0,-12.0,0.28895278957451614,Destabilising,-2.368,Destabilising,-0.4037510656436487,0,0.0,S,loop,1.1666666666666667,7.01,CYS,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,150/150,G:A:C,87,0.9157894736842105,91,effect,pnca_p.cys72arg,0.0002156101768003,2.27260607808817,9.70465898653054,0.0634455902260893,1.22442760158496,1.8560559033024,0.929172866365108,208.881603005161,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-1.28,-0.3350785340314136,Destabilising,ARG,0,pnca_complex.pdb
|
||||
C72Y,C,72,Y,A,PZA,7.053,-1.564,Destabilising,0.154,Stabilising,-0.4041343669250646,0.0690582959641255,C72,CA72,15.4245,-46.0,-12.0,0.0,0.0,-12.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-15.0,0.0,-4.0,-13.0,-18.0,0.0,-16.0,-14.0,0.5617938650485508,Destabilising,-1.249,Destabilising,-0.21295822676896847,0,0.0,S,loop,1.1666666666666667,7.01,CYS,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,150/150,G:A:C,83,0.8736842105263158,91,effect,pnca_p.cys72tyr,7.18700589334483e-05,12.1451538387253,188179.92626441,0.919026337424193,119.46804443616,0.101660271548307,5.0115366606943e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.05,-0.274869109947644,Destabilising,TYR,0,pnca_complex.pdb
|
||||
C72G,C,72,G,A,PZA,7.053,-1.759,Destabilising,-0.725,Destabilising,-0.4545219638242894,-0.1836372847011144,C72,CA72,1.3326,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,3.0,17.0,0.04853619271702154,Destabilising,-1.459,Destabilising,-0.24876385336743392,0,0.0,S,loop,1.1666666666666667,7.01,CYS,-1.104,-0.9093904448105438,9,9,-1.178,-1.062,9:9,150/150,G:A:C,54,0.5684210526315789,75,effect,,,,,,,,,,,,,,,,,,,-1.55,-0.4057591623036649,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V73D,V,73,D,A,PZA,10.768,-1.148,Destabilising,1.153,Stabilising,-0.296640826873385,0.5170403587443946,V73,VA73,1.11169,-6.0,-50.0,0.0,0.0,-50.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,2.0,2.0,0.0,2.0,-2.0,0.04049016965449923,Destabilising,-2.613,Destabilising,-0.4455242966751918,46,0.264367816091954,B,strand,1.9666666666666668,4.66,VAL,-0.743,-0.6120263591433278,8,8,-0.872,-0.674,8:7,150/150,I:R:K:L:V:E:T:M,87,0.9157894736842105,91,effect,,,,,,,,,,,,,,,,,,,-1.37,-0.3586387434554974,Destabilising,ASP,0,pnca_complex.pdb
|
||||
T76P,T,76,P,A,PZA,14.032,-0.519,Destabilising,-0.382,Destabilising,-0.1341085271317829,-0.096757852077001,T76,TA76,1.15155,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-4.0,2.0,-6.0,-2.0,4.0,0.0,2.0,0.0,0.04194195761915515,Destabilising,-1.623,Destabilising,-0.27672634271099744,56,0.3255813953488372,S,loop,-0.9,3.94,THR,-0.548,-0.45140032948929165,7,7,-0.674,-0.485,7:7,150/150,Q:T:S:D,78,0.8210526315789474,85,effect,pnca_p.thr76pro,0.0017248814144027,3.19623916718558,24.4404407276145,5.521534264615841e-09,0.548179859875324,5.83063954212496,9.23910743126347,84.0861153416749,24.4404408647732,1.38810903558899,24.4312693653994,2.2395302438185697e-12,11.6498430682339,8.17279939949528,98.407580019827,69.8031277140286,6.55288933297668e-17,-0.09,-0.0235602094240837,Destabilising,PRO,0,pnca_complex.pdb
|
||||
T76I,T,76,I,A,PZA,14.032,0.311,Stabilising,-0.319,Destabilising,0.2644557823129251,-0.0808004052684903,T76,TA76,-0.781308,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-6.0,0.0,0.0,0.0,0.0,-4.0,-0.15021687302930092,Stabilising,-0.733,Destabilising,-0.12497868712702472,56,0.3255813953488372,S,loop,-0.9,3.94,THR,-0.548,-0.45140032948929165,7,7,-0.674,-0.485,7:7,150/150,Q:T:S:D,69,0.7263157894736842,80,effect,pnca_p.thr76ile,0.0002156101768003,13.1460210125007,511969.848429101,0.907969111549626,113.719344731963,0.115600569485217,0.183926936276972,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-0.73,-0.1910994764397905,Destabilising,ILE,0,pnca_complex.pdb
|
||||
P77L,P,77,L,A,PZA,13.235,0.544,Stabilising,0.067,Stabilising,0.4625850340136055,0.0300448430493273,P77,PA77,0.65747,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-2.0,-3.0,-1.0,0.0,0.0,0.0,-2.0,0.023946488537940982,Destabilising,-0.447,Destabilising,-0.07621483375959079,94,0.5911949685534591,G,helix,-0.9,3.75,PRO,3.113,0.9977564102564103,1,1,1.712,3.125,1:1,150/150,T:W:Q:E:F:R:L:V:N:P:G:S:A:D:Y:H:K,18,0.18947368421052632,59,effect,pnca_p.pro77leu,7.18700589334483e-05,-8.98740878149639,0.0001249735077034,0.940032862253632,119.468044435489,-0.075228558598776,,4692673.51081001,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.2,-0.0523560209424083,Destabilising,LEU,0,pnca_complex.pdb
|
||||
G78A,G,78,A,A,PZA,9.84,0.335,Stabilising,-0.912,Destabilising,0.2848639455782313,-0.2310030395136778,G78,GA78,1.30582,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,-2.0,0.0,-7.0,-16.0,0.04756080682405903,Destabilising,-1.378,Destabilising,-0.23495311167945437,8,0.0769230769230769,G,helix,-0.0666666666666667,4.83,GLY,-0.882,-0.7265238879736409,8,8,-0.993,-0.827,9:8,150/150,G:E:N:D,67,0.7052631578947368,80,effect,,,,,,,,,,,,,,,,,,,-0.01,-0.0026178010471204,Destabilising,ALA,0,pnca_complex.pdb
|
||||
G78C,G,78,C,A,PZA,9.84,-1.038,Destabilising,-0.281,Destabilising,-0.2682170542635659,-0.0711752786220871,G78,GA78,2.40156,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-4.0,-4.0,0.0,-9.0,-19.0,0.08747004275963548,Destabilising,-1.186,Destabilising,-0.2022165387894288,8,0.0769230769230769,G,helix,-0.0666666666666667,4.83,GLY,-0.882,-0.7265238879736409,8,8,-0.993,-0.827,9:8,150/150,G:E:N:D,70,0.7368421052631579,85,effect,pnca_p.gly78cys,0.0002156101768003,2.27260607808816,9.70465898653048,0.0634455902260901,1.22442760158496,1.8560559033024,0.929172866365334,208.881603004981,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-0.68,-0.1780104712041885,Destabilising,CYS,0,pnca_complex.pdb
|
||||
G78V,G,78,V,A,PZA,9.84,0.114,Stabilising,-0.8420000000000001,Destabilising,0.096938775510204,-0.2132725430597771,G78,GA78,2.8237,-8.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-17.0,0.0,-11.0,-10.0,-8.0,0.0,-9.0,-21.0,0.10284530044653589,Destabilising,-1.939,Destabilising,-0.33060528559249786,8,0.0769230769230769,G,helix,-0.0666666666666667,4.83,GLY,-0.882,-0.7265238879736409,8,8,-0.993,-0.827,9:8,150/150,G:E:N:D,77,0.8105263157894737,85,effect,pnca_p.gly78val,0.0001437401178668,13.1456002256219,511754.463553282,0.924803768447042,139.277183326662,0.0943844491368702,0.0001628371344429,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.82,-0.2146596858638743,Destabilising,VAL,0,pnca_complex.pdb
|
||||
G78R,G,78,R,A,PZA,9.84,-0.272,Destabilising,-0.84,Destabilising,-0.0702842377260982,-0.2127659574468085,G78,GA78,1.06499,-42.0,-20.0,0.0,0.0,-20.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-4.0,0.0,0.0,0.0,0.0,-9.0,0.0,-5.0,-7.0,-6.0,0.0,-11.0,-13.0,0.03878925400097612,Destabilising,-1.34,Destabilising,-0.22847399829497017,8,0.0769230769230769,G,helix,-0.0666666666666667,4.83,GLY,-0.882,-0.7265238879736409,8,8,-0.993,-0.827,9:8,150/150,G:E:N:D,84,0.8842105263157894,91,effect,,,,,,,,,,,,,,,,,,,-0.13,-0.0340314136125654,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G78S,G,78,S,A,PZA,9.84,-0.8590000000000001,Destabilising,0.215,Stabilising,-0.2219638242894057,0.0964125560538116,G78,GA78,0.982763,-6.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-10.0,0.0,-8.0,-2.0,-2.0,0.0,-5.0,-19.0,0.035794367674589704,Destabilising,-1.528,Destabilising,-0.26052855924978685,8,0.0769230769230769,G,helix,-0.0666666666666667,4.83,GLY,-0.882,-0.7265238879736409,8,8,-0.993,-0.827,9:8,150/150,G:E:N:D,65,0.6842105263157895,80,effect,pnca_p.gly78ser,0.0002156101768003,2.27260607808817,9.7046589865305,0.0634455902260898,1.22442760158496,1.8560559033024,0.929172866365337,208.881603004981,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-0.4,-0.1047120418848167,Destabilising,SER,0,pnca_complex.pdb
|
||||
A79T,A,79,T,A,PZA,10.663,-1.881,Destabilising,-0.176,Destabilising,-0.4860465116279069,-0.044579533941236,A79,AA79,-0.0668707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,-2.0,0.0,-2.0,-5.0,-0.01285678305006537,Stabilising,-2.659,Destabilising,-0.4533674339300937,1,0.0077519379844961,G,helix,-0.6999999999999998,5.8,ALA,-0.886,-0.7298187808896212,8,8,-0.993,-0.827,9:8,150/150,Q:G:S:E:A:C:V,69,0.7263157894736842,80,effect,pnca_p.ala79thr,0.0001437401178668,-9.98752126245055,4.59700131334282e-05,0.942832958100734,139.277183325396,-0.0717096729269465,,144471.70631481,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-1.58,-0.4136125654450262,Destabilising,THR,0,pnca_complex.pdb
|
||||
A79V,A,79,V,A,PZA,10.663,-0.186,Destabilising,-1.403,Destabilising,-0.0480620155038759,-0.3553698074974671,A79,AA79,-0.825109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,-2.0,0.0,-2.0,-5.0,-0.1586381988771822,Stabilising,-1.839,Destabilising,-0.3135549872122762,1,0.0077519379844961,G,helix,-0.6999999999999998,5.8,ALA,-0.886,-0.7298187808896212,8,8,-0.993,-0.827,9:8,150/150,Q:G:S:E:A:C:V,25,0.2631578947368421,63,effect,pnca_p.ala79val,0.0003593502946672,-10.9877909019996,1.69068633684892e-05,0.939691219428539,145.229797681911,-0.0756579646696576,,60.3389082676172,0.484657419083649,-0.314565134742567,0.0,0.596111875058711,0.224672226566594,0.0,5.29224350433385,0.177777263899814,0.673290424524484,-0.64,-0.1675392670157068,Destabilising,VAL,0,pnca_complex.pdb
|
||||
F81S,F,81,S,A,PZA,11.313,-2.584,Destabilising,-0.596,Destabilising,-0.6677002583979327,-0.1509625126646403,F81,FA81,2.44385,32.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,2.0,4.0,12.0,0.0,10.0,8.0,0.08901033661375737,Destabilising,-1.725,Destabilising,-0.29411764705882354,40,0.1666666666666666,B,strand,-1.3,4.56,PHE,-0.082,-0.06754530477759474,5,5,-0.332,0.083,6:5,150/150,F:M:Y:P:V:L:I,31,0.3263157894736842,66,effect,pnca_p.phe81ser,0.0001437401178668,-9.98752126245058,4.59700131334266e-05,0.942832958100734,139.277183325397,-0.0717096729269465,,144471.70631483,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-2.58,-0.6753926701570682,Destabilising,SER,0,pnca_complex.pdb
|
||||
F81C,F,81,C,A,PZA,11.313,-1.592,Destabilising,-1.003,Destabilising,-0.4113695090439276,-0.2540526849037487,F81,FA81,2.56753,26.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,10.0,0.0,10.0,6.0,0.09351503143233852,Destabilising,-1.315,Destabilising,-0.22421142369991473,40,0.1666666666666666,B,strand,-1.3,4.56,PHE,-0.082,-0.06754530477759474,5,5,-0.332,0.083,6:5,150/150,F:M:Y:P:V:L:I,55,0.5789473684210527,75,effect,pnca_p.phe81cys,7.18700589334483e-05,12.1451538387266,188179.926264665,0.919026337424239,119.468044436241,0.101660271548249,5.01153666061863e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.85,-0.4842931937172775,Destabilising,CYS,0,pnca_complex.pdb
|
||||
F81V,F,81,V,A,PZA,11.313,-1.5630000000000002,Destabilising,-1.967,Destabilising,-0.4038759689922481,-0.4982269503546099,F81,FA81,2.08972,32.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,10.0,0.0,8.0,6.0,0.07611215116660232,Destabilising,-1.962,Destabilising,-0.3345268542199488,40,0.1666666666666666,B,strand,-1.3,4.56,PHE,-0.082,-0.06754530477759474,5,5,-0.332,0.083,6:5,150/150,F:M:Y:P:V:L:I,56,0.5894736842105263,75,effect,pnca_p.phe81val,0.0003593502946672,0.192485717774876,1.21225918982515,0.863268405978748,1.11770505415734,0.172215126932565,0.0619550849552711,8.1990567174233,1.21225820016821,0.083595130527928,1.212214074125,1.0,0.0,0.0246053772172713,12.260612593354,7.1929763849897505e-25,0.999999999999323,-1.92,-0.5026178010471204,Destabilising,VAL,0,pnca_complex.pdb
|
||||
H82R,H,82,R,A,PZA,11.736,-0.6629999999999999,Destabilising,-0.111,Destabilising,-0.1713178294573643,-0.0281155015197568,H82,HA82,-0.0040868,-34.0,-18.0,0.0,0.0,-18.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-5.0,0.0,2.0,-5.0,2.0,0.0,2.0,-2.0,-0.0007857417519034069,Stabilising,-0.923,Destabilising,-0.15737425404944586,33,0.1473214285714285,-,loop,-0.6666666666666669,4.73,HIS,-0.684,-0.5634266886326195,8,8,-0.827,-0.615,8:7,150/150,D:P:S:A:I:R:V:H,52,0.5473684210526316,75,effect,pnca_p.his82arg,0.0004312203536006,3.19016080361873,24.2923334241601,0.0035954281300594,1.09565968954934,2.91163472932996,3.915519774324,465.531063220231,24.2923336141533,1.38546923679232,24.2833096922897,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,14.1977442691074,0.0001645676755807,-0.05,-0.013089005235602,Destabilising,ARG,0,pnca_complex.pdb
|
||||
H82D,H,82,D,A,PZA,11.736,-0.198,Destabilising,0.013,Stabilising,-0.0511627906976744,0.005829596412556,H82,HA82,1.78228,26.0,-20.0,0.0,0.0,-20.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,1.0,0.0,4.0,0.0,4.0,-2.0,0.06491451715120303,Destabilising,-1.413,Destabilising,-0.24092071611253196,33,0.1473214285714285,-,loop,-0.6666666666666669,4.73,HIS,-0.684,-0.5634266886326195,8,8,-0.827,-0.615,8:7,150/150,D:P:S:A:I:R:V:H,63,0.6631578947368421,80,effect,pnca_p.his82asp,0.0001437401178668,1.57903938912402,4.85029432717735,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673665,122.683760399245,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,0.3,0.1685393258426966,Stabilising,ASP,0,pnca_complex.pdb
|
||||
H82Y,H,82,Y,A,PZA,11.736,0.591,Stabilising,-0.973,Destabilising,0.5025510204081632,-0.2464539007092198,H82,HA82,-0.6673020000000001,-26.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-6.0,-2.0,0.0,-2.0,-4.0,-0.1282977005306468,Stabilising,-0.819,Destabilising,-0.13964194373401534,33,0.1473214285714285,-,loop,-0.6666666666666669,4.73,HIS,-0.684,-0.5634266886326195,8,8,-0.827,-0.615,8:7,150/150,D:P:S:A:I:R:V:H,62,0.6526315789473685,80,effect,,,,,,,,,,,,,,,,,,,1.23,0.6910112359550562,Stabilising,TYR,0,pnca_complex.pdb
|
||||
L85R,L,85,R,A,PZA,12.428,-1.371,Destabilising,-0.8079999999999999,Destabilising,-0.3542635658914728,-0.204660587639311,L85,LA85,2.99904,-50.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-5.0,-8.0,0.0,-6.0,-6.0,0.10923156491524559,Destabilising,-1.503,Destabilising,-0.25626598465473144,9,0.044776119402985,S,loop,-0.1666666666666666,5.61,LEU,-0.734,-0.6046128500823723,8,8,-0.872,-0.674,8:7,150/150,F:V:L:I,84,0.8842105263157894,91,effect,pnca_p.leu85arg,0.0009343107661348,3.28791485229524,26.7869506340703,1.90630753051074e-05,0.768996545261044,4.27559118770699,7.18677177006371,173.199151011595,26.7869510135135,1.42792328347145,26.7708032978517,1.9896368453757e-07,6.70122618511891,5.83859157504838,247.443798048456,37.2159659891988,1.0574446237829601e-09,-0.82,-0.2146596858638743,Destabilising,ARG,0,pnca_complex.pdb
|
||||
L85P,L,85,P,A,PZA,12.428,-1.891,Destabilising,-1.426,Destabilising,-0.4886304909560723,-0.3611955420466058,L85,LA85,8.82868,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,-1.0,-2.0,4.0,0.0,-2.0,8.0,0.3215597432964984,Destabilising,-1.285,Destabilising,-0.21909633418584823,9,0.044776119402985,S,loop,-0.1666666666666666,5.61,LEU,-0.734,-0.6046128500823723,8,8,-0.872,-0.674,8:7,150/150,F:V:L:I,85,0.8947368421052632,91,effect,pnca_p.leu85pro,0.0005030904125341,3.37290329402598,29.1630732435189,0.001789077082818,1.07995768762031,3.12318096596747,4.97876379054104,550.894323518834,29.1630847029077,1.46483345924118,29.1293325978315,0.0001485295621003,3.828187099348,3.53443753556636,1331.56873199938,18.6717493808583,1.55265977742841e-05,-1.32,-0.3455497382198953,Destabilising,PRO,0,pnca_complex.pdb
|
||||
D86G,D,86,G,A,PZA,17.129,-0.094,Destabilising,-1.107,Destabilising,-0.0242894056847545,-0.2803951367781155,D86,DA86,2.19531,4.0,14.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,2.0,2.0,0.0,3.0,13.0,0.07995796880804784,Destabilising,-0.796,Destabilising,-0.13572037510656437,97,0.5025906735751295,-,loop,-0.1333333333333334,3.88,ASP,1.31,0.4198717948717949,1,1,0.842,1.712,2:1,150/150,D:P:A:G:S:T:K:R:N:L:V:Q:E:F:H,15,0.15789473684210525,59,effect,pnca_p.asp86gly,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987753,,4692673.51081135,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.24,0.1348314606741573,Stabilising,GLY,0,pnca_complex.pdb
|
||||
T87M,T,87,M,A,PZA,17.594,-0.4,Destabilising,-0.6920000000000001,Destabilising,-0.103359173126615,-0.1752786220871327,T87,TA87,-1.95982,-22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-4.0,-2.0,0.0,-2.0,0.0,-0.37680150734445894,Stabilising,-0.061,Destabilising,-0.010400682011935208,86,0.5,-,loop,-1.6666666666666667,3.72,THR,1.003,0.32147435897435894,1,1,0.59,1.183,3:1,150/150,I:R:L:V:N:Q:F:E:W:T:K:H:Y:D:P:G:M:A:S,-47,-0.5053763440860215,72,neutral,pnca_p.thr87met,0.0007905706482679,-11.9883149074727,6.21642915145485e-06,0.940801856882948,161.432542873449,-0.0742620706710335,,0.975080220739854,0.220184187397302,-0.657213873251097,0.0,0.23001103975255,0.638251318814789,0.0,1.93160031351699,1.2237252074576,0.268630815579749,-0.37,-0.0968586387434555,Destabilising,MET,0,pnca_complex.pdb
|
||||
I90T,I,90,T,A,PZA,14.878,-1.983,Destabilising,0.462,Stabilising,-0.5124031007751938,0.2071748878923767,I90,IA90,2.28269,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,2.0,0.0,0.0,2.0,0.08314053861114956,Destabilising,-2.457,Destabilising,-0.418925831202046,24,0.1218274111675127,-,loop,0.9333333333333332,4.88,ILE,0.151,0.04839743589743589,4,4,-0.147,0.225,6:4,147/150,P:S:G:A:W:D:E:F:C:I:L:V:N,42,0.4421052631578947,71,effect,pnca_p.ile90thr,0.0002874802357337,2.67848962960141,14.5630810302278,0.0202679102821363,1.15384949648317,2.3213509541454,1.8636331786073,294.488177945833,14.5631313131313,1.16325476548539,14.5631012253236,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,5.81873994206135,0.0158563003544608,-1.55,-0.4057591623036649,Destabilising,THR,0,pnca_complex.pdb
|
||||
I90S,I,90,S,A,PZA,14.878,-2.286,Destabilising,0.447,Stabilising,-0.5906976744186047,0.2004484304932735,I90,IA90,4.11572,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,0.0,0.0,0.0,0.0,0.1499034812316523,Destabilising,-2.665,Destabilising,-0.45439045183290705,24,0.1218274111675127,-,loop,0.9333333333333332,4.88,ILE,0.151,0.04839743589743589,4,4,-0.147,0.225,6:4,147/150,P:S:G:A:W:D:E:F:C:I:L:V:N,38,0.4,66,effect,pnca_p.ile90ser,0.0005030904125341,1.86781040138793,6.47410517670655,0.0145043045254535,0.764079088633845,2.44452495713176,1.42623754737829,32.8877353882374,6.47410526315789,0.811179756363585,6.47281975099898,0.0192724555107824,1.71506294819644,1.09429403734416,44.2397805449942,5.34879705543722,0.0207365726835135,-1.93,-0.5052356020942408,Destabilising,SER,0,pnca_complex.pdb
|
||||
A92V,A,92,V,A,PZA,15.57,0.941,Stabilising,-1.7819999999999998,Destabilising,0.8001700680272109,-0.4513677811550151,A92,AA92,-1.35941,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,0.0,-6.0,-4.0,0.0,-2.0,-3.0,-0.2613646850726755,Stabilising,-0.312,Destabilising,-0.053196930946291555,11,0.0852713178294573,E,strand,0.8333333333333334,4.62,ALA,0.318,0.10192307692307692,4,4,0.083,0.389,5:4,150/150,I:R:V:L:Q:E:F:W:T:K:Y:H:P:M:S:A:G,-40,-0.43010752688172044,66,neutral,,,,,,,,,,,,,,,,,,,0.55,0.3089887640449438,Stabilising,VAL,0,pnca_complex.pdb
|
||||
A92G,A,92,G,A,PZA,15.57,-0.574,Destabilising,-1.692,Destabilising,-0.1483204134366925,-0.4285714285714285,A92,AA92,1.40665,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,3.0,12.0,0.051233254904246094,Destabilising,-1.618,Destabilising,-0.2758738277919864,11,0.0852713178294573,E,strand,0.8333333333333334,4.62,ALA,0.318,0.10192307692307692,4,4,0.083,0.389,5:4,150/150,I:R:V:L:Q:E:F:W:T:K:Y:H:P:M:S:A:G,12,0.12631578947368421,59,effect,,,,,,,,,,,,,,,,,,,-0.96,-0.2513089005235602,Destabilising,GLY,0,pnca_complex.pdb
|
||||
A92P,A,92,P,A,PZA,15.57,0.14,Stabilising,-1.787,Destabilising,0.119047619047619,-0.4526342451874366,A92,AA92,0.275359,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,2.0,-2.0,-6.0,2.0,0.0,0.0,-3.0,0.010029174163564712,Destabilising,-2.918,Destabilising,-0.49752770673486785,11,0.0852713178294573,E,strand,0.8333333333333334,4.62,ALA,0.318,0.10192307692307692,4,4,0.083,0.389,5:4,150/150,I:R:V:L:Q:E:F:W:T:K:Y:H:P:M:S:A:G,9,0.09473684210526316,53,effect,pnca_p.ala92pro,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987756,,4692673.5108108,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.76,0.4269662921348314,Stabilising,PRO,0,pnca_complex.pdb
|
||||
V93G,V,93,G,A,PZA,13.206,-2.333,Destabilising,-0.958,Destabilising,-0.602842377260982,-0.2426545086119554,V93,VA93,3.06107,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,4.0,0.0,13.0,15.0,0.1114908325381158,Destabilising,-2.536,Destabilising,-0.43239556692242115,27,0.1551724137931034,E,strand,2.9333333333333336,4.76,VAL,-0.095,-0.07825370675453049,5,5,-0.332,-0.038,6:5,150/150,W:T:A:S:K:I:C:R:L:V:Q:H:Y:E,41,0.43157894736842106,71,effect,,,,,,,,,,,,,,,,,,,-2.72,-0.712041884816754,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V93L,V,93,L,A,PZA,13.206,-0.015,Destabilising,-1.213,Destabilising,-0.003875968992248,-0.3072441742654508,V93,VA93,-1.8226,-14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-8.0,0.0,-5.0,-4.0,0.0,0.0,2.0,-2.0,-0.3504191340459894,Stabilising,-0.026,Destabilising,-0.00443307757885763,27,0.1551724137931034,E,strand,2.9333333333333336,4.76,VAL,-0.095,-0.07825370675453049,5,5,-0.332,-0.038,6:5,150/150,W:T:A:S:K:I:C:R:L:V:Q:H:Y:E,-1,-0.010752688172043012,53,neutral,,,,,,,,,,,,,,,,,,,-0.52,-0.1361256544502617,Destabilising,LEU,0,pnca_complex.pdb
|
||||
F94V,F,94,V,A,PZA,10.621,-1.995,Destabilising,-1.681,Destabilising,-0.5155038759689923,-0.4257852077001013,F94,FA94,2.56655,30.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,2.0,4.0,0.0,6.0,2.0,0.09347933769913824,Destabilising,-2.927,Destabilising,-0.4990622335890878,0,0.0,E,strand,1.9,7.59,PHE,-0.13,-0.1070840197693575,5,5,-0.332,-0.038,6:5,150/150,A:F:Q:V:L:I,-5,-0.053763440860215055,53,neutral,pnca_p.phe94val,7.18700589334483e-05,-8.9874087814964,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987757,,4692673.51081231,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.82,-0.4764397905759163,Destabilising,VAL,0,pnca_complex.pdb
|
||||
F94S,F,94,S,A,PZA,10.621,-3.027,Destabilising,-0.449,Destabilising,-0.7821705426356588,-0.1137284701114488,F94,FA94,5.85272,32.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,0.0,6.0,0.0,10.0,6.0,0.21316880222029588,Destabilising,-3.24,Destabilising,-0.5524296675191817,0,0.0,E,strand,1.9,7.59,PHE,-0.13,-0.1070840197693575,5,5,-0.332,-0.038,6:5,150/150,A:F:Q:V:L:I,69,0.7263157894736842,80,effect,pnca_p.phe94ser,0.0001437401178668,13.1456002256206,511754.463552622,0.924803768446999,139.277183326568,0.0943844491369244,0.0001628371344452,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-2.74,-0.7172774869109948,Destabilising,SER,0,pnca_complex.pdb
|
||||
F94C,F,94,C,A,PZA,10.621,-1.595,Destabilising,-1.615,Destabilising,-0.4121447028423772,-0.4090678824721377,F94,FA94,4.52813,28.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,8.0,0.0,8.0,6.0,0.16492435113892145,Destabilising,-3.58,Destabilising,-0.6104006820119352,0,0.0,E,strand,1.9,7.59,PHE,-0.13,-0.1070840197693575,5,5,-0.332,-0.038,6:5,150/150,A:F:Q:V:L:I,49,0.5157894736842106,71,effect,pnca_p.phe94cys,0.0002874802357337,2.67848962960141,14.5630810302278,0.0202679102821361,1.15384949648317,2.3213509541454,1.86363317860726,294.488177945833,14.5631313131313,1.16325476548539,14.5631012253236,0.0174140488202037,1.75910024233227,1.16837785201846,760.989759542733,5.81873994206135,0.0158563003544608,-1.42,-0.3717277486910995,Destabilising,CYS,0,pnca_complex.pdb
|
||||
F94L,F,94,L,A,PZA,10.621,-1.582,Destabilising,-1.712,Destabilising,-0.4087855297157622,-0.4336372847011145,F94,FA94,1.1796,16.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-3.0,2.0,0.0,6.0,2.0,0.04296359967657107,Destabilising,-2.563,Destabilising,-0.436999147485081,0,0.0,E,strand,1.9,7.59,PHE,-0.13,-0.1070840197693575,5,5,-0.332,-0.038,6:5,150/150,A:F:Q:V:L:I,24,0.25263157894736843,63,effect,pnca_p.phe94leu,0.0005030904125341,1.86781040138793,6.47410517670654,0.0145043045254536,0.764079088633845,2.44452495713176,1.42623754737775,32.8877353882363,6.47410526315789,0.811179756363585,6.47281975099898,0.0192724555107824,1.71506294819644,1.09429403734416,44.2397805449942,5.34879705543722,0.0207365726835135,-1.99,-0.5209424083769634,Destabilising,LEU,0,pnca_complex.pdb
|
||||
Y95D,Y,95,D,A,PZA,10.528,-0.772,Destabilising,0.071,Stabilising,-0.1994832041343669,0.0318385650224215,Y95,YA95,4.78106,38.0,-12.0,0.0,0.0,-12.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,1.0,4.0,0.0,2.0,2.0,0.17413661230049754,Destabilising,-2.558,Destabilising,-0.43614663256606984,75,0.2851711026615969,E,strand,-0.8000000000000002,4.15,TYR,-0.013,-0.010708401976935749,5,5,-0.244,0.083,6:5,150/150,K:Y:H:D:G:S:M:P:L:N:C:R:E:F:Q:T,46,0.4842105263157895,71,effect,pnca_p.tyr95asp,7.18700589334483e-05,12.1451538387253,188179.926264427,0.919026337424197,119.468044436166,0.101660271548303,5.01153666068889e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.4,-0.1047120418848167,Destabilising,ASP,0,pnca_complex.pdb
|
||||
K96M,K,96,M,A,PZA,3.977,0.413,Stabilising,-1.026,Destabilising,0.3511904761904761,-0.2598784194528875,K96,KA96,0.273257,24.0,32.0,0.0,0.0,32.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-5.0,0.0,-5.0,0.0,-2.0,0.0,-2.0,-4.0,0.009952614748067804,Destabilising,-0.457,Destabilising,-0.07791986359761296,8,0.0338983050847457,E,strand,-1.8666666666666665,5.96,LYS,-1.194,-0.9835255354200988,9,9,-1.229,-1.178,9:9,150/150,K:Q,84,0.8842105263157894,91,effect,pnca_p.lys96met,0.0001437401178668,13.1456002256221,511754.463553382,0.924803768447045,139.277183326669,0.0943844491368667,0.0001628371344428,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,1.02,0.5730337078651685,Stabilising,MET,0,pnca_complex.pdb
|
||||
K96N,K,96,N,A,PZA,3.977,-1.156,Destabilising,0.325,Stabilising,-0.2987080103359172,0.1457399103139013,K96,KA96,2.61245,52.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-3.0,6.0,0.0,4.0,-2.0,0.09515111561127339,Destabilising,-3.151,Destabilising,-0.5372549019607843,8,0.0338983050847457,E,strand,-1.8666666666666665,5.96,LYS,-1.194,-0.9835255354200988,9,9,-1.229,-1.178,9:9,150/150,K:Q,90,0.9473684210526315,95,effect,pnca_p.lys96asn,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987751,,4692673.51081327,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.85,-0.2225130890052356,Destabilising,ASN,0,pnca_complex.pdb
|
||||
K96T,K,96,T,A,PZA,3.977,-0.86,Destabilising,-0.57,Destabilising,-0.2222222222222222,-0.1443768996960486,K96,KA96,3.53764,72.0,8.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,6.0,4.0,0.12884854930470066,Destabilising,-0.932,Destabilising,-0.1589087809036658,8,0.0338983050847457,E,strand,-1.8666666666666665,5.96,LYS,-1.194,-0.9835255354200988,9,9,-1.229,-1.178,9:9,150/150,K:Q,85,0.8947368421052632,91,effect,pnca_p.lys96thr,0.0009343107661348,4.06858121107736,58.473941530631,9.193364498612e-05,1.04030498364652,3.91095041842056,11.5166635599539,1065.61332397744,58.4740177439797,1.76696293519342,58.4547574725378,6.68324361543955e-09,8.17501270782547,8.64086529870195,2465.74647273772,46.7514830195167,8.05839318437163e-12,-0.61,-0.1596858638743455,Destabilising,THR,0,pnca_complex.pdb
|
||||
K96R,K,96,R,A,PZA,3.977,-0.1689999999999999,Destabilising,0.083,Stabilising,-0.0436692506459948,0.037219730941704,K96,KA96,-0.740521,-12.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,-5.0,0.0,-3.0,-5.0,-8.0,0.0,-6.0,-8.0,-0.14237502883949857,Stabilising,-2.045,Destabilising,-0.3486786018755328,8,0.0338983050847457,E,strand,-1.8666666666666665,5.96,LYS,-1.194,-0.9835255354200988,9,9,-1.229,-1.178,9:9,150/150,K:Q,85,0.8947368421052632,91,effect,pnca_p.lys96arg,0.0010780508840017,2.9697959800773,19.4879432617414,4.2195571364394e-06,0.645570763650269,4.60026405670093,6.18542852926305,85.5881348249979,19.4879594423321,1.28976636711505,19.4791388432651,1.66262776179573e-07,6.77920497212353,5.25121653678864,107.844057222035,37.591449001387,8.72260296739213e-10,-0.35,-0.0916230366492146,Destabilising,ARG,0,pnca_complex.pdb
|
||||
K96Q,K,96,Q,A,PZA,3.977,-1.318,Destabilising,-0.08,Destabilising,-0.3405684754521964,-0.0202634245187436,K96,KA96,1.04409,26.0,8.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-1.0,2.0,0.0,2.0,-2.0,0.03802803050721523,Destabilising,-1.359,Destabilising,-0.23171355498721227,8,0.0338983050847457,E,strand,-1.8666666666666665,5.96,LYS,-1.194,-0.9835255354200988,9,9,-1.229,-1.178,9:9,150/150,K:Q,78,0.8210526315789474,85,effect,pnca_p.lys96gln,0.0002874802357337,1.57937329521209,4.85191414039981,0.114342297004304,1.0002536454007,1.57897279602454,0.58188909131153,40.4562911075298,4.85191417753471,0.685913110299906,4.85118443551178,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,1.17497090855698,0.278382201819561,-0.86,-0.225130890052356,Destabilising,GLN,0,pnca_complex.pdb
|
||||
K96E,K,96,E,A,PZA,3.977,-2.119,Destabilising,-0.6729999999999999,Destabilising,-0.547545219638243,-0.1704660587639311,K96,KA96,6.924869999999999,26.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,4.0,0.0,-4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,1.0,-2.0,0.0,0.0,-2.0,0.2522188390066944,Destabilising,-2.7,Destabilising,-0.4603580562659847,8,0.0338983050847457,E,strand,-1.8666666666666665,5.96,LYS,-1.194,-0.9835255354200988,9,9,-1.229,-1.178,9:9,150/150,K:Q,89,0.9368421052631579,91,effect,pnca_p.lys96glu,0.0007905706482679,15.1494066679806,3795803.48339079,0.925233417916433,161.43254287942,0.0938435732830911,24.1993753459371,,107.166385135135,2.03005858162844,inf,3.5812015819156903e-09,8.44597123233921,12.2081619622864,inf,47.6847963834956,5.0055851012886495e-12,-1.84,-0.4816753926701571,Destabilising,GLU,0,pnca_complex.pdb
|
||||
G97D,G,97,D,A,PZA,8.236,-2.974,Destabilising,-0.248,Destabilising,-0.7684754521963824,-0.0628166160081053,G97,GA97,12.1049,-16.0,-66.0,0.0,0.0,-66.0,0.0,0.0,0.0,0.0,-6.0,0.0,0.0,-6.0,0.0,0.0,0.0,0.0,-13.0,0.0,-9.0,-13.0,-8.0,0.0,-15.0,-23.0,0.4408868071591431,Destabilising,-2.263,Destabilising,-0.385848252344416,7,0.0673076923076923,-,loop,-0.8333333333333331,4.92,GLY,-1.026,-0.8451400329489293,9,9,-1.124,-0.993,9:9,150/150,A:G,83,0.8736842105263158,91,effect,pnca_p.gly97asp,0.0025154520626706,3.38272170811945,29.4508186631222,2.5998520960761497e-12,0.483396852654822,6.9978149206837,12.4656214812387,86.4946048523286,29.4508301404853,1.46909754090074,29.4177544871982,1.1100950551901799e-18,17.9546398318646,11.2940206861184,97.32420575844,111.74678026952,4.05989172191837e-26,-1.49,-0.3900523560209424,Destabilising,ASP,0,pnca_complex.pdb
|
||||
G97C,G,97,C,A,PZA,8.236,-1.635,Destabilising,-1.158,Destabilising,-0.4224806201550387,-0.2933130699088145,G97,GA97,4.47159,-10.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-9.0,0.0,-3.0,-11.0,-8.0,0.0,-7.0,-21.0,0.16286504126632623,Destabilising,-1.484,Destabilising,-0.2530264279624893,7,0.0673076923076923,-,loop,-0.8333333333333331,4.92,GLY,-1.026,-0.8451400329489293,9,9,-1.124,-0.993,9:9,150/150,A:G,69,0.7263157894736842,80,effect,pnca_p.gly97cys,0.0007187005893344,14.1489809714057,1395803.74890115,0.890414731995348,102.692976013979,0.137779442378606,507.712885369765,,97.3828619670747,1.98848253379833,inf,2.1018584548314e-08,7.67739653395739,10.9022485555592,inf,42.8452490786805,5.924579267292849e-11,-0.7,-0.1832460732984293,Destabilising,CYS,0,pnca_complex.pdb
|
||||
G97S,G,97,S,A,PZA,8.236,-1.999,Destabilising,-0.309,Destabilising,-0.5165374677002584,-0.0782674772036474,G97,GA97,5.99386,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-7.0,0.0,-3.0,-4.0,-4.0,0.0,-7.0,-19.0,0.21830942824466962,Destabilising,-2.075,Destabilising,-0.3537936913895993,7,0.0673076923076923,-,loop,-0.8333333333333331,4.92,GLY,-1.026,-0.8451400329489293,9,9,-1.124,-0.993,9:9,150/150,A:G,72,0.7578947368421053,85,effect,pnca_p.gly97ser,0.000646830530401,14.1485589414412,1395214.80217992,0.896008552350388,108.247901040098,0.130705157379451,226.474535582214,,87.6075949367089,1.94254175795031,inf,1.23317897951184e-07,6.90897388676731,9.59561062779463,inf,38.0099632572142,7.038428913028e-10,-1.28,-0.3350785340314136,Destabilising,SER,0,pnca_complex.pdb
|
||||
G97R,G,97,R,A,PZA,8.236,-1.252,Destabilising,-0.89,Destabilising,-0.3235142118863049,-0.2254305977710233,G97,GA97,4.89479,-78.0,-34.0,0.0,0.0,-34.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-6.0,0.0,0.0,0.0,0.0,-16.0,0.0,-10.0,-15.0,-16.0,0.0,-13.0,-27.0,0.1782789064605657,Destabilising,-2.091,Destabilising,-0.3565217391304348,7,0.0673076923076923,-,loop,-0.8333333333333331,4.92,GLY,-1.026,-0.8451400329489293,9,9,-1.124,-0.993,9:9,150/150,A:G,82,0.8631578947368421,91,effect,pnca_p.gly97arg,0.0001437401178668,13.1456002256219,511754.463553323,0.924803768447043,139.277183326664,0.0943844491368691,0.0001628371344429,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.79,-0.2068062827225131,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G97A,G,97,A,A,PZA,8.236,-1.126,Destabilising,-1.721,Destabilising,-0.2909560723514211,-0.4359169199594731,G97,GA97,3.72826,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-4.0,-2.0,0.0,-1.0,-16.0,0.1357913446339207,Destabilising,-1.921,Destabilising,-0.32753623188405795,7,0.0673076923076923,-,loop,-0.8333333333333331,4.92,GLY,-1.026,-0.8451400329489293,9,9,-1.124,-0.993,9:9,150/150,A:G,66,0.6947368421052632,80,effect,,,,,,,,,,,,,,,,,,,-0.73,-0.1910994764397905,Destabilising,ALA,0,pnca_complex.pdb
|
||||
G97V,G,97,V,A,PZA,8.236,-0.588,Destabilising,-1.664,Destabilising,-0.151937984496124,-0.4214792299898683,G97,GA97,6.12241,-8.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-14.0,0.0,-8.0,-9.0,-12.0,0.0,-11.0,-23.0,0.22299149906395008,Destabilising,-2.616,Destabilising,-0.44603580562659845,7,0.0673076923076923,-,loop,-0.8333333333333331,4.92,GLY,-1.026,-0.8451400329489293,9,9,-1.124,-0.993,9:9,150/150,A:G,77,0.8105263157894737,85,effect,pnca_p.gly97val,7.18700589334483e-05,12.1451538387264,188179.926264625,0.919026337424232,119.468044436229,0.101660271548258,5.01153666063045e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.24,-0.3246073298429319,Destabilising,VAL,0,pnca_complex.pdb
|
||||
T100A,T,100,A,A,PZA,8.272,-0.5429999999999999,Destabilising,-1.759,Destabilising,-0.1403100775193798,-0.4455420466058764,T100,TA100,0.408316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,5.0,0.01487175751571617,Destabilising,0.129,Stabilising,0.10895270270270271,81,0.4709302325581395,S,loop,-0.8000000000000002,4.18,THR,1.347,0.4317307692307692,1,1,0.842,1.712,2:1,150/150,K:Y:D:P:A:G:S:R:I:V:L:N:Q:F:E:T,-36,-0.3870967741935484,66,neutral,pnca_p.thr100ala,0.0002874802357337,1.57937329521209,4.85191414039982,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091312076,40.456291107557,4.85191417753471,0.685913110299906,4.85118443551178,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,1.17497090855698,0.278382201819561,-0.1,-0.0261780104712041,Destabilising,ALA,0,pnca_complex.pdb
|
||||
T100I,T,100,I,A,PZA,8.272,0.379,Stabilising,-1.537,Destabilising,0.3222789115646258,-0.3893110435663627,T100,TA100,0.8080149999999999,-6.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,0.0,0.0,0.0,0.0,-2.0,0.029429665134507097,Destabilising,-0.042,Destabilising,-0.007161125319693095,81,0.4709302325581395,S,loop,-0.8000000000000002,4.18,THR,1.347,0.4317307692307692,1,1,0.842,1.712,2:1,150/150,K:Y:D:P:A:G:S:R:I:V:L:N:Q:F:E:T,14,0.14736842105263157,59,effect,pnca_p.thr100ile,0.000646830530401,3.66142892829214,38.9169126367816,0.0005578275078108,1.06087424525349,3.45133171502081,7.13685172054609,722.165073757354,38.9169126950654,1.59013838008863,38.9145296299157,5.5228318480997e-06,5.25783817940065,5.21074959149254,1710.75565736304,27.8738145664613,1.29490403629991e-07,-0.36,-0.094240837696335,Destabilising,ILE,0,pnca_complex.pdb
|
||||
T100P,T,100,P,A,PZA,8.272,-0.488,Destabilising,-1.685,Destabilising,-0.1260981912144702,-0.4267983789260385,T100,TA100,1.6514099999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,0.0,0.0,-2.0,-4.0,0.060147946881897445,Destabilising,-0.412,Destabilising,-0.07024722932651321,81,0.4709302325581395,S,loop,-0.8000000000000002,4.18,THR,1.347,0.4317307692307692,1,1,0.842,1.712,2:1,150/150,K:Y:D:P:A:G:S:R:I:V:L:N:Q:F:E:T,18,0.18947368421052632,59,effect,pnca_p.thr100pro,0.0005030904125341,14.1477154154513,1394038.39846607,0.908235680148,122.741582019402,0.115264242017142,22.9578143501725,,68.0817875210792,1.83303094984313,inf,4.24048522418865e-06,5.37258444573496,7.00237574052121,inf,28.35828361563,1.00814491180914e-07,0.03,0.0168539325842696,Stabilising,PRO,0,pnca_complex.pdb
|
||||
A102T,A,102,T,A,PZA,3.5,-0.7190000000000001,Destabilising,0.8809999999999999,Stabilising,-0.1857881136950904,0.395067264573991,A102,AA102,-2.02927,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-5.0,0.0,-3.0,-3.0,-4.0,0.0,-2.0,-5.0,-0.39015419518572636,Stabilising,-1.769,Destabilising,-0.301619778346121,10,0.0775193798449612,-,loop,0.0333333333333332,5.51,ALA,-0.862,-0.7100494233937397,8,8,-0.955,-0.827,9:8,150/150,M:E:S:G:A:H:Q,71,0.7473684210526316,85,effect,pnca_p.ala102thr,0.0001437401178668,13.1456002256202,511754.463552419,0.924803768446987,139.277183326542,0.0943844491369395,0.0001628371344458,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.2,-0.0523560209424083,Destabilising,THR,0,pnca_complex.pdb
|
||||
A102P,A,102,P,A,PZA,3.5,-1.249,Destabilising,-0.23,Destabilising,-0.3227390180878553,-0.058257345491388,A102,AA102,-0.6167819999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-8.0,0.0,-2.0,-6.0,-6.0,0.0,-2.0,-5.0,-0.11858455740982848,Stabilising,-2.115,Destabilising,-0.360613810741688,10,0.0775193798449612,-,loop,0.0333333333333332,5.51,ALA,-0.862,-0.7100494233937397,8,8,-0.955,-0.827,9:8,150/150,M:E:S:G:A:H:Q,83,0.8736842105263158,91,effect,pnca_p.ala102pro,0.0005749604714675,2.6796663501904,14.5802277940116,0.0010245352377103,0.816050632122414,3.28370108999368,3.35697961122126,99.5538692592317,14.5802781289507,1.16376580853041,14.5801759034061,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,15.0663448164144,0.0001037975122989,0.13,0.0730337078651685,Stabilising,PRO,0,pnca_complex.pdb
|
||||
A102V,A,102,V,A,PZA,3.5,-0.251,Destabilising,-0.162,Destabilising,-0.0648578811369509,-0.0410334346504559,A102,AA102,-1.90987,-2.0,-26.0,0.0,0.0,-26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-3.0,-2.0,-4.0,0.0,-4.0,-3.0,-0.36719795431823427,Stabilising,-1.389,Destabilising,-0.23682864450127877,10,0.0775193798449612,-,loop,0.0333333333333332,5.51,ALA,-0.862,-0.7100494233937397,8,8,-0.955,-0.827,9:8,150/150,M:E:S:G:A:H:Q,73,0.7684210526315789,85,effect,pnca_p.ala102val,0.000646830530401,0.886301112240174,2.42613901795158,0.210089452509977,0.707162944655621,1.25331950569298,0.511701209936356,9.20262713399942,2.42613636363636,0.384915207210874,2.42593660187249,0.188417082130056,0.724879726073294,0.392299288705794,11.3662890368022,0.724684701500429,0.394611528192705,-0.73,-0.1910994764397905,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A102R,A,102,R,A,PZA,3.5,-0.696,Destabilising,0.174,Stabilising,-0.17984496124031,0.0780269058295964,A102,AA102,4.1344,-76.0,-30.0,0.0,0.0,-30.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-12.0,0.0,-4.0,-10.0,-16.0,0.0,-12.0,-7.0,0.15058384749306158,Destabilising,-2.095,Destabilising,-0.35720375106564367,10,0.0775193798449612,-,loop,0.0333333333333332,5.51,ALA,-0.862,-0.7100494233937397,8,8,-0.955,-0.827,9:8,150/150,M:E:S:G:A:H:Q,81,0.8526315789473684,91,effect,pnca_p.ala102arg,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253633,119.468044435492,-0.0752285585987749,,4692673.51081367,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.28,-0.0732984293193717,Destabilising,ARG,0,pnca_complex.pdb
|
||||
Y103D,Y,103,D,A,PZA,5.416,1.176,Stabilising,0.851,Stabilising,1.0,0.3816143497757847,Y103,YA103,1.18458,34.0,-24.0,0.0,0.0,-24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,4.0,-2.0,0.0,-2.0,-2.0,0.04314498211671122,Destabilising,-0.578,Destabilising,-0.09855072463768115,138,0.5247148288973384,-,loop,-0.1,3.94,TYR,-1.175,-0.9678747940691929,9,9,-1.221,-1.152,9:9,150/150,Y:K,88,0.9263157894736842,91,effect,pnca_p.tyr103asp,0.0021561017680034,4.95817835126683,142.334276537658,1.0743991920355e-06,1.01654133277845,4.87749803317387,30.4620917601388,2537.05252258235,142.334468085106,2.1533100827021,142.74783870505,1.2391666921776101e-21,20.9068702685848,23.5556923218963,5610.51758528632,128.720903887203,7.80576752108032e-30,1.51,0.848314606741573,Stabilising,ASP,0,pnca_complex.pdb
|
||||
Y103C,Y,103,C,A,PZA,5.416,0.606,Stabilising,-0.48,Destabilising,0.5153061224489796,-0.121580547112462,Y103,YA103,1.02924,42.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,2.0,0.0,0.0,-2.0,0.0,0.03748716118270092,Destabilising,-0.498,Destabilising,-0.08491048593350384,138,0.5247148288973384,-,loop,-0.1,3.94,TYR,-1.175,-0.9678747940691929,9,9,-1.221,-1.152,9:9,150/150,Y:K,68,0.7157894736842105,80,effect,pnca_p.tyr103cys,0.0007187005893344,1.17440310243918,3.23621068095208,0.0690022741521524,0.64584247435876,1.8184048728062,0.826804878959969,11.3377530375619,3.23621052631579,0.510036766167445,3.23583471755484,0.0754031320762053,1.12261061414134,0.671078964694216,13.6617156135614,2.2626260572101,0.132529157572648,1.43,0.8033707865168539,Stabilising,CYS,0,pnca_complex.pdb
|
||||
Y103S,Y,103,S,A,PZA,5.416,0.233,Stabilising,-0.062,Destabilising,0.1981292517006803,-0.0157041540020263,Y103,YA103,1.16175,44.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,2.0,0.0,0.0,2.0,0.04231346382185185,Destabilising,-0.796,Destabilising,-0.13572037510656437,138,0.5247148288973384,-,loop,-0.1,3.94,TYR,-1.175,-0.9678747940691929,9,9,-1.221,-1.152,9:9,150/150,Y:K,85,0.8947368421052632,91,effect,pnca_p.tyr103ser,7.18700589334483e-05,12.1451538387267,188179.926264673,0.919026337424241,119.468044436244,0.101660271548247,5.01153666061564e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,0.42,0.2359550561797752,Stabilising,SER,0,pnca_complex.pdb
|
||||
Y103H,Y,103,H,A,PZA,5.416,0.779,Stabilising,-0.046,Destabilising,0.6624149659863946,-0.0116514690982776,Y103,YA103,0.909501,22.0,-22.0,0.0,0.0,-22.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,-1.0,4.0,0.0,0.0,0.0,0.0,0.0331260061626323,Destabilising,-0.683,Destabilising,-0.1164535379369139,138,0.5247148288973384,-,loop,-0.1,3.94,TYR,-1.175,-0.9678747940691929,9,9,-1.221,-1.152,9:9,150/150,Y:K,81,0.8526315789473684,91,effect,pnca_p.tyr103his,0.0001437401178668,13.1456002256202,511754.463552419,0.924803768446986,139.27718332654,0.0943844491369405,0.0001628371344458,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,1.21,0.6797752808988764,Stabilising,HIS,0,pnca_complex.pdb
|
||||
S104R,S,104,R,A,PZA,6.519,-0.525,Destabilising,-0.4379999999999999,Destabilising,-0.1356589147286821,-0.1109422492401215,S104,SA104,-0.736092,-68.0,-30.0,0.0,0.0,-30.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-8.0,0.0,-4.0,-9.0,-2.0,0.0,-4.0,-2.0,-0.14152349457817426,Stabilising,-2.325,Destabilising,-0.39641943734015345,1,0.0064516129032258,-,loop,-0.8333333333333334,5.37,SER,-1.214,-1.0,9,9,-1.229,-1.201,9:9,150/150,S,85,0.8947368421052632,91,effect,pnca_p.ser104arg,0.0005749604714675,2.6796663501904,14.5802277940117,0.0010245352377103,0.816050632122416,3.28370108999367,3.35697961122126,99.5538692592611,14.5802781289507,1.16376580853041,14.5801759034061,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,15.0663448164144,0.0001037975122989,-0.47,-0.1230366492146596,Destabilising,ARG,0,pnca_complex.pdb
|
||||
S104G,S,104,G,A,PZA,6.519,-0.6709999999999999,Destabilising,-0.7,Destabilising,-0.1733850129198966,-0.177304964539007,S104,SA104,3.32695,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,2.0,0.0,5.0,15.0,0.12117476088840974,Destabilising,-2.163,Destabilising,-0.36879795396419435,1,0.0064516129032258,-,loop,-0.8333333333333334,5.37,SER,-1.214,-1.0,9,9,-1.229,-1.201,9:9,150/150,S,81,0.8526315789473684,91,effect,pnca_p.ser104gly,0.0002156101768003,0.885806606247283,2.42493957425811,0.469406216824825,1.22442753211922,0.723445514749363,0.112662937620391,25.327054747104,2.42493692178301,0.384700446081433,2.42473736947533,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,4.31445715363782e-25,0.999999999999476,-0.68,-0.1780104712041885,Destabilising,GLY,0,pnca_complex.pdb
|
||||
S104I,S,104,I,A,PZA,6.519,0.284,Stabilising,-0.295,Destabilising,0.2414965986394557,-0.0747213779128672,S104,SA104,0.982352,-18.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-7.0,0.0,-11.0,0.0,-10.0,0.0,-6.0,-6.0,0.03577939815995163,Destabilising,-1.713,Destabilising,-0.2920716112531969,1,0.0064516129032258,-,loop,-0.8333333333333334,5.37,SER,-1.214,-1.0,9,9,-1.229,-1.201,9:9,150/150,S,82,0.8631578947368421,91,effect,,,,,,,,,,,,,,,,,,,-0.39,-0.1020942408376963,Destabilising,ILE,0,pnca_complex.pdb
|
||||
G105R,G,105,R,A,PZA,7.858,-0.974,Destabilising,-0.634,Destabilising,-0.2516795865633075,-0.1605876393110435,G105,GA105,5.20362,-98.0,-50.0,0.0,-2.0,-48.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-23.0,0.0,-8.0,-21.0,-22.0,0.0,-27.0,-39.0,0.1895271673016266,Destabilising,-1.727,Destabilising,-0.294458653026428,0,0.0,G,helix,0.5333333333333332,7.04,GLY,-0.506,-0.4168039538714992,7,7,-0.674,-0.411,7:7,150/150,A:S:M:G:I:V:L,81,0.8526315789473684,91,effect,pnca_p.gly105arg,7.18700589334483e-05,12.1451538387267,188179.926264685,0.919026337424243,119.468044436248,0.101660271548245,5.01153666061226e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.66,-0.1727748691099476,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G105V,G,105,V,A,PZA,7.858,0.1169999999999999,Stabilising,-0.85,Destabilising,0.0994897959183673,-0.2152988855116514,G105,GA105,-2.03856,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,-9.0,0.0,-1.0,-10.0,-8.0,0.0,-9.0,-21.0,-0.39194032146427743,Stabilising,-1.183,Destabilising,-0.20170502983802216,0,0.0,G,helix,0.5333333333333332,7.04,GLY,-0.506,-0.4168039538714992,7,7,-0.674,-0.411,7:7,150/150,A:S:M:G:I:V:L,68,0.7157894736842105,80,effect,pnca_p.gly105val,7.18700589334483e-05,12.1451538387264,188179.926264631,0.919026337424233,119.468044436231,0.101660271548256,5.01153666062796e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.86,-0.225130890052356,Destabilising,VAL,0,pnca_complex.pdb
|
||||
G105D,G,105,D,A,PZA,7.858,-1.651,Destabilising,0.7090000000000001,Stabilising,-0.4266149870801033,0.3179372197309417,G105,GA105,2.15123,-20.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,-2.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,-5.0,0.0,0.0,-5.0,-18.0,0.0,-15.0,-25.0,0.07835247925757034,Destabilising,-2.29,Destabilising,-0.39045183290707586,0,0.0,G,helix,0.5333333333333332,7.04,GLY,-0.506,-0.4168039538714992,7,7,-0.674,-0.411,7:7,150/150,A:S:M:G:I:V:L,79,0.8315789473684211,85,effect,pnca_p.gly105asp,0.0001437401178668,13.1456002256223,511754.463553489,0.924803768447052,139.277183326685,0.0943844491368573,0.0001628371344425,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.54,-0.4031413612565445,Destabilising,ASP,0,pnca_complex.pdb
|
||||
F106S,F,106,S,A,PZA,10.466,-2.455,Destabilising,-0.439,Destabilising,-0.6343669250645995,-0.1111955420466058,F106,FA106,4.863980000000001,32.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-4.0,0.0,0.0,0.0,0.0,8.0,0.0,4.0,5.0,6.0,0.0,-2.0,6.0,0.1771567391953613,Destabilising,-1.914,Destabilising,-0.32634271099744244,29,0.1208333333333333,G,helix,-0.3666666666666667,5.05,PHE,-1.174,-0.9670510708401977,9,9,-1.221,-1.152,9:9,150/150,F:L,73,0.7684210526315789,85,effect,pnca_p.phe106ser,7.18700589334483e-05,12.1451538387255,188179.926264447,0.9190263374242,119.468044436172,0.101660271548299,5.01153666068353e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.08,-0.5445026178010471,Destabilising,SER,0,pnca_complex.pdb
|
||||
F106C,F,106,C,A,PZA,10.466,-1.594,Destabilising,-1.068,Destabilising,-0.4118863049095607,-0.270516717325228,F106,FA106,3.977,30.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,8.0,0.0,7.0,2.0,10.0,0.0,2.0,12.0,0.14485099687497724,Destabilising,-1.577,Destabilising,-0.26888320545609545,29,0.1208333333333333,G,helix,-0.3666666666666667,5.05,PHE,-1.174,-0.9670510708401977,9,9,-1.221,-1.152,9:9,150/150,F:L,59,0.6210526315789474,75,effect,pnca_p.phe106cys,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987749,,4692673.51081193,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-2.12,-0.5549738219895288,Destabilising,CYS,0,pnca_complex.pdb
|
||||
F106V,F,106,V,A,PZA,10.466,-1.933,Destabilising,-1.625,Destabilising,-0.4994832041343669,-0.4116008105369808,F106,FA106,3.73767,30.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,4.0,3.0,10.0,0.0,2.0,8.0,0.13613407731699678,Destabilising,-2.02,Destabilising,-0.3444160272804774,29,0.1208333333333333,G,helix,-0.3666666666666667,5.05,PHE,-1.174,-0.9670510708401977,9,9,-1.221,-1.152,9:9,150/150,F:L,69,0.7263157894736842,80,effect,pnca_p.phe106val,7.18700589334483e-05,12.1451538387261,188179.926264574,0.919026337424223,119.468044436213,0.101660271548269,5.01153666064512e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.1,-0.549738219895288,Destabilising,VAL,0,pnca_complex.pdb
|
||||
F106L,F,106,L,A,PZA,10.466,-1.425,Destabilising,-1.7080000000000002,Destabilising,-0.3682170542635659,-0.4326241134751774,F106,FA106,1.92858,10.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,6.0,0.0,2.0,4.0,0.07024308160752919,Destabilising,-0.947,Destabilising,-0.16146632566069904,29,0.1208333333333333,G,helix,-0.3666666666666667,5.05,PHE,-1.174,-0.9670510708401977,9,9,-1.221,-1.152,9:9,150/150,F:L,66,0.6947368421052632,80,effect,pnca_p.phe106leu,0.0002156101768003,0.885806606247283,2.42493957425811,0.469406216824826,1.22442753211922,0.723445514749363,0.112662937620387,25.3270547471038,2.42493692178301,0.384700446081433,2.42473736947533,0.430258985168156,0.366270051463612,0.0410854444106247,46.5881472867033,4.31445715363782e-25,0.999999999999476,-1.96,-0.5130890052356021,Destabilising,LEU,0,pnca_complex.pdb
|
||||
E107D,E,107,D,A,PZA,8.13,-0.2239999999999999,Destabilising,-0.6559999999999999,Destabilising,-0.0578811369509043,-0.166160081053698,E107,EA107,0.965668,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,-1.0,4.0,-6.0,0.0,-4.0,-4.0,0.03517173056330539,Destabilising,-0.917,Destabilising,-0.15635123614663257,88,0.3946188340807174,G,helix,-0.3666666666666667,3.69,GLU,-0.068,-0.05601317957166393,5,5,-0.244,0.083,6:5,150/150,T:S:G:A:M:D:Q:F:H:Y:E:R:V:L,7,0.07368421052631578,53,effect,,,,,,,,,,,,,,,,,,,-0.02,-0.0052356020942408,Destabilising,ASP,0,pnca_complex.pdb
|
||||
G108R,G,108,R,A,PZA,10.939,-0.972,Destabilising,-1.199,Destabilising,-0.2511627906976744,-0.3036980749746707,G108,GA108,8.65723,-90.0,-46.0,0.0,0.0,-46.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-22.0,0.0,-10.0,-18.0,-18.0,0.0,-17.0,-31.0,0.31531516109528773,Destabilising,-2.025,Destabilising,-0.34526854219948844,0,0.0,-,loop,0.1,5.18,GLY,-0.947,-0.7800658978583196,9,9,-1.062,-0.872,9:8,136/150,N:V:D:G:E:A:P,53,0.5578947368421052,75,effect,pnca_p.gly108arg,0.0002874802357337,1.57937329521209,4.85191414039983,0.114342297004303,1.0002536454007,1.57897279602454,0.581889091312071,40.456291107579,4.85191417753471,0.685913110299906,4.85118443551178,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,1.17497090855698,0.278382201819561,-0.81,-0.2120418848167539,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G108E,G,108,E,A,PZA,10.939,-1.423,Destabilising,0.303,Stabilising,-0.3677002583979328,0.1358744394618834,G108,GA108,3.72313,-44.0,-66.0,0.0,0.0,-66.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-13.0,0.0,-8.0,-9.0,-12.0,0.0,-15.0,-23.0,0.1356044988672703,Destabilising,-3.566,Destabilising,-0.6080136402387041,0,0.0,-,loop,0.1,5.18,GLY,-0.947,-0.7800658978583196,9,9,-1.062,-0.872,9:8,136/150,N:V:D:G:E:A:P,39,0.4105263157894737,66,effect,,,,,,,,,,,,,,,,,,,-0.78,-0.2041884816753927,Destabilising,GLU,0,pnca_complex.pdb
|
||||
D110H,D,110,H,A,PZA,16.281,-0.7609999999999999,Destabilising,-1.3,Destabilising,-0.196640826873385,-0.3292806484295846,D110,DA110,3.05477,-10.0,20.0,0.0,0.0,20.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,-1.0,0.0,0.0,2.0,0.0,0.1112613728246855,Destabilising,-0.614,Destabilising,-0.10468883205456095,17,0.0880829015544041,-,loop,-0.9333333333333332,4.81,ASP,0.526,0.1685897435897436,3,3,0.225,0.59,4:3,128/150,Q:H:E:K:R:L:N:T:A:G:S:D,-18,-0.1935483870967742,57,neutral,,,,,,,,,,,,,,,,,,,-0.26,-0.0680628272251308,Destabilising,HIS,0,pnca_complex.pdb
|
||||
E111D,E,111,D,A,PZA,18.382,0.156,Stabilising,0.103,Stabilising,0.1326530612244898,0.0461883408071748,E111,EA111,0.183196,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.006672397089139635,Destabilising,-0.053,Destabilising,-0.009036658141517476,167,0.7488789237668162,S,loop,-3.5,3.55,GLU,1.616,0.517948717948718,1,1,1.183,1.712,1:1,132/150,T:M:S:G:A:P:D:F:E:Q:L:V:N:R:K,-55,-0.5913978494623656,78,neutral,pnca_p.glu111asp,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987759,,4692673.51081035,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.32,-0.0837696335078534,Destabilising,ASP,0,pnca_complex.pdb
|
||||
N112Y,N,112,Y,A,PZA,19.93,-0.3779999999999999,Destabilising,-0.261,Destabilising,-0.0976744186046511,-0.0661094224924012,N112,NA112,4.97901,-10.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,4.0,0.0,0.0,4.0,0.1813463821851849,Destabilising,-0.297,Destabilising,-0.050639386189258305,109,0.558974358974359,S,loop,-2.466666666666667,3.54,ASN,0.77,0.24679487179487178,2,2,0.389,0.842,4:2,131/150,K:R:N:V:Q:E:H:D:P:S:M:G:A:T,26,0.2736842105263158,63,effect,,,,,,,,,,,,,,,,,,,-0.25,-0.0654450261780104,Destabilising,TYR,0,pnca_complex.pdb
|
||||
T114M,T,114,M,A,PZA,17.491,0.246,Stabilising,-1.152,Destabilising,0.2091836734693878,-0.2917933130699088,T114,TA114,-0.0405939,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,-6.0,0.0,0.0,-6.0,0.0,0.0,0.0,2.0,-0.007804718141967239,Stabilising,-0.077,Destabilising,-0.013128729752770673,29,0.1686046511627907,-,loop,-0.9,4.57,THR,-0.224,-0.18451400329489293,6,6,-0.411,-0.147,7:6,148/150,S:A:P:D:H:K:T:W:E:Q:V:N:L:I:R:C,25,0.2631578947368421,63,effect,pnca_p.thr114met,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987751,,4692673.51081327,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.38,0.2134831460674157,Stabilising,MET,0,pnca_complex.pdb
|
||||
T114P,T,114,P,A,PZA,17.491,-0.6509999999999999,Destabilising,-1.3219999999999998,Destabilising,-0.1682170542635658,-0.3348530901722391,T114,TA114,5.39158,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-2.0,2.0,-4.0,0.0,4.0,0.0,-2.0,6.0,0.19637307964073167,Destabilising,-2.268,Destabilising,-0.38670076726342706,29,0.1686046511627907,-,loop,-0.9,4.57,THR,-0.224,-0.18451400329489293,6,6,-0.411,-0.147,7:6,148/150,S:A:P:D:H:K:T:W:E:Q:V:N:L:I:R:C,34,0.35789473684210527,66,effect,pnca_p.thr114pro,7.18700589334483e-05,12.1451538387266,188179.926264667,0.91902633742424,119.468044436242,0.101660271548248,5.01153666061746e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.1,-0.0261780104712041,Destabilising,PRO,0,pnca_complex.pdb
|
||||
P115L,P,115,L,A,PZA,16.985,-0.4479999999999999,Destabilising,-0.972,Destabilising,-0.1157622739018087,-0.2462006079027355,P115,PA115,0.979724,-14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-4.0,-5.0,-2.0,0.0,-2.0,0.0,0.03568368067949213,Destabilising,-0.8,Destabilising,-0.13640238704177324,50,0.3144654088050314,B,strand,0.4999999999999998,4.3,PRO,0.774,0.24807692307692308,2,2,0.389,0.842,4:2,147/150,T:G:A:S:P:D:E:Q:L:N:K:R,8,0.08421052631578947,53,effect,pnca_p.pro115leu,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253632,119.46804443549,-0.0752285585987761,,4692673.51081015,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.55,-0.143979057591623,Destabilising,LEU,0,pnca_complex.pdb
|
||||
L116V,L,116,V,A,PZA,13.071,-1.084,Destabilising,-1.648,Destabilising,-0.2801033591731266,-0.4174265450861196,L116,LA116,1.87491,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,2.0,0.0,0.0,2.0,0.06828830338216334,Destabilising,-1.706,Destabilising,-0.2908780903665814,0,0.0,H,helix,2.0,6.86,LEU,-0.924,-0.7611202635914334,8,8,-1.028,-0.872,9:8,147/150,I:V:L:M:A:T:F,48,0.5052631578947369,71,effect,pnca_p.leu116val,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987746,,4692673.510814,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.62,0.348314606741573,Stabilising,VAL,0,pnca_complex.pdb
|
||||
L116R,L,116,R,A,PZA,13.071,-1.733,Destabilising,-0.78,Destabilising,-0.4478036175710594,-0.1975683890577507,L116,LA116,4.65552,-54.0,-52.0,0.0,-2.0,-50.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-6.0,0.0,1.0,-7.0,-4.0,0.0,-12.0,0.0,0.16956417223318934,Destabilising,-4.189,Destabilising,-0.7142369991474851,0,0.0,H,helix,2.0,6.86,LEU,-0.924,-0.7611202635914334,8,8,-1.028,-0.872,9:8,147/150,I:V:L:M:A:T:F,85,0.8947368421052632,91,effect,pnca_p.leu116arg,7.18700589334483e-05,12.1451538387266,188179.926264668,0.91902633742424,119.468044436243,0.101660271548248,5.01153666061721e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.89,-0.4947643979057591,Destabilising,ARG,0,pnca_complex.pdb
|
||||
L116P,L,116,P,A,PZA,13.071,-1.386,Destabilising,-1.504,Destabilising,-0.3581395348837209,-0.3809523809523809,L116,LA116,3.74372,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,2.0,-3.0,-2.0,8.0,0.0,0.0,8.0,0.13635443148624335,Destabilising,-2.595,Destabilising,-0.4424552429667519,0,0.0,H,helix,2.0,6.86,LEU,-0.924,-0.7611202635914334,8,8,-1.028,-0.872,9:8,147/150,I:V:L:M:A:T:F,89,0.9368421052631579,91,effect,pnca_p.leu116pro,0.0002156101768003,2.27260607808816,9.70465898653047,0.0634455902260904,1.22442760158496,1.8560559033024,0.929172866365899,208.881603004966,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,0.06,0.0337078651685393,Stabilising,PRO,0,pnca_complex.pdb
|
||||
L117R,L,117,R,A,PZA,17.11,-0.6779999999999999,Destabilising,-0.585,Destabilising,-0.1751937984496124,-0.148176291793313,L117,LA117,0.0947913,-28.0,-26.0,0.0,-2.0,-24.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,4.0,0.0,1.0,4.0,2.0,0.0,2.0,0.0,0.0034525054815375982,Destabilising,-1.884,Destabilising,-0.3212276214833759,50,0.2487562189054726,H,helix,1.3666666666666665,4.46,LEU,0.447,0.14326923076923076,3,3,0.083,0.59,5:3,147/150,D:P:G:S:A:T:K:V:L:E:H,9,0.09473684210526316,53,effect,pnca_p.leu117arg,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987753,,4692673.51081308,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.23,-0.0602094240837696,Destabilising,ARG,0,pnca_complex.pdb
|
||||
N118E,N,118,E,A,PZA,19.738,0.78,Stabilising,-0.713,Destabilising,0.663265306122449,-0.1805977710233029,N118,NA118,-2.32726,-6.0,-14.0,0.0,0.0,-14.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,-2.0,0.0,0.0,0.0,-0.447446743059294,Stabilising,0.371,Stabilising,0.3133445945945946,80,0.4102564102564102,H,helix,-0.2,4.06,ASN,0.692,0.22179487179487178,2,2,0.389,0.842,4:2,146/150,N:R:K:E:Y:Q:D:A:M:S:G:T,-29,-0.3118279569892473,61,neutral,,,,,,,,,,,,,,,,,,,-0.19,-0.0497382198952879,Destabilising,GLU,0,pnca_complex.pdb
|
||||
W119C,W,119,C,A,PZA,19.722,-1.743,Destabilising,-1.4980000000000002,Destabilising,-0.4503875968992248,-0.3794326241134752,W119,WA119,4.0665,42.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,-1.0,4.0,12.0,0.0,10.0,10.0,0.14811078169275707,Destabilising,-2.343,Destabilising,-0.39948849104859335,14,0.0491228070175438,H,helix,-0.2,5.7,TRP,0.224,0.07179487179487179,4,4,-0.038,0.389,5:4,146/150,T:G:S:M:A:W:Q:F:E:Y:I:R:L:V,48,0.5052631578947369,71,effect,pnca_p.trp119cys,7.18700589334483e-05,12.1451538387261,188179.926264578,0.919026337424224,119.468044436214,0.101660271548269,5.01153666064432e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.91,-0.5,Destabilising,CYS,0,pnca_complex.pdb
|
||||
W119R,W,119,R,A,PZA,19.722,-1.874,Destabilising,-0.807,Destabilising,-0.4842377260981912,-0.2044072948328267,W119,WA119,3.612130000000001,-4.0,-30.0,0.0,-2.0,-28.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-2.0,0.0,-5.0,-1.0,0.0,0.0,2.0,0.0,0.1315616372496886,Destabilising,-2.916,Destabilising,-0.4971867007672634,14,0.0491228070175438,H,helix,-0.2,5.7,TRP,0.224,0.07179487179487179,4,4,-0.038,0.389,5:4,146/150,T:G:S:M:A:W:Q:F:E:Y:I:R:L:V,70,0.7368421052631579,85,effect,pnca_p.trp119arg,0.0005030904125341,1.86781040138793,6.47410517670654,0.0145043045254536,0.764079088633846,2.44452495713176,1.4262375473788,32.8877353882417,6.47410526315789,0.811179756363585,6.47281975099898,0.0192724555107824,1.71506294819644,1.09429403734416,44.2397805449942,5.34879705543722,0.0207365726835135,-1.89,-0.4947643979057591,Destabilising,ARG,0,pnca_complex.pdb
|
||||
W119G,W,119,G,A,PZA,19.722,-2.983,Destabilising,-1.84,Destabilising,-0.7708010335917312,-0.4660587639311044,W119,WA119,5.88168,52.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,-3.0,6.0,18.0,0.0,15.0,31.0,0.21422358845854064,Destabilising,-3.318,Destabilising,-0.5657289002557545,14,0.0491228070175438,H,helix,-0.2,5.7,TRP,0.224,0.07179487179487179,4,4,-0.038,0.389,5:4,146/150,T:G:S:M:A:W:Q:F:E:Y:I:R:L:V,70,0.7368421052631579,85,effect,pnca_p.trp119gly,0.0001437401178668,13.1456002256201,511754.463552391,0.924803768446985,139.277183326538,0.0943844491369419,0.0001628371344459,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-3.39,-0.8874345549738221,Destabilising,GLY,0,pnca_complex.pdb
|
||||
W119S,W,119,S,A,PZA,19.722,-3.136,Destabilising,-0.995,Destabilising,-0.8103359173126615,-0.2520263424518744,W119,WA119,4.6385,44.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,6.0,14.0,0.0,10.0,12.0,0.16894426678516014,Destabilising,-2.258,Destabilising,-0.38499573742540494,14,0.0491228070175438,H,helix,-0.2,5.7,TRP,0.224,0.07179487179487179,4,4,-0.038,0.389,5:4,146/150,T:G:S:M:A:W:Q:F:E:Y:I:R:L:V,66,0.6947368421052632,80,effect,pnca_p.trp119ser,0.0001437401178668,13.1456002256241,511754.463554449,0.924803768447112,139.277183326815,0.0943844491367826,0.0001628371344395,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-3.44,-0.9005235602094241,Destabilising,SER,0,pnca_complex.pdb
|
||||
W119L,W,119,L,A,PZA,19.722,-1.981,Destabilising,-2.11,Destabilising,-0.5118863049095607,-0.5344478216818642,W119,WA119,2.39227,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,1.0,12.0,0.0,6.0,8.0,0.08713168073776761,Destabilising,-1.186,Destabilising,-0.2022165387894288,14,0.0491228070175438,H,helix,-0.2,5.7,TRP,0.224,0.07179487179487179,4,4,-0.038,0.389,5:4,146/150,T:G:S:M:A:W:Q:F:E:Y:I:R:L:V,32,0.3368421052631579,66,effect,,,,,,,,,,,,,,,,,,,-1.92,-0.5026178010471204,Destabilising,LEU,0,pnca_complex.pdb
|
||||
L120P,L,120,P,A,PZA,17.55,-2.181,Destabilising,-1.644,Destabilising,-0.5635658914728682,-0.4164133738601824,L120,LA120,7.59698,16.0,16.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,2.0,2.0,2.0,-2.0,0.0,0.0,0.0,0.0,0.0,4.0,-4.0,-2.0,8.0,0.0,2.0,4.0,0.2766985482120354,Destabilising,-4.748,Destabilising,-0.8095481670929241,0,0.0,H,helix,-0.5333333333333335,8.07,LEU,-1.142,-0.9406919275123558,9,9,-1.201,-1.124,9:9,147/150,F:V:L,79,0.8315789473684211,85,effect,pnca_p.leu120pro,0.0018686215322696,15.1557612752458,3820001.12561286,0.885234541058746,105.002771503186,0.14433677376588,15316.7789340045,2.0462689242793896e+16,254.917127071823,2.40639901531589,inf,1.0165082312418301e-20,19.9928891002838,32.1173872780919,inf,120.509921037495,4.89215110948636e-28,-1.51,-0.3952879581151832,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L120R,L,120,R,A,PZA,17.55,-2.51,Destabilising,-0.772,Destabilising,-0.648578811369509,-0.1955420466058764,L120,LA120,5.6624,-44.0,-32.0,0.0,-2.0,-30.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,0.0,-13.0,-8.0,0.0,-12.0,-4.0,0.20623693354409633,Destabilising,-4.716,Destabilising,-0.8040920716112532,0,0.0,H,helix,-0.5333333333333335,8.07,LEU,-1.142,-0.9406919275123558,9,9,-1.201,-1.124,9:9,147/150,F:V:L,74,0.7789473684210526,85,effect,pnca_p.leu120arg,0.0005030904125341,2.4969239337312,12.1450773794065,0.0028293218857323,0.83629495944555,2.98569769616526,2.61610833083038,84.8371270839259,12.1451137320977,1.08440158608155,12.1416664151504,0.0022516005975125,2.64750864476206,1.98635523014012,127.719946645636,11.0019205274607,0.0009101752788745,-1.93,-0.5052356020942408,Destabilising,ARG,0,pnca_complex.pdb
|
||||
R121W,R,121,W,A,PZA,22.533,-0.5379999999999999,Destabilising,-0.426,Destabilising,-0.1390180878552971,-0.10790273556231,R121,RA121,1.95975,6.0,18.0,0.0,2.0,16.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-6.0,-2.0,0.07137836085635822,Destabilising,-0.442,Destabilising,-0.07536231884057971,125,0.4562043795620438,H,helix,-1.4,3.76,ARG,0.506,0.1621794871794872,3,3,0.225,0.59,4:3,147/150,D:T:A:S:G:L:N:C:R:K:I:H:E:Q,70,0.7368421052631579,85,effect,,,,,,,,,,,,,,,,,,,-0.5,-0.1308900523560209,Destabilising,TRP,0,pnca_complex.pdb
|
||||
R121Q,R,121,Q,A,PZA,22.533,-0.1689999999999999,Destabilising,-0.674,Destabilising,-0.0436692506459948,-0.1707193515704154,R121,RA121,1.41722,22.0,18.0,0.0,2.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,-1.0,-2.0,0.0,-2.0,2.0,0.05161823731233473,Destabilising,-0.286,Destabilising,-0.048763853367433926,125,0.4562043795620438,H,helix,-1.4,3.76,ARG,0.506,0.1621794871794872,3,3,0.225,0.59,4:3,147/150,D:T:A:S:G:L:N:C:R:K:I:H:E:Q,1,0.010526315789473684,53,effect,pnca_p.arg121gln,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987758,,4692673.51080988,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.53,-0.1387434554973822,Destabilising,GLN,0,pnca_complex.pdb
|
||||
R121P,R,121,P,A,PZA,22.533,-0.46,Destabilising,-1.047,Destabilising,-0.1188630490956072,-0.2651975683890577,R121,RA121,4.90155,40.0,20.0,0.0,2.0,18.0,0.0,0.0,0.0,0.0,4.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,-3.0,-2.0,4.0,0.0,4.0,0.0,0.1785251203752941,Destabilising,-1.076,Destabilising,-0.183461210571185,125,0.4562043795620438,H,helix,-1.4,3.76,ARG,0.506,0.1621794871794872,3,3,0.225,0.59,4:3,147/150,D:T:A:S:G:L:N:C:R:K:I:H:E:Q,77,0.8105263157894737,85,effect,pnca_p.arg121pro,7.18700589334483e-05,12.1451538387264,188179.926264617,0.919026337424231,119.468044436227,0.101660271548259,5.01153666063191e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.11,-0.0287958115183246,Destabilising,PRO,0,pnca_complex.pdb
|
||||
Q122R,Q,122,R,A,PZA,24.683000000000003,0.113,Stabilising,-0.114,Destabilising,0.0960884353741496,-0.0288753799392097,Q122,QA122,-1.69455,-24.0,-1.0,0.0,0.0,-1.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,-1.0,2.0,0.0,0.0,2.0,-0.3257998154272091,Stabilising,-0.152,Destabilising,-0.025916453537936913,132,0.5866666666666667,T,loop,-4.166666666666667,3.49,GLN,1.334,0.4275641025641026,1,1,0.842,1.712,2:1,147/150,D:T:S:M:A:G:K:R:N:Q:H:E:Y,-41,-0.44086021505376344,72,neutral,,,,,,,,,,,,,,,,,,,-0.16,-0.0418848167539267,Destabilising,ARG,0,pnca_complex.pdb
|
||||
R123P,R,123,P,A,PZA,23.59,-0.348,Destabilising,-0.955,Destabilising,-0.089922480620155,-0.2418946301925025,R123,RA123,3.5335300000000003,42.0,16.0,0.0,2.0,14.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,4.0,2.0,-2.0,0.0,6.0,0.0,2.0,4.0,0.12869885415831994,Destabilising,-1.065,Destabilising,-0.1815856777493606,98,0.3576642335766423,T,loop,-2.8000000000000003,3.81,ARG,0.659,0.21121794871794872,3,3,0.389,0.842,4:2,147/150,Q:H:F:Y:E:K:I:C:R:N:V:L:T:A:M,54,0.5684210526315789,75,effect,pnca_p.arg123pro,0.0001437401178668,13.1456002256242,511754.463554485,0.924803768447114,139.27718332682,0.0943844491367796,0.0001628371344393,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.23,-0.0602094240837696,Destabilising,PRO,0,pnca_complex.pdb
|
||||
R123G,R,123,G,A,PZA,23.59,-1.212,Destabilising,-1.129,Destabilising,-0.3131782945736434,-0.28596757852077,R123,RA123,2.77078,50.0,16.0,0.0,2.0,14.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,-3.0,6.0,0.0,11.0,17.0,0.10091783885372124,Destabilising,-1.005,Destabilising,-0.1713554987212276,98,0.3576642335766423,T,loop,-2.8000000000000003,3.81,ARG,0.659,0.21121794871794872,3,3,0.389,0.842,4:2,147/150,Q:H:F:Y:E:K:I:C:R:N:V:L:T:A:M,51,0.5368421052631579,75,effect,,,,,,,,,,,,,,,,,,,-0.9,-0.2356020942408377,Destabilising,GLY,0,pnca_complex.pdb
|
||||
G124R,G,124,R,A,PZA,26.025,-0.757,Destabilising,-0.075,Destabilising,-0.1956072351421188,-0.0189969604863221,G124,GA124,-0.489243,-20.0,-14.0,0.0,-2.0,-12.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-2.0,0.0,-5.0,-2.0,4.0,0.0,-1.0,1.0,-0.09406348534953472,Stabilising,-0.439,Destabilising,-0.07485080988917306,36,0.3461538461538461,T,loop,-0.2333333333333332,3.58,GLY,1.071,0.3432692307692307,1,1,0.59,1.183,3:1,147/150,A:S:G:D:Q:E:R:K:N,28,0.29473684210526313,63,effect,,,,,,,,,,,,,,,,,,,-0.47,-0.1230366492146596,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G124S,G,124,S,A,PZA,26.025,-1.24,Destabilising,0.612,Stabilising,-0.3204134366925064,0.274439461883408,G124,GA124,1.1133,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,0.0,0.0,0.0,-3.0,-9.0,0.04054880935904253,Destabilising,-0.85,Destabilising,-0.14492753623188404,36,0.3461538461538461,T,loop,-0.2333333333333332,3.58,GLY,1.071,0.3432692307692307,1,1,0.59,1.183,3:1,147/150,A:S:G:D:Q:E:R:K:N,-22,-0.23655913978494625,61,neutral,pnca_p.gly124ser,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987759,,4692673.51081215,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.39,-0.1020942408376963,Destabilising,SER,0,pnca_complex.pdb
|
||||
V125G,V,125,G,A,PZA,21.367,-3.005,Destabilising,-1.814,Destabilising,-0.7764857881136951,-0.4594731509625127,V125,VA125,3.83404,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-1.0,0.0,8.0,0.0,13.0,21.0,0.13964408248894586,Destabilising,-3.24,Destabilising,-0.5524296675191817,0,0.0,-,loop,0.1,6.12,VAL,-0.095,-0.07825370675453049,5,5,-0.332,-0.038,6:5,147/150,I:L:V:Q:F:A:E,70,0.7368421052631579,85,effect,pnca_p.val125gly,0.0031622825930717,4.21078388085649,67.4093600119011,1.83664466117051e-12,0.597583217500306,7.04635564979589,24.5112444006964,278.636893097378,67.409751924722,1.82872272889042,67.3855171102593,2.05851007546474e-28,27.6864470029886,21.4729050424094,338.090551978209,174.918303180059,6.238026108181269e-40,-2.63,-0.6884816753926701,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V125D,V,125,D,A,PZA,21.367,-3.013,Destabilising,-0.358,Destabilising,-0.7785529715762274,-0.0906788247213779,V125,VA125,3.9883,-8.0,-32.0,0.0,-2.0,-30.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-6.0,-1.0,2.0,0.0,2.0,-2.0,0.1452625674720824,Destabilising,-4.507,Destabilising,-0.7684569479965898,0,0.0,-,loop,0.1,6.12,VAL,-0.095,-0.07825370675453049,5,5,-0.332,-0.038,6:5,147/150,I:L:V:Q:F:A:E,74,0.7789473684210526,85,effect,pnca_p.val125asp,0.0002156101768003,-9.98760797391818,4.5966027178939e-05,0.930014323968984,113.719344729606,-0.0878268160765965,,127.948735098941,0.807902480033628,-0.0926410587047397,0.0,1.0,0.0,0.0,11.7369754738005,0.000393645565148,0.984170607395186,-2.67,-0.6989528795811518,Destabilising,ASP,0,pnca_complex.pdb
|
||||
V125F,V,125,F,A,PZA,21.367,-1.739,Destabilising,-1.707,Destabilising,-0.4493540051679586,-0.432370820668693,V125,VA125,4.56,-20.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-11.0,0.0,-6.0,-10.0,-2.0,0.0,-6.0,-2.0,0.16608512591146496,Destabilising,-1.65,Destabilising,-0.28132992327365725,0,0.0,-,loop,0.1,6.12,VAL,-0.095,-0.07825370675453049,5,5,-0.332,-0.038,6:5,147/150,I:L:V:Q:F:A:E,48,0.5052631578947369,71,effect,pnca_p.val125phe,0.0001437401178668,-9.98752126245059,4.59700131334263e-05,0.942832958100734,139.277183325398,-0.0717096729269461,,144471.706314848,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-1.72,-0.4502617801047121,Destabilising,PHE,0,pnca_complex.pdb
|
||||
V125A,V,125,A,A,PZA,21.367,-2.449,Destabilising,-1.941,Destabilising,-0.6328165374677002,-0.4916413373860182,V125,VA125,2.08114,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,2.0,4.0,0.0,4.0,5.0,0.07579964889021627,Destabilising,-2.189,Destabilising,-0.373231031543052,0,0.0,-,loop,0.1,6.12,VAL,-0.095,-0.07825370675453049,5,5,-0.332,-0.038,6:5,147/150,I:L:V:Q:F:A:E,49,0.5157894736842106,71,effect,,,,,,,,,,,,,,,,,,,-1.89,-0.4947643979057591,Destabilising,ALA,0,pnca_complex.pdb
|
||||
D126E,D,126,E,A,PZA,23.083,-0.157,Destabilising,0.035,Stabilising,-0.0405684754521963,0.0156950672645739,D126,DA126,-0.5659569999999999,-2.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,-1.0,0.0,0.0,0.0,-2.0,-0.10881277397523648,Stabilising,-0.068,Destabilising,-0.011594202898550725,66,0.3419689119170984,-,loop,-0.9333333333333332,4.35,ASP,3.12,1.0,1,1,1.712,3.125,1:1,147/150,D:T:M:S:A:G:L:N:V:K:R:H:E:Y:Q,-71,-0.7634408602150538,87,neutral,,,,,,,,,,,,,,,,,,,-0.55,-0.143979057591623,Destabilising,GLU,0,pnca_complex.pdb
|
||||
E127D,E,127,D,A,PZA,20.54,-1.341,Destabilising,-1.005,Destabilising,-0.3465116279069767,-0.2545592705167173,E127,EA127,2.77841,6.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,-2.0,-3.0,0.0,0.0,0.0,0.0,0.10119574006220908,Destabilising,-0.674,Destabilising,-0.11491901108269395,55,0.2466367713004484,E,strand,-0.9333333333333332,5.17,GLU,0.916,0.2935897435897436,2,2,0.59,1.183,3:1,147/150,D:T:S:G:A:R:K:N:L:Q:H:E,-42,-0.45161290322580644,72,neutral,,,,,,,,,,,,,,,,,,,-1.29,-0.3376963350785341,Destabilising,ASP,0,pnca_complex.pdb
|
||||
E127V,E,127,V,A,PZA,20.54,0.4539999999999999,Stabilising,-2.247,Destabilising,0.3860544217687074,-0.5691489361702128,E127,EA127,-0.8679600000000001,14.0,24.0,0.0,4.0,20.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,0.0,-2.0,0.0,-2.0,-2.0,-0.16687687456740755,Stabilising,-0.221,Destabilising,-0.03768115942028986,55,0.2466367713004484,E,strand,-0.9333333333333332,5.17,GLU,0.916,0.2935897435897436,2,2,0.59,1.183,3:1,147/150,D:T:S:G:A:R:K:N:L:Q:H:E,12,0.12631578947368421,59,effect,,,,,,,,,,,,,,,,,,,-0.33,-0.0863874345549738,Destabilising,VAL,0,pnca_complex.pdb
|
||||
V128F,V,128,F,A,PZA,16.575,-1.849,Destabilising,-2.082,Destabilising,-0.4777777777777777,-0.5273556231003039,V128,VA128,2.63855,-34.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-11.0,0.0,-3.0,-10.0,-4.0,0.0,-2.0,-8.0,0.09610173442405612,Destabilising,-1.167,Destabilising,-0.1989769820971867,0,0.0,E,strand,-0.9333333333333332,8.31,VAL,-0.394,-0.3245469522240527,6,6,-0.553,-0.332,7:6,147/150,V:L:I:A,58,0.6105263157894737,75,effect,pnca_p.val128phe,7.18700589334483e-05,12.1451538387252,188179.926264397,0.919026337424191,119.468044436157,0.101660271548309,5.01153666069775e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.73,-0.4528795811518324,Destabilising,PHE,0,pnca_complex.pdb
|
||||
V128G,V,128,G,A,PZA,16.575,-3.564,Destabilising,-1.823,Destabilising,-0.9209302325581394,-0.4617527862208714,V128,VA128,4.66562,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,7.0,23.0,0.16993203621821254,Destabilising,-4.952,Destabilising,-0.8443307757885763,0,0.0,E,strand,-0.9333333333333332,8.31,VAL,-0.394,-0.3245469522240527,6,6,-0.553,-0.332,7:6,147/150,V:L:I:A,75,0.7894736842105263,85,effect,pnca_p.val128gly,0.0010061808250682,3.37534823794128,29.2344625578696,9.91219225447489e-06,0.763812419492775,4.41908006704415,7.9656644717311,187.959563815878,29.234474017744,1.46589528448265,29.200882251631,3.94377277607243e-08,7.40408811526751,6.49943487243223,267.206211303594,41.8296883276733,9.95798685333635e-11,-3.82,-1.0,Destabilising,GLY,0,pnca_complex.pdb
|
||||
D129N,D,129,N,A,PZA,14.781,-0.735,Destabilising,-3.245,Destabilising,-0.189922480620155,-0.8219351570415401,D129,DA129,1.83782,-2.0,38.0,0.0,4.0,34.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,0.0,2.0,0.0,0.06693740484706329,Destabilising,-2.127,Destabilising,-0.36265984654731453,0,0.0,E,strand,1.6333333333333335,7.77,ASP,0.074,0.023717948717948717,5,5,-0.147,0.225,6:4,147/150,I:V:L:E:Y:H:F:D:W:S:A:T,72,0.7578947368421053,85,effect,pnca_p.asp129asn,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987741,,4692673.51081231,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.87,-0.2277486910994764,Destabilising,ASN,0,pnca_complex.pdb
|
||||
D129G,D,129,G,A,PZA,14.781,-0.65,Destabilising,-3.948,Destabilising,-0.1679586563307493,-1.0,D129,DA129,4.68356,34.0,36.0,0.0,4.0,32.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,4.0,0.0,11.0,19.0,0.1705854500688379,Destabilising,-2.685,Destabilising,-0.4578005115089514,0,0.0,E,strand,1.6333333333333335,7.77,ASP,0.074,0.023717948717948717,5,5,-0.147,0.225,6:4,147/150,I:V:L:E:Y:H:F:D:W:S:A:T,77,0.8105263157894737,85,effect,pnca_p.asp129gly,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435492,-0.0752285585987749,,4692673.51081121,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.43,-0.112565445026178,Destabilising,GLY,0,pnca_complex.pdb
|
||||
D129Y,D,129,Y,A,PZA,14.781,0.187,Stabilising,-2.832,Destabilising,0.1590136054421768,-0.7173252279635258,D129,DA129,3.80937,-40.0,34.0,0.0,4.0,30.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-8.0,0.0,-3.0,-5.0,8.0,0.0,4.0,2.0,0.13874554738889414,Destabilising,0.436,Stabilising,0.36824324324324326,0,0.0,E,strand,1.6333333333333335,7.77,ASP,0.074,0.023717948717948717,5,5,-0.147,0.225,6:4,147/150,I:V:L:E:Y:H:F:D:W:S:A:T,42,0.4421052631578947,71,effect,pnca_p.asp129tyr,7.18700589334483e-05,12.1451538387262,188179.926264589,0.919026337424226,119.468044436217,0.101660271548266,5.0115366606409e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,0.12,0.0674157303370786,Stabilising,TYR,0,pnca_complex.pdb
|
||||
V130A,V,130,A,A,PZA,10.402,-2.827,Destabilising,-1.3769999999999998,Destabilising,-0.7304909560723514,-0.3487841945288753,V130,VA130,3.70939,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,4.0,0.0,4.0,3.0,0.1351040581589318,Destabilising,-2.959,Destabilising,-0.5045183290707588,0,0.0,E,strand,1.6333333333333335,11.27,VAL,0.064,0.020512820512820513,5,5,-0.147,0.225,6:4,147/150,M:F:D:C:I:L:V,51,0.5368421052631579,75,effect,pnca_p.val130ala,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987751,,4692673.51081327,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-2.32,-0.6073298429319371,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V130M,V,130,M,A,PZA,10.402,-1.539,Destabilising,-2.265,Destabilising,-0.3976744186046512,-0.5737082066869301,V130,VA130,-0.7073020000000001,-58.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,3.0,-5.0,-4.0,0.0,2.0,-6.0,-0.1359882334845805,Stabilising,-2.385,Destabilising,-0.4066496163682864,0,0.0,E,strand,1.6333333333333335,11.27,VAL,0.064,0.020512820512820513,5,5,-0.147,0.225,6:4,147/150,M:F:D:C:I:L:V,34,0.35789473684210527,66,effect,pnca_p.val130met,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987741,,4692673.5108132,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.31,-0.3429319371727748,Destabilising,MET,0,pnca_complex.pdb
|
||||
V130G,V,130,G,A,PZA,10.402,-3.429,Destabilising,-1.126,Destabilising,-0.8860465116279069,-0.2852077001013171,V130,VA130,5.77612,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,8.0,0.0,9.0,23.0,0.21037886348239715,Destabilising,-4.805,Destabilising,-0.8192668371696504,0,0.0,E,strand,1.6333333333333335,11.27,VAL,0.064,0.020512820512820513,5,5,-0.147,0.225,6:4,147/150,M:F:D:C:I:L:V,73,0.7684210526315789,85,effect,pnca_p.val130gly,0.0001437401178668,13.1456002256202,511754.463552424,0.924803768446987,139.277183326542,0.0943844491369394,0.0001628371344458,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-3.46,-0.9057591623036648,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V130E,V,130,E,A,PZA,10.402,-3.207,Destabilising,-0.292,Destabilising,-0.8286821705426356,-0.0739614994934143,V130,VA130,5.05456,-46.0,-56.0,0.0,-4.0,-52.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,0.0,-5.0,-2.0,0.0,2.0,-4.0,0.18409807763751193,Destabilising,-5.67,Destabilising,-0.9667519181585678,0,0.0,E,strand,1.6333333333333335,11.27,VAL,0.064,0.020512820512820513,5,5,-0.147,0.225,6:4,147/150,M:F:D:C:I:L:V,75,0.7894736842105263,85,effect,pnca_p.val130glu,0.0001437401178668,13.1456002256204,511754.46355254,0.924803768446994,139.277183326557,0.0943844491369309,0.0001628371344454,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.74,-0.4554973821989529,Destabilising,GLU,0,pnca_complex.pdb
|
||||
V131G,V,131,G,A,PZA,9.063,-3.182,Destabilising,-1.774,Destabilising,-0.8222222222222222,-0.4493414387031408,V131,VA131,5.35345,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,19.0,0.1949843020418272,Destabilising,-3.989,Destabilising,-0.6801364023870418,1,0.0057471264367816,E,strand,2.6666666666666665,10.36,VAL,0.204,0.06538461538461537,4,4,-0.038,0.389,5:4,147/150,D:M:S:A:G:T:C:V:L,54,0.5684210526315789,75,effect,pnca_p.val131gly,0.0001437401178668,13.145600225622,511754.463553338,0.924803768447044,139.277183326667,0.0943844491368676,0.0001628371344429,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-2.53,-0.662303664921466,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V131F,V,131,F,A,PZA,9.063,-1.59,Destabilising,-2.323,Destabilising,-0.4108527131782946,-0.5883991894630193,V131,VA131,1.54666,-44.0,-4.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-15.0,0.0,-7.0,-8.0,-6.0,0.0,-8.0,-8.0,0.0563327238689093,Destabilising,-1.786,Destabilising,-0.3045183290707587,1,0.0057471264367816,E,strand,2.6666666666666665,10.36,VAL,0.204,0.06538461538461537,4,4,-0.038,0.389,5:4,147/150,D:M:S:A:G:T:C:V:L,72,0.7578947368421053,85,effect,pnca_p.val131phe,0.0001437401178668,13.1456002256219,511754.463553315,0.924803768447041,139.277183326661,0.0943844491368713,0.000162837134443,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.52,-0.3979057591623037,Destabilising,PHE,0,pnca_complex.pdb
|
||||
G132D,G,132,D,A,PZA,6.912000000000001,-2.518,Destabilising,-0.8220000000000001,Destabilising,-0.6506459948320414,-0.2082066869300912,G132,GA132,18.6426,-22.0,-42.0,0.0,-2.0,-40.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-11.0,0.0,-9.0,-6.0,-4.0,0.0,-9.0,-23.0,0.6790040719993591,Destabilising,-3.507,Destabilising,-0.5979539641943734,0,0.0,E,strand,2.766666666666666,8.75,GLY,-1.191,-0.9810543657331138,9,9,-1.229,-1.178,9:9,147/150,G,92,0.968421052631579,95,effect,pnca_p.gly132asp,0.0004312203536006,14.1472939191334,1393450.94022859,0.915018435775164,132.576060676564,0.106710773022948,4.17896182038204,,58.3312262958281,1.7659011066874,inf,2.48532104922106e-05,4.60461750194108,5.71767556863798,inf,23.547488635408,1.21868387173808e-06,-1.46,-0.3821989528795811,Destabilising,ASP,0,pnca_complex.pdb
|
||||
G132A,G,132,A,A,PZA,6.912000000000001,-0.8290000000000001,Destabilising,-1.92,Destabilising,-0.2142118863049095,-0.486322188449848,G132,GA132,5.5504,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-6.0,-2.0,0.0,0.0,-7.0,-18.0,0.20215764974977965,Destabilising,-2.927,Destabilising,-0.4990622335890878,0,0.0,E,strand,2.766666666666666,8.75,GLY,-1.191,-0.9810543657331138,9,9,-1.229,-1.178,9:9,147/150,G,80,0.8421052631578947,91,effect,pnca_p.gly132ala,0.0005749604714675,2.6796663501904,14.5802277940117,0.0010245352377104,0.816050632122417,3.28370108999367,3.35697961122016,99.5538692591549,14.5802781289507,1.16376580853041,14.5801759034061,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,15.0663448164144,0.0001037975122989,-0.28,-0.0732984293193717,Destabilising,ALA,0,pnca_complex.pdb
|
||||
G132S,G,132,S,A,PZA,6.912000000000001,-2.061,Destabilising,-0.312,Destabilising,-0.5325581395348837,-0.0790273556231003,G132,GA132,10.5344,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-8.0,-4.0,0.0,0.0,-7.0,-19.0,0.38368577859687203,Destabilising,-3.165,Destabilising,-0.5396419437340153,0,0.0,E,strand,2.766666666666666,8.75,GLY,-1.191,-0.9810543657331138,9,9,-1.229,-1.178,9:9,147/150,G,85,0.8947368421052632,91,effect,pnca_p.gly132ser,0.0005749604714675,14.1481370895088,1394626.35224766,0.901927875940771,114.814237034556,0.123226330243789,82.9586021393604,,77.8405735976381,1.89120602753485,inf,7.2326389241213e-07,6.1407032156959,8.29603358299821,inf,33.1802749271012,8.399830460993881e-09,-1.17,-0.306282722513089,Destabilising,SER,0,pnca_complex.pdb
|
||||
I133T,I,133,T,A,PZA,3.05,-2.7880000000000003,Destabilising,0.703,Stabilising,-0.7204134366925065,0.3152466367713004,I133,IA133,1.57844,34.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.05749022064554666,Destabilising,-1.862,Destabilising,-0.3174765558397272,3,0.015228426395939,E,strand,1.9666666666666668,7.9,ILE,-0.739,-0.6087314662273476,8,8,-0.872,-0.674,8:7,147/150,V:L:I:M:F,68,0.7157894736842105,80,effect,pnca_p.ile133thr,0.0031622825930717,1.86205820059201,6.43697172567821,1.0518317723875602e-09,0.305188422646507,6.10133957390906,3.55222271070208,11.8555583489231,6.43697178374994,0.808681605417837,6.43569721125883,2.90039620895666e-09,8.53754267120101,3.39739251160169,12.3875045168727,46.3588997045238,9.845927533322829e-12,-2.56,-0.6701570680628273,Destabilising,THR,0,pnca_complex.pdb
|
||||
I133S,I,133,S,A,PZA,3.05,-3.219,Destabilising,0.578,Stabilising,-0.8317829457364341,0.2591928251121076,I133,IA133,3.30196,34.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,8.0,0.0,0.12026457069180281,Destabilising,-2.461,Destabilising,-0.41960784313725485,3,0.015228426395939,E,strand,1.9666666666666668,7.9,ILE,-0.739,-0.6087314662273476,8,8,-0.872,-0.674,8:7,147/150,V:L:I:M:F,70,0.7368421052631579,85,effect,pnca_p.ile133ser,7.18700589334483e-05,12.1451538387262,188179.926264589,0.919026337424226,119.468044436218,0.101660271548266,5.01153666064073e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-3.47,-0.9083769633507854,Destabilising,SER,0,pnca_complex.pdb
|
||||
A134V,A,134,V,A,PZA,3.047,-0.414,Destabilising,0.118,Stabilising,-0.1069767441860465,0.052914798206278,A134,AA134,-1.46184,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-6.0,-2.0,0.0,-2.0,-3.0,-0.2810582173344613,Stabilising,-1.64,Destabilising,-0.27962489343563507,10,0.0775193798449612,-,loop,1.8666666666666665,6.77,ALA,-1.111,-0.9151565074135091,9,9,-1.178,-1.094,9:9,147/150,V:T:S:A,74,0.7789473684210526,85,effect,pnca_p.ala134val,0.0003593502946672,2.96659528728018,19.4256680571767,0.0079500503166053,1.11770528264822,2.65418382943607,2.87215213651462,380.097158975588,19.4256842105263,1.28837632444196,19.4169790983636,0.0036816889015929,2.43395291165754,1.92061868691892,951.403114304703,9.87561363723508,0.0016748373055023,-0.88,-0.2303664921465968,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A134T,A,134,T,A,PZA,3.047,-1.925,Destabilising,0.875,Stabilising,-0.4974160206718346,0.3923766816143498,A134,AA134,-0.943073,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-4.0,-2.0,0.0,-2.0,-3.0,-0.1813183496116281,Stabilising,-1.723,Destabilising,-0.2937766410912191,10,0.0775193798449612,-,loop,1.8666666666666665,6.77,ALA,-1.111,-0.9151565074135091,9,9,-1.178,-1.094,9:9,147/150,V:T:S:A,61,0.6421052631578947,80,effect,,,,,,,,,,,,,,,,,,,-1.44,-0.3769633507853403,Destabilising,THR,0,pnca_complex.pdb
|
||||
A134G,A,134,G,A,PZA,3.047,-1.618,Destabilising,-0.3779999999999999,Destabilising,-0.4180878552971576,-0.0957446808510638,A134,AA134,-1.28536,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,14.0,-0.24712758594170578,Stabilising,-2.508,Destabilising,-0.42762148337595907,10,0.0775193798449612,-,loop,1.8666666666666665,6.77,ALA,-1.111,-0.9151565074135091,9,9,-1.178,-1.094,9:9,147/150,V:T:S:A,79,0.8315789473684211,85,effect,,,,,,,,,,,,,,,,,,,-1.88,-0.4921465968586387,Destabilising,GLY,0,pnca_complex.pdb
|
||||
A134P,A,134,P,A,PZA,3.047,-1.426,Destabilising,0.077,Stabilising,-0.3684754521963824,0.0345291479820627,A134,AA134,-5.2012,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,-1.0,-2.0,-2.0,0.0,0.0,-9.0,-1.0,Stabilising,-2.503,Destabilising,-0.426768968456948,10,0.0775193798449612,-,loop,1.8666666666666665,6.77,ALA,-1.111,-0.9151565074135091,9,9,-1.178,-1.094,9:9,147/150,V:T:S:A,88,0.9263157894736842,91,effect,pnca_p.ala134pro,7.18700589334483e-05,12.1451538387265,188179.92626465,0.919026337424237,119.468044436237,0.101660271548252,5.01153666062244e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.19,-0.0497382198952879,Destabilising,PRO,0,pnca_complex.pdb
|
||||
A134D,A,134,D,A,PZA,3.047,-2.98,Destabilising,0.5820000000000001,Stabilising,-0.7700258397932817,0.2609865470852018,A134,AA134,1.03055,-24.0,-34.0,0.0,0.0,-34.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,-4.0,0.0,-2.0,-3.0,0.03753487423422374,Destabilising,-3.856,Destabilising,-0.6574595055413469,10,0.0775193798449612,-,loop,1.8666666666666665,6.77,ALA,-1.111,-0.9151565074135091,9,9,-1.178,-1.094,9:9,147/150,V:T:S:A,85,0.8947368421052632,91,effect,pnca_p.ala134asp,7.18700589334483e-05,-8.98740878149643,0.0001249735077034,0.940032862253634,119.468044435494,-0.0752285585987736,,4692673.510814,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.13,-0.2958115183246073,Destabilising,ASP,0,pnca_complex.pdb
|
||||
T135I,T,135,I,A,PZA,6.021,0.442,Stabilising,-1.039,Destabilising,0.3758503401360544,-0.2631712259371834,T135,TA135,-0.624872,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,-2.0,4.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,0.0,2.0,0.0,2.0,-4.0,-0.12013996769976158,Stabilising,-0.279,Destabilising,-0.04757033248081842,3,0.0174418604651162,T,loop,-0.7999999999999999,5.97,THR,-0.612,-0.5041186161449753,7,7,-0.728,-0.553,8:7,147/150,G:S:M:A:T:L:R:E:Y:F:Q,86,0.9052631578947369,91,effect,pnca_p.thr135ile,7.18700589334483e-05,-8.9874087814964,0.0001249735077034,0.940032862253633,119.46804443549,-0.0752285585987755,,4692673.5108109,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.66,0.3707865168539326,Stabilising,ILE,0,pnca_complex.pdb
|
||||
T135P,T,135,P,A,PZA,6.021,-0.141,Destabilising,-1.103,Destabilising,-0.0364341085271317,-0.2793819655521783,T135,TA135,4.22994,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,2.0,-2.0,4.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,0.0,4.0,-2.0,0.15406362225832065,Destabilising,-2.513,Destabilising,-0.4284739982949701,3,0.0174418604651162,T,loop,-0.7999999999999999,5.97,THR,-0.612,-0.5041186161449753,7,7,-0.728,-0.553,8:7,147/150,G:S:M:A:T:L:R:E:Y:F:Q,93,0.9789473684210527,95,effect,pnca_p.thr135pro,0.0019404915912031,4.84770422501703,127.447463030391,1.95563371409724e-06,1.01886282652061,4.75795573146171,27.0895053611136,2275.86435679243,127.447513812155,2.10533136786968,127.547977311481,2.29679039420522e-19,18.638878636844,20.9103539725502,5063.91643152716,114.177692609973,1.1913921230384099e-26,0.5,0.2808988764044944,Stabilising,PRO,0,pnca_complex.pdb
|
||||
T135A,T,135,A,A,PZA,6.021,-0.347,Destabilising,-1.324,Destabilising,-0.0896640826873385,-0.3353596757852077,T135,TA135,0.939971,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,-2.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,2.0,6.0,0.0,6.0,3.0,0.03423578988774685,Destabilising,-1.151,Destabilising,-0.19624893435635124,3,0.0174418604651162,T,loop,-0.7999999999999999,5.97,THR,-0.612,-0.5041186161449753,7,7,-0.728,-0.553,8:7,147/150,G:S:M:A:T:L:R:E:Y:F:Q,72,0.7578947368421053,85,effect,,,,,,,,,,,,,,,,,,,-0.32,-0.0837696335078534,Destabilising,ALA,0,pnca_complex.pdb
|
||||
T135S,T,135,S,A,PZA,6.021,-1.605,Destabilising,-0.7090000000000001,Destabilising,-0.4147286821705426,-0.1795845997973657,T135,TA135,0.77889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,2.0,2.0,0.0,2.0,2.0,0.028368869237101087,Destabilising,-1.567,Destabilising,-0.2671781756180733,3,0.0174418604651162,T,loop,-0.7999999999999999,5.97,THR,-0.612,-0.5041186161449753,7,7,-0.728,-0.553,8:7,147/150,G:S:M:A:T:L:R:E:Y:F:Q,65,0.6842105263157895,80,effect,pnca_p.thr135ser,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253632,119.46804443549,-0.075228558598776,,4692673.51081184,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.71,-0.1858638743455497,Destabilising,SER,0,pnca_complex.pdb
|
||||
D136Y,D,136,Y,A,PZA,6.178999999999999,-0.96,Destabilising,-1.662,Destabilising,-0.2480620155038759,-0.4209726443768997,D136,DA136,6.12929,-32.0,25.0,0.0,0.0,25.0,0.0,0.0,0.0,0.0,6.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,-6.0,0.0,-4.0,-4.0,-2.0,0.0,2.0,-2.0,0.22324208363988665,Destabilising,-1.07,Destabilising,-0.1824381926683717,6,0.0310880829015544,T,loop,-2.466666666666667,5.37,ASP,-1.076,-0.8863261943986821,9,9,-1.152,-1.028,9:9,147/150,S:E:D,86,0.9052631578947369,91,effect,pnca_p.asp136tyr,0.0002156101768003,13.1460210125005,511969.848429002,0.907969111549614,113.719344731947,0.115600569485232,0.183926936277317,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-0.23,-0.0602094240837696,Destabilising,TYR,0,pnca_complex.pdb
|
||||
D136A,D,136,A,A,PZA,6.178999999999999,0.66,Stabilising,-2.506,Destabilising,0.5612244897959184,-0.6347517730496454,D136,DA136,1.50112,4.0,29.0,0.0,0.0,29.0,0.0,0.0,0.0,0.0,8.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,6.0,0.0,10.0,-3.0,0.05467405794039875,Destabilising,-0.993,Destabilising,-0.169309462915601,6,0.0310880829015544,T,loop,-2.466666666666667,5.37,ASP,-1.076,-0.8863261943986821,9,9,-1.152,-1.028,9:9,147/150,S:E:D,73,0.7684210526315789,85,effect,pnca_p.asp136ala,7.18700589334483e-05,12.1451538387252,188179.926264403,0.919026337424193,119.468044436159,0.101660271548308,5.01153666069587e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,1.78,1.0,Stabilising,ALA,0,pnca_complex.pdb
|
||||
D136N,D,136,N,A,PZA,6.178999999999999,0.216,Stabilising,-1.58,Destabilising,0.1836734693877551,-0.4002026342451875,D136,DA136,0.961088,0.0,29.0,0.0,0.0,29.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-5.0,0.0,3.0,-9.0,4.0,0.0,2.0,-4.0,0.03500491699385922,Destabilising,-1.377,Destabilising,-0.23478260869565218,6,0.0310880829015544,T,loop,-2.466666666666667,5.37,ASP,-1.076,-0.8863261943986821,9,9,-1.152,-1.028,9:9,147/150,S:E:D,79,0.8315789473684211,85,effect,pnca_p.asp136asn,0.0005030904125341,1.29193858531542,3.63983585304829,0.0908665432562708,0.764078977125449,1.69084430273928,0.716519099632433,16.5222710930887,3.63983585858586,0.561081799221107,3.63936365398778,0.101883776579733,0.99189496518722,0.532738756693438,21.52594647947,1.71237896478786,0.190677002690395,0.48,0.2696629213483146,Stabilising,ASN,0,pnca_complex.pdb
|
||||
D136G,D,136,G,A,PZA,6.178999999999999,0.314,Stabilising,-2.5780000000000003,Destabilising,0.2670068027210884,-0.6529888551165147,D136,DA136,2.04991,6.0,29.0,0.0,0.0,29.0,0.0,0.0,0.0,0.0,8.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,5.0,0.0,5.0,2.0,8.0,0.0,13.0,15.0,0.07466218431078316,Destabilising,-1.455,Destabilising,-0.24808184143222506,6,0.0310880829015544,T,loop,-2.466666666666667,5.37,ASP,-1.076,-0.8863261943986821,9,9,-1.152,-1.028,9:9,147/150,S:E:D,79,0.8315789473684211,85,effect,pnca_p.asp136gly,0.0008624407072013,1.24373033542254,3.46852813512699,0.0337889223820885,0.585951699076682,2.12258166907334,1.02578380758221,10.8758695145359,3.46852810205801,0.540145217509122,3.46809703626328,0.0400825565026472,1.39704458655237,0.867177455332643,12.7072994899286,3.5269411605584,0.0603790832350862,0.52,0.2921348314606741,Stabilising,GLY,0,pnca_complex.pdb
|
||||
H137N,H,137,N,A,PZA,3.419,0.1889999999999999,Stabilising,-0.124,Destabilising,0.1607142857142857,-0.0314083080040526,H137,HA137,0.40144,14.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,1.0,-1.0,4.0,0.0,2.0,2.0,0.014621318628486514,Destabilising,-0.475,Destabilising,-0.08098891730605284,84,0.375,T,loop,-1.4,4.6,HIS,-0.415,-0.3418451400329489,7,7,-0.615,-0.332,7:6,147/150,Q:H:F:E:Y:I:V:W,65,0.6842105263157895,80,effect,pnca_p.his137asn,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253634,119.468044435493,-0.075228558598774,,4692673.51081254,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,0.6,0.3370786516853932,Stabilising,ASN,0,pnca_complex.pdb
|
||||
H137R,H,137,R,A,PZA,3.419,-0.272,Destabilising,0.466,Stabilising,-0.0702842377260982,0.2089686098654708,H137,HA137,0.4886649999999999,-52.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,-1.0,-2.0,0.0,-2.0,-4.0,0.017798242994194302,Destabilising,-0.317,Destabilising,-0.054049445865302644,84,0.375,T,loop,-1.4,4.6,HIS,-0.415,-0.3418451400329489,7,7,-0.615,-0.332,7:6,147/150,Q:H:F:E:Y:I:V:W,76,0.8,85,effect,pnca_p.his137arg,0.0002874802357337,1.57937329521209,4.85191414039981,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091312819,40.4562911075324,4.85191417753471,0.685913110299906,4.85118443551178,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,1.17497090855698,0.278382201819561,0.21,0.1179775280898876,Stabilising,ARG,0,pnca_complex.pdb
|
||||
H137Y,H,137,Y,A,PZA,3.419,0.8590000000000001,Stabilising,-0.005,Destabilising,0.7304421768707484,-0.0012664640324214,H137,HA137,0.344473,-42.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,1.0,-4.0,-2.0,0.0,-2.0,0.0,0.012546456486425453,Destabilising,-0.394,Destabilising,-0.06717817561807332,84,0.375,T,loop,-1.4,4.6,HIS,-0.415,-0.3418451400329489,7,7,-0.615,-0.332,7:6,147/150,Q:H:F:E:Y:I:V:W,-7,-0.07526881720430108,53,neutral,pnca_p.his137tyr,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253633,119.468044435491,-0.0752285585987755,,4692673.51081285,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,1.72,0.9662921348314606,Stabilising,TYR,0,pnca_complex.pdb
|
||||
H137P,H,137,P,A,PZA,3.419,0.366,Stabilising,-0.765,Destabilising,0.3112244897959184,-0.1937689969604863,H137,HA137,2.19045,34.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,-2.0,-4.0,2.0,0.0,-4.0,0.0,0.07978095702911588,Destabilising,-0.882,Destabilising,-0.15038363171355498,84,0.375,T,loop,-1.4,4.6,HIS,-0.415,-0.3418451400329489,7,7,-0.615,-0.332,7:6,147/150,Q:H:F:E:Y:I:V:W,86,0.9052631578947369,91,effect,,,,,,,,,,,,,,,,,,,1.03,0.5786516853932584,Stabilising,PRO,0,pnca_complex.pdb
|
||||
C138R,C,138,R,A,PZA,3.282,0.099,Stabilising,0.35,Stabilising,0.0841836734693877,0.1569506726457399,C138,CA138,-2.11829,-86.0,-32.0,0.0,0.0,-32.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-6.0,-14.0,0.0,-6.0,-12.0,-0.40726947627470583,Stabilising,-2.383,Destabilising,-0.406308610400682,12,0.0718562874251497,H,helix,1.1666666666666667,6.7,CYS,-1.148,-0.9456342668863261,9,9,-1.221,-1.124,9:9,147/150,C:S,91,0.9578947368421052,95,effect,pnca_p.cys138arg,0.0008624407072013,15.1498290544778,3797407.11818115,0.921917088417709,154.559892765108,0.0980191483278375,60.4370486597206,,116.958174904943,2.06803058263964,inf,6.09960824712391e-10,9.21469805705084,13.5248372165465,inf,52.5277145499225,4.2421933164431297e-13,0.53,0.297752808988764,Stabilising,ARG,0,pnca_complex.pdb
|
||||
C138Y,C,138,Y,A,PZA,3.282,-0.518,Destabilising,0.914,Stabilising,-0.1338501291989664,0.4098654708520179,C138,CA138,-0.565013,-72.0,-40.0,0.0,0.0,-40.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,-12.0,0.0,-2.0,-14.0,-0.10863127739752365,Stabilising,-1.271,Destabilising,-0.2167092924126172,12,0.0718562874251497,H,helix,1.1666666666666667,6.7,CYS,-1.148,-0.9456342668863261,9,9,-1.221,-1.124,9:9,147/150,C:S,90,0.9473684210526315,95,effect,,,,,,,,,,,,,,,,,,,-0.44,-0.1151832460732984,Destabilising,TYR,0,pnca_complex.pdb
|
||||
C138G,C,138,G,A,PZA,3.282,-0.015,Destabilising,-0.012,Destabilising,-0.003875968992248,-0.0030395136778115,C138,CA138,1.12063,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,6.0,0.0,9.0,19.0,0.040815783914509865,Destabilising,-2.578,Destabilising,-0.4395566922421142,12,0.0718562874251497,H,helix,1.1666666666666667,6.7,CYS,-1.148,-0.9456342668863261,9,9,-1.221,-1.124,9:9,147/150,C:S,90,0.9473684210526315,95,effect,,,,,,,,,,,,,,,,,,,1.06,0.5955056179775281,Stabilising,GLY,0,pnca_complex.pdb
|
||||
C138S,C,138,S,A,PZA,3.282,-0.002,Destabilising,0.8140000000000001,Stabilising,-0.000516795865633,0.3650224215246637,C138,CA138,-0.229289,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,2.0,0.0,0.0,2.0,-0.04408386526186264,Stabilising,-1.639,Destabilising,-0.2794543904518329,12,0.0718562874251497,H,helix,1.1666666666666667,6.7,CYS,-1.148,-0.9456342668863261,9,9,-1.221,-1.124,9:9,147/150,C:S,87,0.9157894736842105,91,effect,,,,,,,,,,,,,,,,,,,1.02,0.5730337078651685,Stabilising,SER,0,pnca_complex.pdb
|
||||
C138W,C,138,W,A,PZA,3.282,-1.048,Destabilising,0.943,Stabilising,-0.2708010335917312,0.4228699551569506,C138,CA138,-1.71951,-72.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-3.0,-12.0,0.0,-2.0,-16.0,-0.33059870799046376,Stabilising,-1.165,Destabilising,-0.19863597612958225,12,0.0718562874251497,H,helix,1.1666666666666667,6.7,CYS,-1.148,-0.9456342668863261,9,9,-1.221,-1.124,9:9,147/150,C:S,91,0.9578947368421052,95,effect,,,,,,,,,,,,,,,,,,,-0.99,-0.2591623036649215,Destabilising,TRP,0,pnca_complex.pdb
|
||||
V139L,V,139,L,A,PZA,5.113,-0.462,Destabilising,-0.504,Destabilising,-0.1193798449612403,-0.1276595744680851,V139,VA139,-1.24107,-28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-1.0,-3.0,-2.0,0.0,0.0,0.0,-0.23861224332846265,Stabilising,-0.518,Destabilising,-0.08832054560954816,0,0.0,H,helix,0.7333333333333334,9.18,VAL,-1.171,-0.9645799011532126,9,9,-1.221,-1.152,9:9,147/150,I:V:A,79,0.8315789473684211,85,effect,pnca_p.val139leu,0.0007905706482679,3.08639980550335,21.8980984766686,7.90481988040462e-05,0.781907928411257,3.9472675661117,5.63934469685405,143.700732785851,21.8981012658228,1.34040645979333,21.8894347089025,4.86279858821822e-06,5.31311371806022,4.52710002121826,207.736204499878,28.1227645329198,1.13858693465794e-07,-0.59,-0.1544502617801047,Destabilising,LEU,0,pnca_complex.pdb
|
||||
V139G,V,139,G,A,PZA,5.113,-2.377,Destabilising,-0.4,Destabilising,-0.6142118863049095,-0.1013171225937183,V139,VA139,4.03008,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,6.0,0.0,17.0,25.0,0.14678428601606947,Destabilising,-4.222,Destabilising,-0.7198635976129583,0,0.0,H,helix,0.7333333333333334,9.18,VAL,-1.171,-0.9645799011532126,9,9,-1.221,-1.152,9:9,147/150,I:V:A,84,0.8842105263157894,91,effect,pnca_p.val139gly,0.000646830530401,3.66142892829214,38.9169126367817,0.0005578275078108,1.06087424525349,3.45133171502081,7.13685172053903,722.165073758294,38.9169126950654,1.59013838008863,38.9145296299157,5.5228318480997e-06,5.25783817940065,5.21074959149254,1710.75565736304,27.8738145664613,1.29490403629991e-07,-2.37,-0.6204188481675393,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V139A,V,139,A,A,PZA,5.113,-1.598,Destabilising,-0.537,Destabilising,-0.4129198966408269,-0.1360182370820668,V139,VA139,2.24246,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,2.0,0.0,4.0,7.0,0.08167527444110169,Destabilising,-2.438,Destabilising,-0.41568627450980394,0,0.0,H,helix,0.7333333333333334,9.18,VAL,-1.171,-0.9645799011532126,9,9,-1.221,-1.152,9:9,147/150,I:V:A,52,0.5473684210526316,75,effect,pnca_p.val139ala,0.0018686215322696,1.58305747959306,4.86982245520442,5.59300498642966e-05,0.392881092301541,4.02935521869819,2.23340951898872,10.6183850984524,4.8698224852071,0.687513130598596,4.86909461472896,0.0001170700255588,3.93155428682984,2.07661167855124,11.4195822840533,17.6365403604529,2.67400952353788e-05,-1.84,-0.4816753926701571,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V139M,V,139,M,A,PZA,5.113,-0.944,Destabilising,-1.067,Destabilising,-0.2439276485788113,-0.2702634245187436,V139,VA139,-0.8750100000000001,-44.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-1.0,-5.0,-2.0,0.0,0.0,0.0,-0.16823233100053836,Stabilising,-1.235,Destabilising,-0.21057118499573743,0,0.0,H,helix,0.7333333333333334,9.18,VAL,-1.171,-0.9645799011532126,9,9,-1.221,-1.152,9:9,147/150,I:V:A,69,0.7263157894736842,80,effect,pnca_p.val139met,0.000646830530401,3.66142892829214,38.9169126367816,0.0005578275078108,1.06087424525349,3.4513317150208,7.13685172054607,722.165073756559,38.9169126950654,1.59013838008863,38.9145296299157,5.5228318480997e-06,5.25783817940065,5.21074959149254,1710.75565736304,27.8738145664613,1.29490403629991e-07,-1.0,-0.2617801047120419,Destabilising,MET,0,pnca_complex.pdb
|
||||
R140P,R,140,P,A,PZA,7.347,-0.818,Destabilising,-1.466,Destabilising,-0.2113695090439276,-0.3713272543059777,R140,RA140,6.542009999999999,66.0,36.0,0.0,0.0,36.0,0.0,0.0,0.0,0.0,6.0,2.0,2.0,4.0,0.0,0.0,0.0,0.0,-3.0,2.0,-8.0,-1.0,6.0,0.0,6.0,-2.0,0.23827424442194362,Destabilising,-1.939,Destabilising,-0.33060528559249786,58,0.2116788321167883,H,helix,-1.2666666666666666,5.39,ARG,-0.185,-0.15238879736408567,6,6,-0.411,-0.038,7:5,147/150,G:A:T:N:L:V:K:R:E:Y:H:F:Q,86,0.9052631578947369,91,effect,pnca_p.arg140pro,0.0002156101768003,13.1460210125008,511969.848429156,0.90796911154963,113.719344731969,0.115600569485212,0.183926936276834,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-0.18,-0.0471204188481675,Destabilising,PRO,0,pnca_complex.pdb
|
||||
R140S,R,140,S,A,PZA,7.347,-1.705,Destabilising,-1.646,Destabilising,-0.4405684754521964,-0.4169199594731509,R140,RA140,4.37186,64.0,36.0,0.0,0.0,36.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,-3.0,2.0,6.0,0.0,6.0,6.0,0.15923265758054764,Destabilising,-0.933,Destabilising,-0.15907928388746803,58,0.2116788321167883,H,helix,-1.2666666666666666,5.39,ARG,-0.185,-0.15238879736408567,6,6,-0.411,-0.038,7:5,147/150,G:A:T:N:L:V:K:R:E:Y:H:F:Q,53,0.5578947368421052,75,effect,pnca_p.arg140ser,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987745,,4692673.51081424,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.49,-0.3900523560209424,Destabilising,SER,0,pnca_complex.pdb
|
||||
R140G,R,140,G,A,PZA,7.347,-1.398,Destabilising,-1.735,Destabilising,-0.3612403100775194,-0.4394630192502533,R140,RA140,5.02413,70.0,36.0,0.0,0.0,36.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,6.0,0.0,15.0,17.0,0.1829897507994668,Destabilising,-1.666,Destabilising,-0.2840579710144927,58,0.2116788321167883,H,helix,-1.2666666666666666,5.39,ARG,-0.185,-0.15238879736408567,6,6,-0.411,-0.038,7:5,147/150,G:A:T:N:L:V:K:R:E:Y:H:F:Q,71,0.7473684210526316,85,effect,,,,,,,,,,,,,,,,,,,-1.21,-0.3167539267015707,Destabilising,GLY,0,pnca_complex.pdb
|
||||
R140H,R,140,H,A,PZA,7.347,-1.041,Destabilising,-1.013,Destabilising,-0.2689922480620155,-0.2565856129685916,R140,RA140,2.29767,38.0,6.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-4.0,0.0,-4.0,-4.0,-2.0,0.0,-2.0,4.0,0.08368614281863941,Destabilising,-1.276,Destabilising,-0.2175618073316283,58,0.2116788321167883,H,helix,-1.2666666666666666,5.39,ARG,-0.185,-0.15238879736408567,6,6,-0.411,-0.038,7:5,147/150,G:A:T:N:L:V:K:R:E:Y:H:F:Q,53,0.5578947368421052,75,effect,,,,,,,,,,,,,,,,,,,-1.42,-0.3717277486910995,Destabilising,HIS,0,pnca_complex.pdb
|
||||
Q141P,Q,141,P,A,PZA,8.107999999999999,0.901,Stabilising,-1.656,Destabilising,0.766156462585034,-0.4194528875379939,Q141,QA141,5.02461,30.0,-31.0,0.0,0.0,-31.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,3.0,4.0,-1.0,-2.0,-8.0,0.0,-10.0,-6.0,0.18300723344429956,Destabilising,-1.835,Destabilising,-0.3128729752770673,41,0.1822222222222222,H,helix,-2.9,5.08,GLN,-0.137,-0.11285008237232291,6,6,-0.332,-0.038,6:5,147/150,N:C:R:F:H:E:Y:Q:W:D:A:S,79,0.8315789473684211,85,effect,pnca_p.gln141pro,0.0019404915912031,3.33727355927796,28.1422937171073,7.45865029764653e-10,0.542113710503027,6.15603976549737,10.8149160259451,96.0464157669383,28.1422962648557,1.44935953071313,28.1176868093208,1.80101596312758e-14,13.744482437837,9.60105095933572,112.1508500808,83.7298318312042,5.67227891121513e-20,1.14,0.6404494382022471,Stabilising,PRO,0,pnca_complex.pdb
|
||||
Q141R,Q,141,R,A,PZA,8.107999999999999,0.765,Stabilising,-1.581,Destabilising,0.6505102040816327,-0.4004559270516717,Q141,QA141,1.88305,-58.0,-30.0,0.0,0.0,-30.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-5.0,0.0,0.0,0.0,0.0,0.06858477990078599,Destabilising,-0.131,Destabilising,-0.02233589087809037,41,0.1822222222222222,H,helix,-2.9,5.08,GLN,-0.137,-0.11285008237232291,6,6,-0.332,-0.038,6:5,147/150,N:C:R:F:H:E:Y:Q:W:D:A:S,36,0.37894736842105264,66,effect,pnca_p.gln141arg,0.0001437401178668,-9.98752126245058,4.59700131334267e-05,0.942832958100734,139.277183325398,-0.0717096729269461,,144471.706314847,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,0.13,0.0730337078651685,Stabilising,ARG,0,pnca_complex.pdb
|
||||
T142K,T,142,K,A,PZA,8.097999999999999,-0.83,Destabilising,-1.238,Destabilising,-0.214470284237726,-0.3135764944275582,T142,TA142,3.49705,-82.0,-48.0,0.0,-2.0,-46.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,-2.0,-6.0,0.0,-4.0,-6.0,0.1273701731510282,Destabilising,-5.128,Destabilising,-0.8743393009377664,0,0.0,H,helix,-0.7999999999999999,8.33,THR,-0.892,-0.7347611202635914,8,8,-0.993,-0.827,9:8,147/150,S:E:T,91,0.9578947368421052,95,effect,pnca_p.thr142lys,0.0002156101768003,13.1460210125009,511969.848429232,0.907969111549634,113.719344731975,0.115600569485207,0.183926936276726,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-0.82,-0.2146596858638743,Destabilising,LYS,0,pnca_complex.pdb
|
||||
T142A,T,142,A,A,PZA,8.097999999999999,-0.5720000000000001,Destabilising,-1.983,Destabilising,-0.1478036175710594,-0.5022796352583587,T142,TA142,2.85915,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,6.0,0.0,2.0,9.0,0.10413646661179059,Destabilising,-2.289,Destabilising,-0.3902813299232737,0,0.0,H,helix,-0.7999999999999999,8.33,THR,-0.892,-0.7347611202635914,8,8,-0.993,-0.827,9:8,147/150,S:E:T,80,0.8421052631578947,91,effect,pnca_p.thr142ala,0.0005749604714675,2.6796663501904,14.5802277940117,0.0010245352377103,0.816050632122411,3.28370108999369,3.35697961122189,99.5538692592404,14.5802781289507,1.16376580853041,14.5801759034061,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,15.0663448164144,0.0001037975122989,-0.73,-0.1910994764397905,Destabilising,ALA,0,pnca_complex.pdb
|
||||
T142R,T,142,R,A,PZA,8.097999999999999,-0.733,Destabilising,-1.267,Destabilising,-0.1894056847545219,-0.3209219858156029,T142,TA142,5.15889,-106.0,-34.0,0.0,0.0,-34.0,0.0,0.0,0.0,0.0,-2.0,0.0,4.0,-4.0,0.0,0.0,0.0,0.0,-9.0,0.0,0.0,-9.0,-10.0,0.0,-14.0,-4.0,0.1878980033362714,Destabilising,-4.739,Destabilising,-0.8080136402387041,0,0.0,H,helix,-0.7999999999999999,8.33,THR,-0.892,-0.7347611202635914,8,8,-0.993,-0.827,9:8,147/150,S:E:T,91,0.9578947368421052,95,effect,,,,,,,,,,,,,,,,,,,-0.89,-0.2329842931937173,Destabilising,ARG,0,pnca_complex.pdb
|
||||
T142P,T,142,P,A,PZA,8.097999999999999,-0.706,Destabilising,-1.638,Destabilising,-0.1824289405684754,-0.4148936170212766,T142,TA142,6.72536,4.0,-25.0,0.0,0.0,-25.0,0.0,0.0,0.0,0.0,4.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,4.0,4.0,0.0,-2.0,6.0,0.0,-2.0,4.0,0.24495225052630046,Destabilising,-4.677,Destabilising,-0.7974424552429666,0,0.0,H,helix,-0.7999999999999999,8.33,THR,-0.892,-0.7347611202635914,8,8,-0.993,-0.827,9:8,147/150,S:E:T,92,0.968421052631579,95,effect,pnca_p.thr142pro,0.0001437401178668,13.1456002256242,511754.463554492,0.924803768447115,139.277183326822,0.0943844491367787,0.0001628371344392,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.54,-0.1413612565445026,Destabilising,PRO,0,pnca_complex.pdb
|
||||
T142M,T,142,M,A,PZA,8.097999999999999,0.175,Stabilising,-1.836,Destabilising,0.1488095238095238,-0.4650455927051671,T142,TA142,-0.8869389999999999,-56.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-4.0,0.0,0.0,0.0,0.0,-0.1705258401907252,Stabilising,-1.977,Destabilising,-0.3370843989769821,0,0.0,H,helix,-0.7999999999999999,8.33,THR,-0.892,-0.7347611202635914,8,8,-0.993,-0.827,9:8,147/150,S:E:T,85,0.8947368421052632,91,effect,pnca_p.thr142met,0.0002156101768003,2.27260607808817,9.70465898653051,0.0634455902260899,1.22442760158496,1.8560559033024,0.929172866365547,208.881603004778,9.70466975178797,0.986980761010679,9.70194990589383,0.0776844925942494,1.10966566656461,0.504888890842109,570.372842410328,2.29168245016684,0.130068862702538,-0.23,-0.0602094240837696,Destabilising,MET,0,pnca_complex.pdb
|
||||
A143V,A,143,V,A,PZA,10.807,-0.622,Destabilising,-1.168,Destabilising,-0.1607235142118863,-0.2958459979736575,A143,AA143,0.113853,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-12.0,0.0,-6.0,-6.0,-2.0,0.0,-2.0,-7.0,0.004146774087806584,Destabilising,-1.998,Destabilising,-0.34066496163682863,0,0.0,H,helix,-0.8000000000000002,8.82,ALA,-0.834,-0.6869851729818781,8,8,-0.955,-0.779,9:8,147/150,I:C:V:S:A:T,-16,-0.17204301075268819,57,neutral,pnca_p.ala143val,0.0003593502946672,-10.9877909019996,1.69068633684891e-05,0.939691219428539,145.229797681912,-0.0756579646696575,,60.3389082676124,0.484657419083649,-0.314565134742567,0.0,0.596111875058711,0.224672226566594,0.0,5.29224350433385,0.177777263899814,0.673290424524484,-0.56,-0.1465968586387434,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A143D,A,143,D,A,PZA,10.807,-3.46,Destabilising,0.346,Stabilising,-0.8940568475452196,0.1551569506726457,A143,AA143,5.46827,-14.0,-46.0,0.0,-2.0,-44.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-1.0,-8.0,-6.0,0.0,-4.0,-3.0,0.19916629637453653,Destabilising,-5.865,Destabilising,-1.0,0,0.0,H,helix,-0.8000000000000002,8.82,ALA,-0.834,-0.6869851729818781,8,8,-0.955,-0.779,9:8,147/150,I:C:V:S:A:T,84,0.8842105263157894,91,effect,pnca_p.ala143asp,0.0001437401178668,1.57903938912402,4.85029432717734,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673654,122.683760399096,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-1.17,-0.306282722513089,Destabilising,ASP,0,pnca_complex.pdb
|
||||
A143G,A,143,G,A,PZA,10.807,-2.08,Destabilising,-0.868,Destabilising,-0.537467700258398,-0.2198581560283688,A143,AA143,2.31533,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,18.0,0.08432935845977899,Destabilising,-3.708,Destabilising,-0.6322250639386189,0,0.0,H,helix,-0.8000000000000002,8.82,ALA,-0.834,-0.6869851729818781,8,8,-0.955,-0.779,9:8,147/150,I:C:V:S:A:T,72,0.7578947368421053,85,effect,pnca_p.ala143gly,0.0003593502946672,14.1468726004037,1392863.97690657,0.922400595820385,145.229797685252,0.0974102617085742,0.390278156381537,,48.5888795282224,1.68653688423854,inf,0.0001456121755417,3.83680230943558,4.44801917882778,inf,18.7541888696359,1.4869638142509e-05,-2.04,-0.5340314136125655,Destabilising,GLY,0,pnca_complex.pdb
|
||||
A143T,A,143,T,A,PZA,10.807,-2.359,Destabilising,0.07,Stabilising,-0.6095607235142119,0.0313901345291479,A143,AA143,0.4067679999999999,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-10.0,0.0,-4.0,-8.0,-6.0,0.0,-6.0,-5.0,0.014815375986130431,Destabilising,-2.811,Destabilising,-0.4792838874680307,0,0.0,H,helix,-0.8000000000000002,8.82,ALA,-0.834,-0.6869851729818781,8,8,-0.955,-0.779,9:8,147/150,I:C:V:S:A:T,47,0.49473684210526314,71,effect,pnca_p.ala143thr,0.0001437401178668,1.57903938912401,4.85029432717732,0.264247566376724,1.41439286276584,1.11640791656443,0.191756076673653,122.683760399095,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-1.46,-0.3821989528795811,Destabilising,THR,0,pnca_complex.pdb
|
||||
A143P,A,143,P,A,PZA,10.807,-1.416,Destabilising,-0.732,Destabilising,-0.365891472868217,-0.1854103343465045,A143,AA143,2.35082,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,-2.0,0.0,0.0,0.0,0.0,0.0,3.0,4.0,1.0,-2.0,-2.0,0.0,-2.0,-5.0,0.0856219815121031,Destabilising,-3.997,Destabilising,-0.6815004262574594,0,0.0,H,helix,-0.8000000000000002,8.82,ALA,-0.834,-0.6869851729818781,8,8,-0.955,-0.779,9:8,147/150,I:C:V:S:A:T,85,0.8947368421052632,91,effect,,,,,,,,,,,,,,,,,,,-0.21,-0.0549738219895288,Destabilising,PRO,0,pnca_complex.pdb
|
||||
D145E,D,145,E,A,PZA,11.649,-0.148,Destabilising,-1.031,Destabilising,-0.0382428940568475,-0.261144883485309,D145,DA145,-0.4769,-10.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,4.0,0.0,0.0,0.0,0.0,-3.0,0.0,-2.0,-1.0,0.0,0.0,2.0,-2.0,-0.09169037914327463,Stabilising,-0.323,Destabilising,-0.05507246376811594,33,0.1709844559585492,H,helix,-1.7333333333333334,4.71,ASP,-1.092,-0.899505766062603,9,9,-1.152,-1.062,9:9,147/150,S:E:A:D:K,70,0.7368421052631579,85,effect,pnca_p.asp145glu,7.18700589334483e-05,12.145153838726,188179.926264557,0.919026337424219,119.468044436206,0.101660271548274,5.01153666065157e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.78,-0.2041884816753927,Destabilising,GLU,0,pnca_complex.pdb
|
||||
D145Y,D,145,Y,A,PZA,11.649,-0.409,Destabilising,-1.689,Destabilising,-0.1056847545219638,-0.4278115501519757,D145,DA145,-0.814413,-38.0,28.0,0.0,0.0,28.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,6.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,-2.0,-2.0,0.0,-2.0,-2.0,-0.15658175036530034,Stabilising,-0.858,Destabilising,-0.1462915601023018,33,0.1709844559585492,H,helix,-1.7333333333333334,4.71,ASP,-1.092,-0.899505766062603,9,9,-1.152,-1.062,9:9,147/150,S:E:A:D:K,82,0.8631578947368421,91,effect,pnca_p.asp145tyr,7.18700589334483e-05,12.1451538387265,188179.926264644,0.919026337424236,119.468044436235,0.101660271548254,5.01153666062444e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.05,-0.274869109947644,Destabilising,TYR,0,pnca_complex.pdb
|
||||
A146V,A,146,V,A,PZA,14.858,-0.425,Destabilising,-1.712,Destabilising,-0.1098191214470284,-0.4336372847011145,A146,AA146,0.463909,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-3.0,-8.0,-4.0,0.0,-2.0,-5.0,0.01689657558694338,Destabilising,-2.215,Destabilising,-0.3776641091219096,0,0.0,H,helix,0.8333333333333334,7.08,ALA,-0.895,-0.7372322899505767,8,8,-0.993,-0.827,9:8,147/150,G:S:A,63,0.6631578947368421,80,effect,pnca_p.ala146val,0.0010061808250682,4.14904442894259,63.3734135554618,6.28168511875833e-05,1.03675010392783,4.0019715582603,12.6188969963258,1151.617862186,63.3736263736264,1.8019085590898,63.3515540724066,1.2241629245587202e-09,8.91216077783748,9.50473092944164,2653.71554384332,51.5211006732107,7.08317026236427e-13,-0.75,-0.1963350785340314,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A146E,A,146,E,A,PZA,14.858,-2.184,Destabilising,0.284,Stabilising,-0.5643410852713179,0.1273542600896861,A146,AA146,3.30206,-36.0,-46.0,0.0,-2.0,-44.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-2.0,-7.0,-10.0,0.0,-8.0,-9.0,0.12026821290947633,Destabilising,-5.327,Destabilising,-0.9082693947144075,0,0.0,H,helix,0.8333333333333334,7.08,ALA,-0.895,-0.7372322899505767,8,8,-0.993,-0.827,9:8,147/150,G:S:A,75,0.7894736842105263,85,effect,pnca_p.ala146glu,0.0001437401178668,13.1456002256226,511754.463553649,0.924803768447062,139.277183326707,0.0943844491368447,0.0001628371344419,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.93,-0.243455497382199,Destabilising,GLU,0,pnca_complex.pdb
|
||||
A146T,A,146,T,A,PZA,14.858,-2.074,Destabilising,-0.252,Destabilising,-0.5359173126614987,-0.0638297872340425,A146,AA146,1.48094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-4.0,-6.0,0.0,-2.0,-7.0,0.05393905841388705,Destabilising,-2.71,Destabilising,-0.4620630861040068,0,0.0,H,helix,0.8333333333333334,7.08,ALA,-0.895,-0.7372322899505767,8,8,-0.993,-0.827,9:8,147/150,G:S:A,53,0.5578947368421052,75,effect,pnca_p.ala146thr,0.0007187005893344,1.9863491292074,7.28887438834092,0.0021008470164788,0.645842738542518,3.07559257179235,2.08051219809968,28.5295272509804,7.28887484197219,0.862660492976905,7.28728068125885,0.0027830995390782,2.55547126060833,1.72659076531017,35.1741774538487,10.1421736186998,0.0014491518456837,-1.44,-0.3769633507853403,Destabilising,THR,0,pnca_complex.pdb
|
||||
A146P,A,146,P,A,PZA,14.858,-1.233,Destabilising,-1.497,Destabilising,-0.3186046511627906,-0.3791793313069908,A146,AA146,3.10964,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,-2.0,0.0,0.0,0.0,0.0,0.0,-1.0,4.0,-5.0,-4.0,-4.0,0.0,-2.0,-5.0,0.11325985766213333,Destabilising,-3.961,Destabilising,-0.6753623188405796,0,0.0,H,helix,0.8333333333333334,7.08,ALA,-0.895,-0.7372322899505767,8,8,-0.993,-0.827,9:8,147/150,G:S:A,79,0.8315789473684211,85,effect,pnca_p.ala146pro,7.18700589334483e-05,12.1451538387267,188179.926264681,0.919026337424242,119.468044436246,0.101660271548246,5.01153666061373e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,0.02,0.0112359550561797,Stabilising,PRO,0,pnca_complex.pdb
|
||||
R148C,R,148,C,A,PZA,14.673,-0.2769999999999999,Destabilising,-0.94,Destabilising,-0.0715762273901808,-0.238095238095238,R148,RA148,1.80299,38.0,22.0,0.0,0.0,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,-7.0,3.0,6.0,0.0,6.0,4.0,0.06566882043138426,Destabilising,-0.806,Destabilising,-0.13742540494458652,156,0.5693430656934306,H,helix,-1.2666666666666666,3.5,ARG,1.306,0.4185897435897436,1,1,0.842,1.712,2:1,146/150,I:R:K:N:L:Q:E:H:W:D:M:S:A:G:T,39,0.4105263157894737,66,effect,,,,,,,,,,,,,,,,,,,0.84,0.4719101123595505,Stabilising,CYS,0,pnca_complex.pdb
|
||||
N149V,N,149,V,A,PZA,16.469,-0.064,Destabilising,-0.706,Destabilising,-0.0165374677002583,-0.1788247213779128,N149,NA149,0.446809,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,0.0,0.0,0.0,0.0,-2.0,0.016273756364775384,Destabilising,-0.317,Destabilising,-0.054049445865302644,71,0.3641025641025641,T,loop,-2.8000000000000003,3.68,ASN,0.97,0.3108974358974359,1,1,0.59,1.183,3:1,146/150,Q:E:Y:H:F:C:R:K:L:N:G:M:S:A:D,-28,-0.3010752688172043,61,neutral,pnca_p.asn149val,7.18700589334483e-05,12.1451538387265,188179.926264649,0.919026337424236,119.468044436237,0.101660271548253,5.01153666062283e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.26,-0.0680628272251308,Destabilising,VAL,0,pnca_complex.pdb
|
||||
N149S,N,149,S,A,PZA,16.469,-0.42,Destabilising,-0.233,Destabilising,-0.1085271317829457,-0.0590172239108409,N149,NA149,0.889156,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03238499697695933,Destabilising,-0.206,Destabilising,-0.03512361466325661,71,0.3641025641025641,T,loop,-2.8000000000000003,3.68,ASN,0.97,0.3108974358974359,1,1,0.59,1.183,3:1,146/150,Q:E:Y:H:F:C:R:K:L:N:G:M:S:A:D,-76,-0.8172043010752689,87,neutral,,,,,,,,,,,,,,,,,,,0.47,0.2640449438202247,Stabilising,SER,0,pnca_complex.pdb
|
||||
N149D,N,149,D,A,PZA,16.469,0.469,Stabilising,-0.043,Destabilising,0.3988095238095238,-0.0108915906788247,N149,NA149,1.84951,0.0,-5.0,0.0,0.0,-5.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.06736318009309508,Destabilising,-0.656,Destabilising,-0.11184995737425404,71,0.3641025641025641,T,loop,-2.8000000000000003,3.68,ASN,0.97,0.3108974358974359,1,1,0.59,1.183,3:1,146/150,Q:E:Y:H:F:C:R:K:L:N:G:M:S:A:D,-34,-0.3655913978494624,66,neutral,,,,,,,,,,,,,,,,,,,0.16,0.0898876404494382,Stabilising,ASP,0,pnca_complex.pdb
|
||||
G150D,G,150,D,A,PZA,21.16,-0.785,Destabilising,1.269,Stabilising,-0.2028423772609819,0.5690582959641256,G150,GA150,3.5588800000000003,-12.0,-18.0,0.0,-2.0,-16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,0.0,-2.0,0.0,-3.0,-9.0,0.12962215633855143,Destabilising,-0.949,Destabilising,-0.1618073316283035,63,0.6057692307692307,T,loop,-0.0333333333333334,3.34,GLY,-0.715,-0.5889621087314663,8,8,-0.872,-0.615,8:7,146/150,G:E:H:Q:L:D:R,51,0.5368421052631579,75,effect,pnca_p.gly150asp,7.18700589334483e-05,12.1451538387254,188179.926264446,0.9190263374242,119.468044436172,0.101660271548298,5.01153666068333e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.34,-0.0890052356020942,Destabilising,ASP,0,pnca_complex.pdb
|
||||
L151S,L,151,S,A,PZA,18.507,-2.523,Destabilising,0.079,Stabilising,-0.6519379844961241,0.0354260089686098,L151,LA151,3.86505,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,0.0,10.0,0.0,4.0,8.0,0.1407735341894973,Destabilising,-2.175,Destabilising,-0.3708439897698209,10,0.0497512437810945,-,loop,1.7333333333333332,5.31,LEU,-0.04,-0.032948929159802305,5,5,-0.244,0.083,6:5,145/150,Q:F:Y:I:R:L:V:M:W,57,0.6,75,effect,pnca_p.leu151ser,0.0010061808250682,2.16984855308098,8.7569577260426,0.0001010560982854,0.558082575591327,3.888042106998,3.02252426488638,28.523060095548,8.75696202531646,0.942353466387901,8.75484033225151,0.0001077244819236,3.96768558587492,2.63211458386555,33.2911283333248,18.8086142562631,1.44512946670157e-05,-2.07,-0.5418848167539266,Destabilising,SER,0,pnca_complex.pdb
|
||||
L151W,L,151,W,A,PZA,18.507,-1.831,Destabilising,-0.7140000000000001,Destabilising,-0.4731266149870801,-0.1808510638297872,L151,LA151,2.01402,-22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-11.0,0.0,-3.0,-10.0,-10.0,0.0,-16.0,-2.0,0.07335499238776506,Destabilising,-0.33,Destabilising,-0.05626598465473146,10,0.0497512437810945,-,loop,1.7333333333333332,5.31,LEU,-0.04,-0.032948929159802305,5,5,-0.244,0.083,6:5,145/150,Q:F:Y:I:R:L:V:M:W,20,0.21052631578947367,63,effect,pnca_p.leu151trp,7.18700589334483e-05,12.1451538387255,188179.926264453,0.919026337424201,119.468044436174,0.101660271548297,5.01153666068148e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.26,-0.5916230366492147,Destabilising,TRP,0,pnca_complex.pdb
|
||||
L151V,L,151,V,A,PZA,18.507,-1.74,Destabilising,-1.269,Destabilising,-0.4496124031007751,-0.3214285714285714,L151,LA151,1.09305,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-4.0,-2.0,0.0,-2.0,2.0,0.03981126028015938,Destabilising,-1.108,Destabilising,-0.18891730605285592,10,0.0497512437810945,-,loop,1.7333333333333332,5.31,LEU,-0.04,-0.032948929159802305,5,5,-0.244,0.083,6:5,145/150,Q:F:Y:I:R:L:V:M:W,31,0.3263157894736842,66,effect,,,,,,,,,,,,,,,,,,,-1.93,-0.5052356020942408,Destabilising,VAL,0,pnca_complex.pdb
|
||||
T153I,T,153,I,A,PZA,15.544,0.532,Stabilising,-2.111,Destabilising,0.4523809523809524,-0.5347011144883485,T153,TA153,-0.698929,-20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-11.0,0.0,-5.0,-8.0,-2.0,0.0,-4.0,-2.0,-0.1343784126739983,Stabilising,-1.456,Destabilising,-0.24825234441602725,12,0.0697674418604651,E,strand,-1.1333333333333335,5.38,THR,-0.188,-0.15485996705107086,6,6,-0.411,-0.038,7:5,144/150,V:C:A:S:T,43,0.45263157894736844,71,effect,,,,,,,,,,,,,,,,,,,-0.46,-0.1204188481675392,Destabilising,ILE,0,pnca_complex.pdb
|
||||
T153P,T,153,P,A,PZA,15.544,-0.926,Destabilising,-2.212,Destabilising,-0.2392764857881136,-0.5602836879432623,T153,TA153,3.60938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-6.0,-2.0,6.0,0.0,8.0,0.0,0.13146147626366742,Destabilising,-4.405,Destabilising,-0.7510656436487638,12,0.0697674418604651,E,strand,-1.1333333333333335,5.38,THR,-0.188,-0.15485996705107086,6,6,-0.411,-0.038,7:5,144/150,V:C:A:S:T,70,0.7368421052631579,85,effect,pnca_p.thr153pro,7.18700589334483e-05,12.1451538387264,188179.926264634,0.919026337424234,119.468044436232,0.101660271548256,5.0115366606273e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.6,-0.1570680628272251,Destabilising,PRO,0,pnca_complex.pdb
|
||||
R154G,R,154,G,A,PZA,15.259,-1.337,Destabilising,-2.707,Destabilising,-0.3454780361757106,-0.6856636271529888,R154,RA154,4.31639,66.0,28.0,0.0,4.0,24.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,1.0,10.0,0.0,11.0,21.0,0.15721231943705885,Destabilising,-1.992,Destabilising,-0.33964194373401535,60,0.218978102189781,E,strand,-0.3333333333333333,5.21,ARG,1.542,0.49423076923076925,1,1,0.842,1.712,2:1,144/150,T:W:E:F:Q:V:N:L:R:I:C:S:A:D:Y:H,73,0.7684210526315789,85,effect,pnca_p.arg154gly,0.0011499209429351,3.530334177178,34.1353729715529,2.90603701922833e-06,0.754772029037902,4.6773516258652,9.53076902254824,217.507266299408,34.1357293868922,1.53320918696851,34.1417078158954,1.5011843627935802e-09,8.82356596809844,7.82937374234326,309.275011521707,51.1500808664409,8.55671558873616e-13,-1.71,-0.4476439790575916,Destabilising,GLY,0,pnca_complex.pdb
|
||||
R154W,R,154,W,A,PZA,15.259,-0.436,Destabilising,-1.381,Destabilising,-0.1126614987080103,-0.3497973657548126,R154,RA154,2.7463,10.0,28.0,0.0,4.0,24.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-4.0,0.0,-3.0,-1.0,10.0,0.0,4.0,6.0,0.10002622396724918,Destabilising,-0.368,Destabilising,-0.06274509803921569,60,0.218978102189781,E,strand,-0.3333333333333333,5.21,ARG,1.542,0.49423076923076925,1,1,0.842,1.712,2:1,144/150,T:W:E:F:Q:V:N:L:R:I:C:S:A:D:Y:H,56,0.5894736842105263,75,effect,,,,,,,,,,,,,,,,,,,-0.6,-0.1570680628272251,Destabilising,TRP,0,pnca_complex.pdb
|
||||
R154S,R,154,S,A,PZA,15.259,-2.044,Destabilising,-2.614,Destabilising,-0.5281653746770025,-0.6621073961499493,R154,RA154,2.37151,60.0,28.0,0.0,4.0,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,10.0,0.0,4.0,6.0,0.08637555634874962,Destabilising,-1.076,Destabilising,-0.183461210571185,60,0.218978102189781,E,strand,-0.3333333333333333,5.21,ARG,1.542,0.49423076923076925,1,1,0.842,1.712,2:1,144/150,T:W:E:F:Q:V:N:L:R:I:C:S:A:D:Y:H,55,0.5789473684210527,75,effect,,,,,,,,,,,,,,,,,,,-1.74,-0.4554973821989529,Destabilising,SER,0,pnca_complex.pdb
|
||||
V155L,V,155,L,A,PZA,12.302,-1.141,Destabilising,-2.349,Destabilising,-0.2948320413436692,-0.594984802431611,V155,VA155,-0.756754,-34.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-2.0,-4.0,-8.0,0.0,-8.0,-2.0,-0.14549603937552874,Stabilising,-1.463,Destabilising,-0.2494458653026428,0,0.0,E,strand,1.1666666666666667,7.97,VAL,-0.482,-0.3970345963756178,7,7,-0.615,-0.411,7:7,144/150,F:Y:I:L:V,-14,-0.15053763440860216,57,neutral,pnca_p.val155leu,7.18700589334483e-05,12.1451538387262,188179.926264586,0.919026337424224,119.468044436215,0.101660271548268,5.01153666064309e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.05,-0.274869109947644,Destabilising,LEU,0,pnca_complex.pdb
|
||||
V155A,V,155,A,A,PZA,12.302,-3.049,Destabilising,-1.886,Destabilising,-0.7878552971576227,-0.4777102330293819,V155,VA155,3.6527,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,3.0,0.13303928495982634,Destabilising,-2.972,Destabilising,-0.5067348678601875,0,0.0,E,strand,1.1666666666666667,7.97,VAL,-0.482,-0.3970345963756178,7,7,-0.615,-0.411,7:7,144/150,F:Y:I:L:V,54,0.5684210526315789,75,effect,pnca_p.val155ala,7.18700589334483e-05,12.1451538387262,188179.926264589,0.919026337424226,119.468044436217,0.101660271548266,5.0115366606409e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.61,-0.6832460732984293,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V155M,V,155,M,A,PZA,12.302,-1.505,Destabilising,-2.486,Destabilising,-0.3888888888888888,-0.6296859169199595,V155,VA155,-0.575554,-48.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,0.0,-8.0,-4.0,0.0,-4.0,0.0,-0.11065792509420903,Stabilising,-2.196,Destabilising,-0.37442455242966755,0,0.0,E,strand,1.1666666666666667,7.97,VAL,-0.482,-0.3970345963756178,7,7,-0.615,-0.411,7:7,144/150,F:Y:I:L:V,51,0.5368421052631579,75,effect,pnca_p.val155met,0.0004312203536006,14.1472939191273,1393450.94022009,0.915018435774946,132.576060676167,0.106710773023222,4.1789618205157,,58.3312262958281,1.7659011066874,inf,2.48532104922106e-05,4.60461750194108,5.71767556863798,inf,23.547488635408,1.21868387173808e-06,-1.23,-0.3219895287958115,Destabilising,MET,0,pnca_complex.pdb
|
||||
V155G,V,155,G,A,PZA,12.302,-3.675,Destabilising,-1.655,Destabilising,-0.9496124031007752,-0.4191995947315096,V155,VA155,5.87683,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,3.0,25.0,0.21404694090137602,Destabilising,-4.368,Destabilising,-0.7447570332480818,0,0.0,E,strand,1.1666666666666667,7.97,VAL,-0.482,-0.3970345963756178,7,7,-0.615,-0.411,7:7,144/150,F:Y:I:L:V,72,0.7578947368421053,85,effect,pnca_p.val155gly,0.0004312203536006,3.19016080361873,24.2923334241601,0.0035954281300594,1.09565968954934,2.91163472932996,3.91551977432402,465.531063220228,24.2923336141533,1.38546923679232,24.2833096922897,0.0007494070007895,3.12528225414311,2.71567844828345,1141.60089496884,14.1977442691074,0.0001645676755807,-3.48,-0.9109947643979058,Destabilising,GLY,0,pnca_complex.pdb
|
||||
L156P,L,156,P,A,PZA,13.994000000000002,-2.813,Destabilising,-1.81,Destabilising,-0.7268733850129199,-0.4584599797365755,L156,LA156,2.74955,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,2.0,0.0,0.0,-2.0,-2.0,0.10014459604163783,Destabilising,-3.96,Destabilising,-0.6751918158567775,0,0.0,E,strand,4.066666666666666,6.53,LEU,0.122,0.0391025641025641,5,5,-0.147,0.225,6:4,144/150,L:V:N:R:I:K:F:H:P,63,0.6631578947368421,80,effect,pnca_p.leu156pro,0.0001437401178668,13.1456002256219,511754.463553313,0.924803768447042,139.277183326662,0.0943844491368703,0.000162837134443,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.74,-0.4554973821989529,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L156Q,L,156,Q,A,PZA,13.994000000000002,-2.863,Destabilising,-0.36,Destabilising,-0.7397932816537467,-0.0911854103343465,L156,LA156,2.4113900000000004,-14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,3.0,0.0,-2.0,5.0,0.0,0.0,0.0,0.0,0.08782807275694025,Destabilising,-4.191,Destabilising,-0.7145780051150895,0,0.0,E,strand,4.066666666666666,6.53,LEU,0.122,0.0391025641025641,5,5,-0.147,0.225,6:4,144/150,L:V:N:R:I:K:F:H:P,41,0.43157894736842106,71,effect,pnca_p.leu156gln,7.18700589334483e-05,12.1451538387267,188179.92626469,0.919026337424244,119.46804443625,0.101660271548243,5.01153666061033e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.69,-0.7041884816753927,Destabilising,GLN,0,pnca_complex.pdb
|
||||
V157G,V,157,G,A,PZA,13.632,-1.896,Destabilising,-0.926,Destabilising,-0.489922480620155,-0.2345491388044579,V157,VA157,1.97999,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,2.0,0.0,3.0,17.0,0.07211554571347402,Destabilising,-1.919,Destabilising,-0.32719522591645356,45,0.2586206896551724,E,strand,1.5,4.12,VAL,0.579,0.18557692307692306,3,3,0.225,0.842,4:2,144/150,Q:F:E:I:R:L:V:T:W:K:P:S:M:G:A:D,-7,-0.07526881720430108,53,neutral,pnca_p.val157gly,7.18700589334483e-05,12.1451538387252,188179.926264401,0.919026337424192,119.468044436158,0.101660271548309,5.01153666069661e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-2.35,-0.6151832460732984,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V157L,V,157,L,A,PZA,13.632,-0.484,Destabilising,-0.972,Destabilising,-0.1250645994832041,-0.2462006079027355,V157,VA157,-2.04339,-18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,-2.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-4.0,-4.0,0.0,-2.0,-2.0,-0.392868953318465,Stabilising,1.184,Stabilising,1.0,45,0.2586206896551724,E,strand,1.5,4.12,VAL,0.579,0.18557692307692306,3,3,0.225,0.842,4:2,144/150,Q:F:E:I:R:L:V:T:W:K:P:S:M:G:A:D,-43,-0.46236559139784944,72,neutral,,,,,,,,,,,,,,,,,,,-0.57,-0.1492146596858638,Destabilising,LEU,0,pnca_complex.pdb
|
||||
V157A,V,157,A,A,PZA,13.632,-1.625,Destabilising,-0.931,Destabilising,-0.4198966408268734,-0.2358156028368794,V157,VA157,0.858959,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,2.0,0.0,0.0,5.0,0.03128515650609343,Destabilising,-1.03,Destabilising,-0.17561807331628304,45,0.2586206896551724,E,strand,1.5,4.12,VAL,0.579,0.18557692307692306,3,3,0.225,0.842,4:2,144/150,Q:F:E:I:R:L:V:T:W:K:P:S:M:G:A:D,-36,-0.3870967741935484,66,neutral,pnca_p.val157ala,7.18700589334483e-05,12.1451538387253,188179.926264427,0.919026337424197,119.468044436166,0.101660271548303,5.01153666068889e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-1.74,-0.4554973821989529,Destabilising,ALA,0,pnca_complex.pdb
|
||||
L159P,L,159,P,A,PZA,11.435,-1.412,Destabilising,-1.7519999999999998,Destabilising,-0.3648578811369509,-0.4437689969604863,L159,LA159,6.08412,24.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,4.0,-4.0,0.0,-4.0,0.0,-2.0,-2.0,0.22159689391676807,Destabilising,-4.496,Destabilising,-0.7665814151747656,6,0.0298507462686567,E,strand,-0.1333333333333334,5.42,LEU,-0.599,-0.49341021416803954,7,7,-0.728,-0.485,8:7,141/150,G:A:M:H:F:Y:L:V,92,0.968421052631579,95,effect,,,,,,,,,,,,,,,,,,,-0.94,-0.2460732984293193,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L159R,L,159,R,A,PZA,11.435,-0.753,Destabilising,-1.154,Destabilising,-0.1945736434108527,-0.2922998986828774,L159,LA159,0.0571381999999999,-56.0,-26.0,0.0,-2.0,-24.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,0.0,0.0,-3.0,0.0,0.0,-5.0,-4.0,0.0,-4.0,0.0,0.0020810976187180816,Destabilising,-4.133,Destabilising,-0.7046888320545609,6,0.0298507462686567,E,strand,-0.1333333333333334,5.42,LEU,-0.599,-0.49341021416803954,7,7,-0.728,-0.485,8:7,141/150,G:A:M:H:F:Y:L:V,89,0.9368421052631579,91,effect,pnca_p.leu159arg,0.0005030904125341,14.1477154154513,1394038.39846606,0.908235680147999,122.741582019401,0.115264242017143,22.9578143501753,,68.0817875210792,1.83303094984313,inf,4.24048522418865e-06,5.37258444573496,7.00237574052121,inf,28.35828361563,1.00814491180914e-07,-0.41,-0.1073298429319371,Destabilising,ARG,0,pnca_complex.pdb
|
||||
L159V,L,159,V,A,PZA,11.435,-1.126,Destabilising,-1.82,Destabilising,-0.2909560723514211,-0.4609929078014184,L159,LA159,2.84083,22.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-8.0,0.0,-2.0,-6.0,10.0,0.0,-2.0,8.0,0.10346921233400592,Destabilising,-2.332,Destabilising,-0.39761295822676895,6,0.0298507462686567,E,strand,-0.1333333333333334,5.42,LEU,-0.599,-0.49341021416803954,7,7,-0.728,-0.485,8:7,141/150,G:A:M:H:F:Y:L:V,60,0.631578947368421,80,effect,pnca_p.leu159val,0.0001437401178668,1.57903938912402,4.85029432717735,0.264247566376723,1.41439286276584,1.11640791656443,0.191756076673846,122.683760399179,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-1.09,-0.2853403141361257,Destabilising,VAL,0,pnca_complex.pdb
|
||||
T160P,T,160,P,A,PZA,9.847,-0.79,Destabilising,-2.375,Destabilising,-0.2041343669250646,-0.6015704154002026,T160,TA160,3.37194,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,-4.0,2.0,-6.0,0.0,0.0,0.0,0.0,-4.0,0.12281339461971605,Destabilising,-3.753,Destabilising,-0.6398976982097186,22,0.127906976744186,E,strand,1.633333333333333,4.98,THR,-0.228,-0.18780889621087316,6,6,-0.411,-0.147,7:6,141/150,V:C:I:M:S:T,91,0.9578947368421052,95,effect,pnca_p.thr160pro,0.0002156101768003,13.1460210124992,511969.848428359,0.907969111549571,113.719344731883,0.115600569485286,0.183926936278634,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-0.23,-0.0602094240837696,Destabilising,PRO,0,pnca_complex.pdb
|
||||
T160R,T,160,R,A,PZA,9.847,-0.456,Destabilising,-2.007,Destabilising,-0.117829457364341,-0.5083586626139817,T160,TA160,2.8141,-80.0,-36.0,0.0,-2.0,-34.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-2.0,-3.0,-8.0,0.0,-2.0,-4.0,0.10249564754988016,Destabilising,-2.869,Destabilising,-0.48917306052855924,22,0.127906976744186,E,strand,1.633333333333333,4.98,THR,-0.228,-0.18780889621087316,6,6,-0.411,-0.147,7:6,141/150,V:C:I:M:S:T,83,0.8736842105263158,91,effect,pnca_p.thr160arg,0.0001437401178668,13.14560022562,511754.463552351,0.924803768446983,139.277183326532,0.0943844491369454,0.000162837134446,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.29,-0.0759162303664921,Destabilising,ARG,0,pnca_complex.pdb
|
||||
T160A,T,160,A,A,PZA,9.847,-0.8420000000000001,Destabilising,-2.509,Destabilising,-0.2175710594315245,-0.6355116514690983,T160,TA160,2.1045,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,3.0,0.07665047093874518,Destabilising,-1.519,Destabilising,-0.2589940323955669,22,0.127906976744186,E,strand,1.633333333333333,4.98,THR,-0.228,-0.18780889621087316,6,6,-0.411,-0.147,7:6,141/150,V:C:I:M:S:T,57,0.6,75,effect,pnca_p.thr160ala,0.0005749604714675,14.1481370895081,1394626.35224664,0.901927875940744,114.814237034519,0.123226330243822,82.9586021395589,,77.8405735976381,1.89120602753485,inf,7.2326389241213e-07,6.1407032156959,8.29603358299821,inf,33.1802749271012,8.399830460993881e-09,-0.73,-0.1910994764397905,Destabilising,ALA,0,pnca_complex.pdb
|
||||
A161V,A,161,V,A,PZA,7.033,0.043,Stabilising,-0.846,Destabilising,0.0365646258503401,-0.2142857142857142,A161,AA161,-2.66025,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-4.0,-2.0,0.0,-4.0,-3.0,-0.5114685072675537,Stabilising,0.125,Stabilising,0.10557432432432433,11,0.0852713178294573,E,strand,0.2333333333333333,4.53,ALA,-0.773,-0.6367380560131796,8,8,-0.872,-0.728,8:8,141/150,E:Q:V:I:R:K:S:A,21,0.22105263157894736,63,effect,,,,,,,,,,,,,,,,,,,-0.2,-0.0523560209424083,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A161G,A,161,G,A,PZA,7.033,-0.745,Destabilising,-0.925,Destabilising,-0.1925064599483204,-0.2342958459979736,A161,AA161,2.35053,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,10.0,0.08561141908084995,Destabilising,-1.432,Destabilising,-0.24416027280477406,11,0.0852713178294573,E,strand,0.2333333333333333,4.53,ALA,-0.773,-0.6367380560131796,8,8,-0.872,-0.728,8:8,141/150,E:Q:V:I:R:K:S:A,50,0.5263157894736842,75,effect,,,,,,,,,,,,,,,,,,,-1.02,-0.2670157068062827,Destabilising,GLY,0,pnca_complex.pdb
|
||||
G162S,G,162,S,A,PZA,8.315,-0.866,Destabilising,0.821,Stabilising,-0.2237726098191214,0.3681614349775785,G162,GA162,0.905309,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,-2.0,-4.0,0.0,0.0,-3.0,-13.0,0.03297332439775931,Destabilising,-1.14,Destabilising,-0.19437340153452684,26,0.25,-,loop,1.8666666666666665,3.93,GLY,-0.02,-0.016474464579901153,5,5,-0.244,0.083,6:5,141/150,F:S:G:A:P,21,0.22105263157894736,63,effect,,,,,,,,,,,,,,,,,,,-0.55,-0.143979057591623,Destabilising,SER,0,pnca_complex.pdb
|
||||
G162V,G,162,V,A,PZA,8.315,-0.386,Destabilising,-0.162,Destabilising,-0.0997416020671834,-0.0410334346504559,G162,GA162,2.07181,-6.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,6.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,-10.0,0.0,-2.0,-8.0,4.0,0.0,3.0,-19.0,0.07545982998127901,Destabilising,-1.467,Destabilising,-0.2501278772378517,26,0.25,-,loop,1.8666666666666665,3.93,GLY,-0.02,-0.016474464579901153,5,5,-0.244,0.083,6:5,141/150,F:S:G:A:P,66,0.6947368421052632,80,effect,,,,,,,,,,,,,,,,,,,-1.39,-0.3638743455497382,Destabilising,VAL,0,pnca_complex.pdb
|
||||
G162A,G,162,A,A,PZA,8.315,-0.551,Destabilising,-0.1639999999999999,Destabilising,-0.1423772609819121,-0.0415400202634245,G162,GA162,0.560964,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-2.0,-2.0,0.0,0.0,-1.0,-12.0,0.02043152994995593,Destabilising,-1.074,Destabilising,-0.18312020460358056,26,0.25,-,loop,1.8666666666666665,3.93,GLY,-0.02,-0.016474464579901153,5,5,-0.244,0.083,6:5,141/150,F:S:G:A:P,10,0.10526315789473684,59,effect,,,,,,,,,,,,,,,,,,,-0.09,-0.0235602094240837,Destabilising,ALA,0,pnca_complex.pdb
|
||||
G162R,G,162,R,A,PZA,8.315,-0.44,Destabilising,-0.04,Destabilising,-0.1136950904392764,-0.0101317122593718,G162,GA162,3.4246300000000005,-68.0,-22.0,0.0,0.0,-22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-3.0,-5.0,-2.0,0.0,-5.0,-17.0,0.12473247911188166,Destabilising,-0.961,Destabilising,-0.16385336743393009,26,0.25,-,loop,1.8666666666666665,3.93,GLY,-0.02,-0.016474464579901153,5,5,-0.244,0.083,6:5,141/150,F:S:G:A:P,87,0.9157894736842105,91,effect,,,,,,,,,,,,,,,,,,,-0.15,-0.0392670157068062,Destabilising,ARG,0,pnca_complex.pdb
|
||||
G162D,G,162,D,A,PZA,8.315,-1.037,Destabilising,2.23,Stabilising,-0.2679586563307493,1.0,G162,GA162,3.4317800000000003,-20.0,-24.0,0.0,0.0,-24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-6.0,0.0,0.0,-4.0,-4.0,0.0,-5.0,-19.0,0.12499289767553669,Destabilising,-1.558,Destabilising,-0.2656436487638534,26,0.25,-,loop,1.8666666666666665,3.93,GLY,-0.02,-0.016474464579901153,5,5,-0.244,0.083,6:5,141/150,F:S:G:A:P,79,0.8315789473684211,85,effect,pnca_p.gly162asp,0.0002874802357337,14.146451459095,1392277.5078503,0.930573112990214,162.371849599053,0.0871237932808364,0.0113995443355929,,38.8547368421053,1.58944397188817,inf,0.0008528275207519,3.06913879340442,3.20302487654751,inf,13.9909822352959,0.0001836895199759,-0.94,-0.2460732984293193,Destabilising,ASP,0,pnca_complex.pdb
|
||||
V163A,V,163,A,A,PZA,6.662999999999999,-0.478,Destabilising,0.052,Stabilising,-0.1235142118863049,0.0233183856502242,V163,VA163,0.471406,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,1.0,0.01716963264592545,Destabilising,-0.834,Destabilising,-0.14219948849104858,87,0.5,S,loop,1.0,4.02,VAL,-1.017,-0.8377265238879735,9,9,-1.094,-0.993,9:9,141/150,V:L:I:M,65,0.6842105263157895,80,effect,pnca_p.val163ala,0.0002156101768003,-9.98760797391822,4.5966027178937e-05,0.930014323968985,113.719344729607,-0.087826816076596,,127.94873509896,0.807902480033628,-0.0926410587047397,0.0,1.0,0.0,0.0,11.7369754738005,0.000393645565148,0.984170607395186,-0.36,-0.094240837696335,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V163G,V,163,G,A,PZA,6.662999999999999,-0.815,Destabilising,0.031,Stabilising,-0.210594315245478,0.0139013452914798,V163,VA163,1.14986,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,-1.0,2.0,6.0,0.0,11.0,13.0,0.04188040414047305,Destabilising,-1.019,Destabilising,-0.17374254049445864,87,0.5,S,loop,1.0,4.02,VAL,-1.017,-0.8377265238879735,9,9,-1.094,-0.993,9:9,141/150,V:L:I:M,75,0.7894736842105263,85,effect,pnca_p.val163gly,0.0001437401178668,-9.98752126245061,4.59700131334254e-05,0.942832958100734,139.277183325398,-0.0717096729269461,,144471.706314857,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-0.88,-0.2303664921465968,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V163L,V,163,L,A,PZA,6.662999999999999,-0.098,Destabilising,0.072,Stabilising,-0.0253229974160206,0.032286995515695,V163,VA163,-0.813595,-20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,0.0,-4.0,-6.0,0.0,0.0,-4.0,-0.15642447896639236,Stabilising,-0.458,Destabilising,-0.07809036658141517,87,0.5,S,loop,1.0,4.02,VAL,-1.017,-0.8377265238879735,9,9,-1.094,-0.993,9:9,141/150,V:L:I:M,67,0.7052631578947368,80,effect,pnca_p.val163leu,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987741,,4692673.5108124,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.37,-0.0968586387434555,Destabilising,LEU,0,pnca_complex.pdb
|
||||
S164P,S,164,P,A,PZA,10.588,-0.304,Destabilising,-0.348,Destabilising,-0.0785529715762273,-0.0881458966565349,S164,SA164,4.82419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,-4.0,2.0,-2.0,-6.0,-2.0,0.0,0.0,-2.0,0.1757075007830768,Destabilising,-1.323,Destabilising,-0.22557544757033246,46,0.2967741935483871,-,loop,1.7333333333333334,3.92,SER,-0.033,-0.027182866556836906,5,5,-0.244,0.083,6:5,140/150,N:V:Q:H:F:E:D:T:G:A:S,-23,-0.24731182795698925,61,neutral,pnca_p.ser164pro,0.0004312203536006,14.1472939191292,1393450.9402227,0.915018435775013,132.576060676288,0.106710773023138,4.17896182047499,,58.3312262958281,1.7659011066874,inf,2.48532104922106e-05,4.60461750194108,5.71767556863798,inf,23.547488635408,1.21868387173808e-06,-0.03,-0.0078534031413612,Destabilising,PRO,0,pnca_complex.pdb
|
||||
T167I,T,167,I,A,PZA,10.663,0.627,Stabilising,-0.489,Destabilising,0.5331632653061225,-0.1238601823708206,T167,TA167,0.429573,-6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,1.0,-2.0,0.0,0.0,0.0,-2.0,0.015645983726571434,Destabilising,-0.058,Destabilising,-0.009889173060528559,57,0.3313953488372093,H,helix,-1.6333333333333335,4.06,THR,0.303,0.0971153846153846,4,4,-0.038,0.389,5:4,129/150,L:N:R:E:Q:D:G:A:S:T:P,19,0.2,59,effect,pnca_p.thr167ile,0.0001437401178668,1.57903938912402,4.85029432717736,0.264247566376722,1.41439286276584,1.11640791656443,0.191756076673841,122.683760399237,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-0.04,-0.0104712041884816,Destabilising,ILE,0,pnca_complex.pdb
|
||||
T168N,T,168,N,A,PZA,10.468,-0.505,Destabilising,-0.341,Destabilising,-0.1304909560723514,-0.0863728470111449,T168,TA168,0.148032,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,1.0,-2.0,-2.0,0.0,0.0,2.0,0.005391647666431136,Destabilising,-1.149,Destabilising,-0.1959079283887468,24,0.1395348837209302,H,helix,0.9333333333333332,4.77,THR,0.703,0.2253205128205128,2,2,0.389,0.842,4:2,124/150,L:N:V:C:R:Y:H:F:W:G:S:A:T:P,3,0.031578947368421054,53,effect,,,,,,,,,,,,,,,,,,,-0.45,-0.1178010471204188,Destabilising,ASN,0,pnca_complex.pdb
|
||||
T168I,T,168,I,A,PZA,10.468,0.963,Stabilising,-1.2009999999999998,Destabilising,0.8188775510204082,-0.3042046605876393,T168,TA168,-0.7812,-12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,-3.0,0.0,-3.0,-2.0,0.0,0.0,0.0,0.0,-0.1501961085903253,Stabilising,-0.018,Destabilising,-0.0030690537084398974,24,0.1395348837209302,H,helix,0.9333333333333332,4.77,THR,0.703,0.2253205128205128,2,2,0.389,0.842,4:2,124/150,L:N:V:C:R:Y:H:F:W:G:S:A:T:P,11,0.11578947368421053,59,effect,pnca_p.thr168ile,0.0002874802357337,-10.9877041754913,1.69083297052993e-05,0.946048325624975,162.371849597271,-0.0676700068561389,,2065.08997177458,0.605874316939891,-0.217617456890647,0.0,1.0,0.0,0.0,7.34660540805975,0.0596751347828363,0.807010141806273,0.69,0.3876404494382022,Stabilising,ILE,0,pnca_complex.pdb
|
||||
T168S,T,168,S,A,PZA,10.468,-0.382,Destabilising,-0.83,Destabilising,-0.0987080103359173,-0.2102330293819655,T168,TA168,0.4742399999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,2.0,0.0,2.0,4.0,0.017272853094792352,Destabilising,-0.28,Destabilising,-0.047740835464620636,24,0.1395348837209302,H,helix,0.9333333333333332,4.77,THR,0.703,0.2253205128205128,2,2,0.389,0.842,4:2,124/150,L:N:V:C:R:Y:H:F:W:G:S:A:T:P,-71,-0.7634408602150538,87,neutral,pnca_p.thr168ser,0.0002874802357337,0.480257130287145,1.61648999729673,0.677247786834332,1.1538493489906,0.416221693678882,0.0799389646162879,12.6318165284439,1.61648444070648,0.208571528713835,1.61641362774286,0.527693668101443,0.277618116975238,0.0307788891197694,20.1401594005,5.751485287704321e-25,0.999999999999395,0.09,0.0505617977528089,Stabilising,SER,0,pnca_complex.pdb
|
||||
T168P,T,168,P,A,PZA,10.468,0.151,Stabilising,-1.31,Destabilising,0.1284013605442177,-0.3318135764944275,T168,TA168,3.22365,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,-4.0,2.0,0.0,2.0,-2.0,0.1174123500316873,Destabilising,-1.21,Destabilising,-0.206308610400682,24,0.1395348837209302,H,helix,0.9333333333333332,4.77,THR,0.703,0.2253205128205128,2,2,0.389,0.842,4:2,124/150,L:N:V:C:R:Y:H:F:W:G:S:A:T:P,49,0.5157894736842106,71,effect,,,,,,,,,,,,,,,,,,,0.61,0.3426966292134831,Stabilising,PRO,0,pnca_complex.pdb
|
||||
A171T,A,171,T,A,PZA,10.476,-1.816,Destabilising,0.043,Stabilising,-0.4692506459948319,0.0192825112107623,A171,AA171,0.486585,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,0.0,0.0,0.0,-5.0,0.017722484866585567,Destabilising,-1.914,Destabilising,-0.32634271099744244,5,0.0387596899224806,H,helix,2.4666666666666663,5.33,ALA,-0.872,-0.7182866556836903,8,8,-0.993,-0.827,9:8,122/150,R:C:V:T:E:A,25,0.2631578947368421,63,effect,pnca_p.ala171thr,0.0003593502946672,-10.9877909019996,1.69068633684891e-05,0.93969121942854,145.229797681913,-0.075657964669657,,60.3389082676185,0.484657419083649,-0.314565134742567,0.0,0.596111875058711,0.224672226566594,0.0,5.29224350433385,0.177777263899814,0.673290424524484,-1.47,-0.3848167539267015,Destabilising,THR,0,pnca_complex.pdb
|
||||
A171V,A,171,V,A,PZA,10.476,-0.659,Destabilising,-1.298,Destabilising,-0.1702842377260982,-0.328774062816616,A171,AA171,0.499158,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-7.0,0.0,-5.0,-6.0,2.0,0.0,2.0,-1.0,0.018180420894674348,Destabilising,-1.528,Destabilising,-0.26052855924978685,5,0.0387596899224806,H,helix,2.4666666666666663,5.33,ALA,-0.872,-0.7182866556836903,8,8,-0.993,-0.827,9:8,122/150,R:C:V:T:E:A,38,0.4,66,effect,pnca_p.ala171val,0.0001437401178668,1.57903938912402,4.85029432717736,0.264247566376722,1.41439286276584,1.11640791656443,0.191756076673654,122.683760399096,4.85029436501262,0.685768096792206,4.84956447904112,0.312734154310187,0.504824686014995,0.061763864579114,379.558337204203,0.0881192621863332,0.766581879696361,-0.62,-0.1623036649214659,Destabilising,VAL,0,pnca_complex.pdb
|
||||
A171E,A,171,E,A,PZA,10.476,-2.6710000000000003,Destabilising,1.116,Stabilising,-0.6901808785529716,0.5004484304932735,A171,AA171,3.52921,-36.0,-26.0,0.0,0.0,-26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-3.0,-3.0,0.0,0.0,0.0,-5.0,0.12854151035482483,Destabilising,-3.951,Destabilising,-0.6736572890025575,5,0.0387596899224806,H,helix,2.4666666666666663,5.33,ALA,-0.872,-0.7182866556836903,8,8,-0.993,-0.827,9:8,122/150,R:C:V:T:E:A,75,0.7894736842105263,85,effect,pnca_p.ala171glu,0.0001437401178668,-9.98752126245058,4.59700131334266e-05,0.942832958100734,139.277183325398,-0.0717096729269461,,144471.706314849,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-0.69,-0.1806282722513089,Destabilising,GLU,0,pnca_complex.pdb
|
||||
A171P,A,171,P,A,PZA,10.476,-1.241,Destabilising,-1.239,Destabilising,-0.3206718346253229,-0.3138297872340426,A171,AA171,4.26761,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,4.0,-5.0,-4.0,4.0,0.0,2.0,1.0,0.155435645655927,Destabilising,-3.012,Destabilising,-0.5135549872122762,5,0.0387596899224806,H,helix,2.4666666666666663,5.33,ALA,-0.872,-0.7182866556836903,8,8,-0.993,-0.827,9:8,122/150,R:C:V:T:E:A,80,0.8421052631578947,91,effect,,,,,,,,,,,,,,,,,,,-0.05,-0.013089005235602,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L172P,L,172,P,A,PZA,13.187,-1.821,Destabilising,-1.3530000000000002,Destabilising,-0.4705426356589147,-0.3427051671732523,L172,LA172,4.7117,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,4.0,1.0,-1.0,2.0,0.0,-2.0,4.0,0.17161037012216,Destabilising,-2.793,Destabilising,-0.4762148337595908,51,0.2537313432835821,H,helix,0.6999999999999998,4.4,LEU,1.192,0.382051282051282,1,1,0.59,1.183,3:1,122/150,H:F:E:L:V:K:R:C:I:T:A:M:D:W,79,0.8315789473684211,85,effect,pnca_p.leu172pro,0.0007187005893344,3.77963380040362,43.7999992563294,0.000336884092116,1.0542469487651,3.58515033392406,8.22614212186537,807.950983717549,43.8,1.6414741105041,43.791882510185,1.04401171857701e-06,5.98129462653992,6.06119169154248,1899.94618136838,32.5514826715601,1.16076545932747e-08,-1.44,-0.3769633507853403,Destabilising,PRO,0,pnca_complex.pdb
|
||||
L172R,L,172,R,A,PZA,13.187,-0.848,Destabilising,-0.7040000000000001,Destabilising,-0.2191214470284237,-0.1783181357649443,L172,LA172,-0.385063,-32.0,-36.0,0.0,-2.0,-34.0,0.0,0.0,0.0,0.0,-2.0,0.0,0.0,-4.0,0.0,0.0,0.0,0.0,-8.0,0.0,-1.0,-6.0,-8.0,0.0,-8.0,0.0,-0.07403349227101438,Stabilising,-1.797,Destabilising,-0.3063938618925831,51,0.2537313432835821,H,helix,0.6999999999999998,4.4,LEU,1.192,0.382051282051282,1,1,0.59,1.183,3:1,122/150,H:F:E:L:V:K:R:C:I:T:A:M:D:W,33,0.3473684210526316,66,effect,pnca_p.leu172arg,0.0001437401178668,13.1456002256205,511754.463552565,0.924803768446996,139.277183326561,0.0943844491369283,0.0001628371344453,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-0.43,-0.112565445026178,Destabilising,ARG,0,pnca_complex.pdb
|
||||
E173G,E,173,G,A,PZA,15.936,-1.172,Destabilising,-0.78,Destabilising,-0.3028423772609819,-0.1975683890577507,E173,EA173,0.769667,6.0,18.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,1.0,0.0,0.0,3.0,13.0,0.028032947501074455,Destabilising,-0.869,Destabilising,-0.14816709292412616,114,0.5112107623318386,H,helix,-1.0666666666666669,3.82,GLU,1.516,0.4858974358974359,1,1,0.842,1.712,2:1,122/150,Q:E:F:H:K:R:L:V:S:M:G:A:T:D,-5,-0.053763440860215055,53,neutral,,,,,,,,,,,,,,,,,,,-1.04,-0.2722513089005235,Destabilising,GLY,0,pnca_complex.pdb
|
||||
E174D,E,174,D,A,PZA,14.835,-0.698,Destabilising,-0.016,Destabilising,-0.1803617571059431,-0.0040526849037487,E174,EA174,0.557649,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0203107904340795,Destabilising,-0.445,Destabilising,-0.07587382779198636,104,0.4663677130044843,H,helix,-1.7,3.93,GLU,-0.292,-0.24052718286655683,6,6,-0.485,-0.147,7:6,122/150,D:T:A:G:S:K:R:Q:E,-14,-0.15053763440860216,57,neutral,pnca_p.glu174asp,7.18700589334483e-05,12.1451538387268,188179.926264691,0.919026337424243,119.468044436249,0.101660271548244,5.01153666061119e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.43,-0.112565445026178,Destabilising,ASP,0,pnca_complex.pdb
|
||||
E174G,E,174,G,A,PZA,14.835,-0.868,Destabilising,-1.181,Destabilising,-0.2242894056847545,-0.2991388044579534,E174,EA174,0.8340420000000001,22.0,22.0,0.0,0.0,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,3.0,15.0,0.030377625128388177,Destabilising,-0.968,Destabilising,-0.1650468883205456,104,0.4663677130044843,H,helix,-1.7,3.93,GLU,-0.292,-0.24052718286655683,6,6,-0.485,-0.147,7:6,122/150,D:T:A:G:S:K:R:Q:E,54,0.5684210526315789,75,effect,pnca_p.glu174gly,0.0001437401178668,-9.98752126245053,4.59700131334288e-05,0.942832958100734,139.277183325396,-0.0717096729269466,,144471.706314838,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-0.01,-0.0026178010471204,Destabilising,GLY,0,pnca_complex.pdb
|
||||
E174K,E,174,K,A,PZA,14.835,0.204,Stabilising,-0.8190000000000001,Destabilising,0.173469387755102,-0.2074468085106383,E174,EA174,-0.813418,-6.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,0.0,0.0,0.0,-0.1563904483580712,Stabilising,-0.452,Destabilising,-0.07706734867860188,104,0.4663677130044843,H,helix,-1.7,3.93,GLU,-0.292,-0.24052718286655683,6,6,-0.485,-0.147,7:6,122/150,D:T:A:G:S:K:R:Q:E,26,0.2736842105263158,63,effect,,,,,,,,,,,,,,,,,,,-0.16,-0.0418848167539267,Destabilising,LYS,0,pnca_complex.pdb
|
||||
M175K,M,175,K,A,PZA,11.015999999999998,-1.311,Destabilising,-0.207,Destabilising,-0.3387596899224806,-0.0524316109422492,M175,MA175,2.59826,-16.0,-36.0,0.0,0.0,-36.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-4.0,-1.0,-2.0,0.0,2.0,-2.0,0.09463428492340416,Destabilising,-4.252,Destabilising,-0.7249786871270246,0,0.0,H,helix,-2.033333333333333,6.81,MET,-0.521,-0.4291598023064251,7,7,-0.674,-0.411,7:7,120/150,F:M:I:W:C:L:V,78,0.8210526315789474,85,effect,pnca_p.met175lys,7.18700589334483e-05,12.1451538387265,188179.926264637,0.919026337424235,119.468044436234,0.101660271548255,5.01153666062558e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.95,-0.2486910994764398,Destabilising,LYS,0,pnca_complex.pdb
|
||||
M175R,M,175,R,A,PZA,11.015999999999998,-1.175,Destabilising,-0.698,Destabilising,-0.3036175710594315,-0.1767983789260385,M175,MA175,2.37207,-36.0,-40.0,0.0,-2.0,-38.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-4.0,-5.0,-4.0,0.0,-6.0,0.0,0.0863959527677212,Destabilising,-3.407,Destabilising,-0.5809036658141518,0,0.0,H,helix,-2.033333333333333,6.81,MET,-0.521,-0.4291598023064251,7,7,-0.674,-0.411,7:7,120/150,F:M:I:W:C:L:V,74,0.7789473684210526,85,effect,pnca_p.met175arg,7.18700589334483e-05,12.1451538387266,188179.92626466,0.919026337424239,119.46804443624,0.10166027154825,5.01153666061918e-06,,9.70142977291842,0.986835744238421,inf,0.170978870202674,0.767057556984365,0.124324963210678,inf,0.763784339928386,0.382146811758261,-0.8,-0.2094240837696335,Destabilising,ARG,0,pnca_complex.pdb
|
||||
M175T,M,175,T,A,PZA,11.015999999999998,-2.131,Destabilising,0.1159999999999999,Stabilising,-0.5506459948320412,0.0520179372197309,M175,MA175,2.83612,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-4.0,0.0,10.0,0.0,10.0,8.0,0.10329766388158422,Destabilising,-3.057,Destabilising,-0.521227621483376,0,0.0,H,helix,-2.033333333333333,6.81,MET,-0.521,-0.4291598023064251,7,7,-0.674,-0.411,7:7,120/150,F:M:I:W:C:L:V,72,0.7578947368421053,85,effect,pnca_p.met175thr,0.0002156101768003,13.1460210124993,511969.848428383,0.907969111549572,113.719344731884,0.115600569485285,0.183926936278602,,29.1287878787879,1.4643224129316,inf,0.0049931328456149,2.3016268790981,2.00455510251839,inf,9.2872640727157,0.0023075254069185,-1.73,-0.4528795811518324,Destabilising,THR,0,pnca_complex.pdb
|
||||
M175I,M,175,I,A,PZA,11.015999999999998,-0.6759999999999999,Destabilising,-1.143,Destabilising,-0.1746770025839793,-0.2895136778115502,M175,MA175,1.6779700000000002,14.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,0.0,-1.0,-4.0,6.0,0.0,4.0,4.0,0.06111531989597827,Destabilising,-1.272,Destabilising,-0.21687979539641944,0,0.0,H,helix,-2.033333333333333,6.81,MET,-0.521,-0.4291598023064251,7,7,-0.674,-0.411,7:7,120/150,F:M:I:W:C:L:V,19,0.2,59,effect,pnca_p.met175ile,0.0002874802357337,0.480257130287143,1.61648999729673,0.677247786834333,1.1538493489906,0.416221693678881,0.0799389646162787,12.6318165284426,1.61648444070648,0.208571528713835,1.61641362774286,0.527693668101443,0.277618116975238,0.0307788891197694,20.1401594005,5.751485287704321e-25,0.999999999999395,-0.65,-0.1701570680628272,Destabilising,ILE,0,pnca_complex.pdb
|
||||
M175V,M,175,V,A,PZA,11.015999999999998,-1.251,Destabilising,-1.081,Destabilising,-0.3232558139534883,-0.2738095238095238,M175,MA175,2.7460000000000004,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,0.0,8.0,0.0,8.0,8.0,0.1000152973142287,Destabilising,-2.087,Destabilising,-0.35583972719522594,0,0.0,H,helix,-2.033333333333333,6.81,MET,-0.521,-0.4291598023064251,7,7,-0.674,-0.411,7:7,120/150,F:M:I:W:C:L:V,52,0.5473684210526316,75,effect,pnca_p.met175val,0.0007187005893344,2.42868773335338,11.3439859738742,0.0004314327258942,0.689954362035746,3.52007011911253,3.15129211999938,52.6672541515188,11.3440134907251,1.05476673431854,11.3408060961982,0.000313793551117,3.50335598599778,2.58674701617199,67.9086927550226,16.1999449415698,5.69957727561539e-05,-1.13,-0.2958115183246073,Destabilising,VAL,0,pnca_complex.pdb
|
||||
R176C,R,176,C,A,PZA,17.132,-0.417,Destabilising,-0.8809999999999999,Destabilising,-0.1077519379844961,-0.2231509625126646,R176,RA176,1.53676,32.0,22.0,0.0,0.0,22.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,3.0,2.0,0.0,2.0,4.0,0.05597214431923309,Destabilising,-0.701,Destabilising,-0.11952259164535378,188,0.6861313868613139,H,helix,-1.1,3.67,ARG,1.185,0.3798076923076923,1,1,0.59,1.183,3:1,116/150,S:M:A:G:T:D:E:Q:N:L:V:K:I:R,55,0.5789473684210527,75,effect,,,,,,,,,,,,,,,,,,,0.75,0.4213483146067415,Stabilising,CYS,0,pnca_complex.pdb
|
||||
T177P,T,177,P,A,PZA,19.207,-0.045,Destabilising,-0.36,Destabilising,-0.0116279069767441,-0.0911854103343465,T177,TA177,0.790967,0.0,13.0,0.0,-2.0,15.0,0.0,0.0,0.0,0.0,2.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,4.0,4.0,-1.0,0.0,-2.0,0.0,-4.0,-2.0,0.02880873986552932,Destabilising,-0.444,Destabilising,-0.07570332480818415,126,0.7325581395348837,H,helix,-1.1333333333333335,3.45,THR,1.87,0.5993589743589743,1,1,1.183,1.712,1:1,114/150,N:L:R:K:H:E:Q:D:T:S:M:G:A,21,0.22105263157894736,63,effect,pnca_p.thr177pro,0.0002874802357337,1.57937329521209,4.85191414039982,0.114342297004304,1.0002536454007,1.57897279602454,0.581889091312676,40.456291107532,4.85191417753471,0.685913110299906,4.85118443551178,0.137954936368295,0.860262754777729,0.351471331417763,67.0421060419706,1.17497090855698,0.278382201819561,-0.19,-0.0497382198952879,Destabilising,PRO,0,pnca_complex.pdb
|
||||
A178P,A,178,P,A,PZA,17.128,-0.485,Destabilising,-0.05,Destabilising,-0.1253229974160206,-0.0126646403242147,A178,AA178,2.01949,0.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,2.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,-6.0,2.0,-8.0,-2.0,0.0,0.0,-2.0,-5.0,0.07355422169450535,Destabilising,-1.803,Destabilising,-0.3074168797953964,32,0.2480620155038759,T,loop,0.1,3.71,ALA,-0.496,-0.4085667215815486,7,7,-0.674,-0.411,7:7,110/150,G:M:A:S:C:K:V:Q:H:E,60,0.631578947368421,80,effect,,,,,,,,,,,,,,,,,,,-0.09,-0.0235602094240837,Destabilising,PRO,0,pnca_complex.pdb
|
||||
S179I,S,179,I,A,PZA,19.449,0.381,Stabilising,-0.451,Destabilising,0.3239795918367347,-0.1142350557244174,S179,SA179,1.25588,-8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.045741883317914615,Destabilising,0.395,Stabilising,0.3336148648648649,87,0.5612903225806452,T,loop,1.7333333333333334,3.5,SER,-0.876,-0.7215815485996705,8,8,-1.028,-0.779,9:8,107/150,W:R:D:Q:S:G,35,0.3684210526315789,66,effect,pnca_p.ser179ile,7.18700589334483e-05,-8.98740878149641,0.0001249735077034,0.940032862253634,119.468044435492,-0.0752285585987746,,4692673.510814,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-0.66,-0.1727748691099476,Destabilising,ILE,0,pnca_complex.pdb
|
||||
V180A,V,180,A,A,PZA,15.436,-2.048,Destabilising,-1.661,Destabilising,-0.5291989664082687,-0.4207193515704154,V180,VA180,2.8049,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-2.0,0.0,-4.0,0.0,2.0,0.0,2.0,5.0,0.10216056352391845,Destabilising,-2.408,Destabilising,-0.4105711849957374,6,0.0344827586206896,-,loop,-0.0333333333333332,5.26,VAL,-0.509,-0.41927512355848434,7,7,-0.674,-0.411,7:7,102/150,I:L:V:S:A:G,-8,-0.08602150537634409,53,neutral,pnca_p.val180ala,0.0001437401178668,13.14560022562,511754.463552312,0.92480376844698,139.277183326525,0.094384449136949,0.0001628371344461,,19.411022297013,1.28804840845689,inf,0.0292235860951597,1.53426649183163,0.91081598550184,inf,4.73122070382274,0.0296198560706035,-1.98,-0.518324607329843,Destabilising,ALA,0,pnca_complex.pdb
|
||||
V180G,V,180,G,A,PZA,15.436,-2.785,Destabilising,-1.577,Destabilising,-0.7196382428940569,-0.3994427558257345,V180,VA180,4.93179,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-4.0,0.0,-6.0,0.0,6.0,0.0,13.0,23.0,0.17962652699975962,Destabilising,-3.447,Destabilising,-0.5877237851662404,6,0.0344827586206896,-,loop,-0.0333333333333332,5.26,VAL,-0.509,-0.41927512355848434,7,7,-0.674,-0.411,7:7,102/150,I:L:V:S:A:G,61,0.6421052631578947,80,effect,pnca_p.val180gly,0.0007905706482679,15.1494066679809,3795803.48339175,0.92523341791644,161.432542879438,0.0938435732830823,24.1993753459118,,107.166385135135,2.03005858162844,inf,3.5812015819156903e-09,8.44597123233921,12.2081619622864,inf,47.6847963834956,5.0055851012886495e-12,-2.32,-0.6073298429319371,Destabilising,GLY,0,pnca_complex.pdb
|
||||
V180F,V,180,F,A,PZA,15.436,-1.808,Destabilising,-1.073,Destabilising,-0.4671834625322997,-0.2717831813576494,V180,VA180,10.5926,-22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-10.0,0.0,-6.0,-8.0,-12.0,0.0,-12.0,-4.0,0.3858055492828473,Destabilising,-3.033,Destabilising,-0.5171355498721227,6,0.0344827586206896,-,loop,-0.0333333333333332,5.26,VAL,-0.509,-0.41927512355848434,7,7,-0.674,-0.411,7:7,102/150,I:L:V:S:A:G,57,0.6,75,effect,pnca_p.val180phe,0.0005749604714675,2.6796663501904,14.5802277940117,0.0010245352377103,0.816050632122415,3.28370108999367,3.35697961122208,99.5538692592325,14.5802781289507,1.16376580853041,14.5801759034061,0.0005075351447614,3.29453387923245,2.60435121163486,147.676327006136,15.0663448164144,0.0001037975122989,-1.23,-0.3219895287958115,Destabilising,PHE,0,pnca_complex.pdb
|
||||
V180L,V,180,L,A,PZA,15.436,-0.877,Destabilising,-1.664,Destabilising,-0.2266149870801033,-0.4214792299898683,V180,VA180,-0.0108685,-16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-9.0,0.0,-2.0,-9.0,-10.0,0.0,-10.0,-2.0,-0.0020896139352457126,Stabilising,-2.269,Destabilising,-0.38687127024722934,6,0.0344827586206896,-,loop,-0.0333333333333332,5.26,VAL,-0.509,-0.41927512355848434,7,7,-0.674,-0.411,7:7,102/150,I:L:V:S:A:G,56,0.5894736842105263,75,effect,,,,,,,,,,,,,,,,,,,-0.8,-0.2094240837696335,Destabilising,LEU,0,pnca_complex.pdb
|
||||
L182W,L,182,W,A,PZA,15.184,-1.318,Destabilising,-0.228,Destabilising,-0.3405684754521964,-0.0577507598784194,L182,LA182,4.86413,-20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,4.0,0.0,4.0,2.0,0.17716220252187154,Destabilising,-1.198,Destabilising,-0.2042625745950554,50,0.2487562189054726,E,strand,1.5,4.17,LEU,0.281,0.09006410256410256,4,4,-0.038,0.389,5:4,87/150,F:Q:L:V:R:I,75,0.7894736842105263,85,effect,,,,,,,,,,,,,,,,,,,-1.15,-0.3010471204188482,Destabilising,TRP,0,pnca_complex.pdb
|
||||
L182F,L,182,F,A,PZA,15.184,-1.168,Destabilising,-0.294,Destabilising,-0.3018087855297157,-0.0744680851063829,L182,LA182,4.99445,-6.0,-2.0,0.0,0.0,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,1.0,2.0,0.0,4.0,0.0,0.18190874059397286,Destabilising,-0.804,Destabilising,-0.1370843989769821,50,0.2487562189054726,E,strand,1.5,4.17,LEU,0.281,0.09006410256410256,4,4,-0.038,0.389,5:4,87/150,F:Q:L:V:R:I,47,0.49473684210526314,71,effect,pnca_p.leu182phe,7.18700589334483e-05,-8.98740878149642,0.0001249735077034,0.940032862253634,119.468044435493,-0.0752285585987741,,4692673.5108132,2.42412778478352,0.384555509373631,0.0,1.0,0.0,0.0,188.544222231268,1.0341007080334399e-29,0.999999999999997,-1.0,-0.2617801047120419,Destabilising,PHE,0,pnca_complex.pdb
|
||||
L182S,L,182,S,A,PZA,15.184,-2.349,Destabilising,0.38,Stabilising,-0.6069767441860465,0.1704035874439461,L182,LA182,5.37676,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,0.0,-1.0,0.0,4.0,0.0,4.0,2.0,0.19583330298151938,Destabilising,-1.864,Destabilising,-0.3178175618073316,50,0.2487562189054726,E,strand,1.5,4.17,LEU,0.281,0.09006410256410256,4,4,-0.038,0.389,5:4,87/150,F:Q:L:V:R:I,71,0.7473684210526316,85,effect,pnca_p.leu182ser,0.0007187005893344,1.58037603086922,4.85678176777767,0.0125175169650379,0.632856943325042,2.49720896252777,1.34977418228528,17.4757677148671,4.85678180286436,0.686348592676127,4.85605251831648,0.0171758041796076,1.76508291991092,1.11658950345066,21.1173440246382,5.49640065724654,0.0190556572462216,-1.98,-0.518324607329843,Destabilising,SER,0,pnca_complex.pdb
|
||||
V183L,V,183,L,A,PZA,17.921,-0.423,Destabilising,-0.108,Destabilising,-0.1093023255813953,-0.0273556231003039,V183,VA183,-0.102908,-10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-3.0,0.0,-1.0,-2.0,-2.0,0.0,0.0,-4.0,-0.01978543413058525,Stabilising,-0.776,Destabilising,-0.13231031543052002,34,0.1954022988505747,E,strand,3.5,4.1,VAL,0.4,0.12820512820512822,4,4,0.083,0.59,5:3,59/150,L:V:I:R:C:T:A:G,-6,-0.06451612903225806,53,neutral,pnca_p.val183leu,0.0001437401178668,-9.98752126245063,4.59700131334244e-05,0.942832958100734,139.277183325399,-0.0717096729269459,,144471.706314865,1.2119588062211,0.0834878586628579,0.0,1.0,0.0,0.0,25.8386585962163,1.0105682238915901e-25,0.999999999999746,-0.67,-0.175392670157068,Destabilising,LEU,0,pnca_complex.pdb
|
||||
|
|
|
@ -1,4 +0,0 @@
|
|||
bookdown.org/jamie/python_visualisation
|
||||
|
||||
# useful nature series of articles
|
||||
https://www.nature.com/collections/qghhqm/pointsofsignificance
|
||||
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Reference in a new issue