various aa_index_scripts
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11 changed files with 4223 additions and 202 deletions
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scripts/aa_index_scripts/3pl1.pdb
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scripts/aa_index_scripts/3pl1.pdb
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scripts/aa_index_scripts/SP-env
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scripts/aa_index_scripts/SP-env
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# Name Version Build Channel
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_libgcc_mutex 0.1 main
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_py-xgboost-mutex 2.0 cpu_0
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_r-mutex 1.0.0 anacondar_1
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agate 1.6.1 py38_2
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agate-dbf 0.2.1 py_0
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agate-excel 0.2.3 py_0
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agate-sql 0.5.4 py_0
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babel 2.8.0 py_0
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beautifulsoup4 4.9.0 py38_0
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binutils_impl_linux-64 2.33.1 he6710b0_7
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binutils_linux-64 2.33.1 h9595d00_15
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biopython 1.76 py38h7b6447c_0
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blas 1.0 mkl
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brotlipy 0.7.0 py38h7b6447c_1000
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bwidget 1.9.11 1
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bzip2 1.0.8 h7b6447c_0
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ca-certificates 2020.11.8 ha878542_0 conda-forge
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cairo 1.14.12 h8948797_3
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certifi 2020.11.8 py38h578d9bd_0 conda-forge
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cffi 1.14.0 py38h2e261b9_0
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chardet 3.0.4 py38_1003
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cryptography 2.9.2 py38h1ba5d50_0
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csvkit 1.0.4 py38_0 anaconda
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curl 7.67.0 hbc83047_0
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cycler 0.10.0 py38_0
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dbfread 2.0.7 py38_0
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dbus 1.13.16 hb2f20db_0
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dssp 3.0.0 hf484d3e_3 salilab
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et_xmlfile 1.0.1 py_1001
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expat 2.2.9 he6710b0_2
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fontconfig 2.13.0 h9420a91_0
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freetype 2.10.2 h5ab3b9f_0
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fribidi 1.0.9 h7b6447c_0
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gcc_impl_linux-64 7.3.0 habb00fd_1
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gcc_linux-64 7.3.0 h553295d_15
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gfortran_impl_linux-64 7.3.0 hdf63c60_1
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gfortran_linux-64 7.3.0 h553295d_15
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glib 2.63.1 h5a9c865_0
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glob2 0.7 py_0 conda-forge
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graphite2 1.3.14 h23475e2_0
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gsl 2.4 h14c3975_4
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gst-plugins-base 1.14.0 hbbd80ab_1
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gstreamer 1.14.0 hb453b48_1
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gxx_impl_linux-64 7.3.0 hdf63c60_1
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gxx_linux-64 7.3.0 h553295d_15
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harfbuzz 1.8.8 hffaf4a1_0
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icu 58.2 he6710b0_3
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idna 2.10 py_0
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intel-openmp 2020.1 217
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isodate 0.6.0 py_1
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jdcal 1.4.1 py_0
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joblib 0.16.0 py_0
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jpeg 9b h024ee3a_2
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kiwisolver 1.2.0 py38hfd86e86_0
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krb5 1.16.4 h173b8e3_0
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ld_impl_linux-64 2.33.1 h53a641e_7
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leather 0.3.3 py38_0
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libboost 1.67.0 h46d08c1_4
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libcurl 7.67.0 h20c2e04_0
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libedit 3.1.20191231 h14c3975_1
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libffi 3.2.1 hd88cf55_4
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libgcc-ng 9.1.0 hdf63c60_0
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libgfortran-ng 7.3.0 hdf63c60_0
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libpng 1.6.37 hbc83047_0
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libssh2 1.9.0 h1ba5d50_1
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libstdcxx-ng 9.1.0 hdf63c60_0
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libtiff 4.1.0 h2733197_1
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libuuid 1.0.3 h1bed415_2
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libxcb 1.14 h7b6447c_0
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libxgboost 0.90 he1b5a44_4 conda-forge
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libxml2 2.9.10 he19cac6_1
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lz4-c 1.9.2 he6710b0_1
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make 4.2.1 h1bed415_1
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matplotlib 3.1.3 py38_0
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matplotlib-base 3.1.3 py38hef1b27d_0
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mkl 2020.1 217
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mkl-service 2.3.0 py38he904b0f_0
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mkl_fft 1.1.0 py38h23d657b_0
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mkl_random 1.1.1 py38h0573a6f_0
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ncurses 6.2 he6710b0_1
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numpy 1.19.1 py38hbc911f0_0
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numpy-base 1.19.1 py38hfa32c7d_0
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openpyxl 3.0.4 py_0
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openssl 1.1.1h h516909a_0 conda-forge
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os 0.1.4 0 jmcmurray
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pandas 1.0.2 py38h0573a6f_0
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pango 1.42.4 h049681c_0
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parsedatetime 2.4 py38_0
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pcre 8.44 he6710b0_0
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perl 5.26.2 h14c3975_0
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perl-perlio-utf8_strict 0.007 pl526h6bb024c_1 bioconda
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perl-test-warnings 0.026 pl526_1 bioconda
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perl-xsloader 0.24 pl526_0 bioconda
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pip 20.1.1 py38_1
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pixman 0.40.0 h7b6447c_0
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py-xgboost 0.90 py38_4 conda-forge
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pycparser 2.20 py_2
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pyopenssl 19.1.0 py_1
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pyparsing 2.4.7 py_0
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pyqt 5.9.2 py38h05f1152_4
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pysocks 1.7.1 py38_0
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python 3.8.2 h191fe78_0
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python-dateutil 2.8.1 py_0
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python-slugify 3.0.4 py_0
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python_abi 3.8 1_cp38 conda-forge
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pytimeparse 1.1.8 py38_0
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pytz 2020.1 py_0
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qt 5.9.7 h5867ecd_1
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qutil 3.2.1 6 jmcmurray
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r-base 3.6.1 h9bb98a2_1
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r-sys 3.2 r36h96ca727_0 r
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readline 7.0 h7b6447c_5
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requests 2.23.0 py38_0 prometeia
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scikit-learn 0.22.1 py38hd81dba3_0
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scipy 1.4.1 py38h0b6359f_0
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seaborn 0.10.1 py_0
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setuptools 49.2.0 py38_0
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sip 4.19.13 py38he6710b0_0
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six 1.15.0 py_0
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soupsieve 2.0.1 py_0
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sqlalchemy 1.3.18 py38h7b6447c_0
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sqlite 3.32.3 h62c20be_0
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terminalplot 0.3.0 pypi_0 pypi
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text-unidecode 1.3 py_0
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tk 8.6.10 hbc83047_0
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tktable 2.10 h14c3975_0
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tornado 6.0.4 py38h7b6447c_1
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unidecode 1.1.1 py_0
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urllib3 1.25.9 py_0
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wheel 0.34.2 py38_0
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xgboost 0.90 py38he1b5a44_4 conda-forge
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xlrd 1.2.0 py_0
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xz 5.2.5 h7b6447c_0
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zlib 1.2.11 h7b6447c_3
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zstd 1.4.5 h9ceee32_0
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library(bio3d)
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library(seqinr)
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library(bios2mds)
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library(protr)
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#############################################################
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#%% TASK
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# use this to return df for AA index and mutation properties
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source()
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##############################################################
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my_fasta_file = "~/git/Data/streptomycin/input/gid_complex.fasta"
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my_mcsmf_snps = "~/git/Data/streptomycin/output/gid_mcsm_formatted_snps.csv"
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###############################################################
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#%% fasta as vector
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gid_aa_seq_v= read.fasta(my_fasta_file
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, seqtype = "AA"
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, as.string = F)
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gid_aa_v = as.character(gid_aa_seq_v[[1]]); gid_aa_v
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#%% fasta as string
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gid_aa_seq_s = read.fasta(my_fasta_file
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, seqtype = "AA"
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, as.string = T)
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gid_aa_s = as.character(gid_aa_seq_s[[1]]); gid_aa_s
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###############################################################
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#===================
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# AA indices
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# https://www.genome.jp/aaindex/AAindex/list_of_indices
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#===================
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data(aa.index)
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# default
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aai_kd = aa2index(gid_aa_v, index = "KYTJ820101") # Hydropathy, KD
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aai_rv = aa2index(gid_aa_v, index = "BIGC670101") # Residue volume, Bigelow, 1967
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aai_rv2 = aa2index(gid_aa_v, index = "GOLD730102") # Residue volume (Goldsack-Chalifoux, 1973)
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aai_b = aa2index(gid_aa_v, index = "VENT840101") # Bitterness (Venanzi, 1984)
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par(mfrow = c(1,1))
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barplot(aai_kd)
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barplot(aai_rv)
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barplot(aai_rv2)
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#barplot(aai_b, col = c("black", "yellow"))
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##########################################################
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#===================
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# mutation matrices
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#===================
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data(sub.mat)
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snps = read.csv(my_mcsmf_snps
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, header = 0)
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snps
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colnames(snps) <- "mutationinformation"
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# run using all matrices
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sub_mat_names = as.character(unlist(attributes(sub.mat)))
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#sub_mat_names = "BLOSUM80"
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for (j in sub_mat_names){
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print(j)
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snps[[j]] <- NA
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for (i in 1:nrow(snps)) {
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curr_snp = snps$mutationinformation[i]
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m1 = str_match(curr_snp, "^([A-Z]{1})[0-9]*([A-Z]{1})")
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aa1 = m1[,2]
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aa2 = m1[,3]
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#snps$blosum_80[i]
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snps[[j]][i] = sub.mat[[j]][aa1,aa2]
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}
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}
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snps
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##########################################################
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gid_aac = extractAAC(gid_aa_s)
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gid_dc = extractDC(gid_aa_s)
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gid_tc = extractTC(gid_aa_s)
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par(mfrow = c(1, 3))
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barplot(gid_aac)
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barplot(gid_dc)
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barplot(gid_tc)
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###########################################################
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Binary file not shown.
BIN
scripts/aa_index_scripts/aaindex.zip.tar
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scripts/aa_index_scripts/aaindex.zip.tar
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Binary file not shown.
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warnings.filterwarnings("ignore")
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warnings.filterwarnings("ignore")
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CURRENT_FOLDER = '/home/local/BHRI/sportelli/Desktop/Important_Code/structural/aaindex'
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#CURRENT_FOLDER = '/home/local/BHRI/sportelli/Desktop/Important_Code/structural/aaindex'
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CURRENT_FOLDER = '/home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex'
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DATA_FOLDER = os.path.join(CURRENT_FOLDER,'data')
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DATA_FOLDER = os.path.join(CURRENT_FOLDER,'data')
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RSA_SST_DEPENDENT = {
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RSA_SST_DEPENDENT = {
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@ -51,7 +52,7 @@ def get_environment(pdb_file, chain, position, insertion_code=' '):
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structure = parser.get_structure(pdb_file, pdb_file)
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structure = parser.get_structure(pdb_file, pdb_file)
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model = structure[0]
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model = structure[0]
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dssp = DSSP(model, pdb_file)
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dssp = DSSP(model, pdb_file, dssp='mkdssp')
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dssp_key = [item for item in dssp.keys() if item[0] == chain and item[1][1] == int(position) and item[1][2] == insertion_code]
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dssp_key = [item for item in dssp.keys() if item[0] == chain and item[1][1] == int(position) and item[1][2] == insertion_code]
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dssp_key = dssp_key[0]
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dssp_key = dssp_key[0]
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def main():
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def main():
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"""
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"""
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READ IMPUT
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READ INPUT
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"""
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"""
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pdb_file = sys.argv[1]
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pdb_file = sys.argv[1]
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chain_id = sys.argv[2]
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chain_id = sys.argv[2]
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2
scripts/aa_index_scripts/header_file.csv
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scripts/aa_index_scripts/header_file.csv
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ALTS910101,AZAE970101,AZAE970102,BASU010101,BENS940101,BENS940102,BENS940103,BENS940104,BETM990101,BLAJ010101,BONM030101,BONM030102,BONM030103,BONM030104,BONM030105,BONM030106,BRYS930101,CROG050101,CSEM940101,DAYM780301,DAYM780302,DOSZ010101,DOSZ010102,DOSZ010103,DOSZ010104,FEND850101,FITW660101,GEOD900101,GIAG010101,GODA950101,GONG920101,GRAR740104,HENS920101,HENS920102,HENS920103,HENS920104,JOHM930101,JOND920103,JOND940101,KANM000101,KAPO950101,KESO980101,KESO980102,KOLA920101,KOLA930101,KOSJ950100_RSA_SST,KOSJ950100_SST,KOSJ950110_RSA,KOSJ950115,LEVJ860101,LINK010101,LIWA970101,LUTR910101,LUTR910102,LUTR910103,LUTR910104,LUTR910105,LUTR910106,LUTR910107,LUTR910108,LUTR910109,MCLA710101,MCLA720101,MEHP950101,MEHP950102,MEHP950103,MICC010101,MIRL960101,MIYS850102,MIYS850103,MIYS930101,MIYS960101,MIYS960102,MIYS960103,MIYS990106,MIYS990107,MIYT790101,MOHR870101,MOOG990101,MUET010101,MUET020101,MUET020102,NAOD960101,NGPC000101,NIEK910101,NIEK910102,OGAK980101,OVEJ920100_RSA,OVEJ920101,OVEJ920102,OVEJ920103,PARB960101,PARB960102,PRLA000101,PRLA000102,QUIB020101,QU_C930101,QU_C930102,QU_C930103,RIER950101,RISJ880101,ROBB790102,RUSR970101,RUSR970102,RUSR970103,SIMK990101,SIMK990102,SIMK990103,SIMK990104,SIMK990105,SKOJ000101,SKOJ000102,SKOJ970101,TANS760101,TANS760102,THOP960101,TOBD000101,TOBD000102,TUDE900101,VENM980101,VOGG950101,WEIL970101,WEIL970102,ZHAC000101,ZHAC000102,ZHAC000103,ZHAC000104,ZHAC000105,ZHAC000106
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1.0,2.0,-1.0,0.1462,1.1,0.8,0.4,0.8,0.07,-1.0,0.4,0.5,0.4,5.2,5.3,4.9,0.022,-1.0,-0.07,1.0,-1.0,4.9,-5.95,0.3,-1.73,5.0,1.0,9.0,2.0,0.0,0.3,27.0,-1.0,-1.0,-1.0,-1.0,-1.0,1.0,0.0,-5.0,17.7,-1.78,0.19,0.0,0.3,3.7,5.1,4.6,3.5,-1.0,0.056,-2.81,1.0,-5.0,-2.0,5.0,6.0,4.0,0.0,1.0,5.0,4.0,1.0,0.94,0.77,1.69,-0.005081,0.1,-1.81,0.1,0.17,-2.03,0.08,6368.0,0.15,0.06,0.06,6.0,-0.56,-4.0,0.0,0.0,0.0,-3.0,0.1,0.11,-6.8,0.014,-1.0,0.022,0.014,0.6,-2.3,-0.53,-1.11,0.7,0.183,0.656,3.0,89.0,-0.2,-1.47,2.0,0.0,0.0,0.03615,0.08,0.04566,0.02263,0.00258,0.8,0.7,0.6,-3.4,33.0,0.41,0.87,0.08,-2.0,0.07816,5.5,0.0,1.0,-0.26,0.63,0.78,-1.64,0.17,0.48
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1907
scripts/aa_index_scripts/pnca_complex.pdb
Normal file
1907
scripts/aa_index_scripts/pnca_complex.pdb
Normal file
File diff suppressed because it is too large
Load diff
|
|
@ -1,101 +0,0 @@
|
||||||
#!/usr/bin/env Rscript
|
|
||||||
library(bio3d)
|
|
||||||
library(seqinr)
|
|
||||||
library(bios2mds)
|
|
||||||
library(protr)
|
|
||||||
library(stringr)
|
|
||||||
####################################################################
|
|
||||||
# TASK: use this to return df for AA index and mutation properties
|
|
||||||
# useful for dfs
|
|
||||||
|
|
||||||
|
|
||||||
#####################################################################
|
|
||||||
# working dir and loading libraries
|
|
||||||
getwd()
|
|
||||||
setwd("~/git/LSHTM_analysis/scripts/")
|
|
||||||
getwd()
|
|
||||||
|
|
||||||
drug = "streptomycin"
|
|
||||||
gene = "gid"
|
|
||||||
|
|
||||||
source("functions/plotting_globals.R")
|
|
||||||
import_dirs(drug_name = drug, gene_name = gene)
|
|
||||||
|
|
||||||
##############################################################
|
|
||||||
my_fasta_file = paste0(indir, "/", gene, "_complex.fasta")
|
|
||||||
|
|
||||||
my_mcsmf_snps = paste0(outdir, "/", gene, "_mcsm_formatted_snps.csv")
|
|
||||||
|
|
||||||
###############################################################
|
|
||||||
#%% fasta as vector
|
|
||||||
gid_aa_seq_v= read.fasta(my_fasta_file
|
|
||||||
, seqtype = "AA"
|
|
||||||
, as.string = F)
|
|
||||||
|
|
||||||
gid_aa_v = as.character(gid_aa_seq_v[[1]]); gid_aa_v
|
|
||||||
|
|
||||||
#%% fasta as string
|
|
||||||
gid_aa_seq_s = read.fasta(my_fasta_file
|
|
||||||
, seqtype = "AA"
|
|
||||||
, as.string = T)
|
|
||||||
|
|
||||||
gid_aa_s = as.character(gid_aa_seq_s[[1]]); gid_aa_s
|
|
||||||
###############################################################
|
|
||||||
#===================
|
|
||||||
# AA indices
|
|
||||||
# https://www.genome.jp/aaindex/AAindex/list_of_indices
|
|
||||||
#===================
|
|
||||||
data(aa.index)
|
|
||||||
|
|
||||||
# default
|
|
||||||
aai_kd = aa2index(gid_aa_v, index = "KYTJ820101") # Hydropathy, KD
|
|
||||||
|
|
||||||
aai_rv = aa2index(gid_aa_v, index = "BIGC670101") # Residue volume, Bigelow, 1967
|
|
||||||
aai_rv2 = aa2index(gid_aa_v, index = "GOLD730102") # Residue volume (Goldsack-Chalifoux, 1973)
|
|
||||||
aai_b = aa2index(gid_aa_v, index = "VENT840101") # Bitterness (Venanzi, 1984)
|
|
||||||
##########################################################
|
|
||||||
#===================
|
|
||||||
# mutation matrices
|
|
||||||
#===================
|
|
||||||
data(sub.mat)
|
|
||||||
snps = read.csv(my_mcsmf_snps
|
|
||||||
, header = 0)
|
|
||||||
snps
|
|
||||||
colnames(snps) <- "mutationinformation"
|
|
||||||
|
|
||||||
# run using all matrices
|
|
||||||
sub_mat_names = as.character(unlist(attributes(sub.mat)))
|
|
||||||
#sub_mat_names = "BLOSUM80"
|
|
||||||
|
|
||||||
for (j in sub_mat_names){
|
|
||||||
print(j)
|
|
||||||
snps[[j]] <- NA
|
|
||||||
for (i in 1:nrow(snps)) {
|
|
||||||
curr_snp = snps$mutationinformation[i]
|
|
||||||
m1 = str_match(curr_snp, "^([A-Z]{1})[0-9]*([A-Z]{1})")
|
|
||||||
aa1 = m1[,2]
|
|
||||||
aa2 = m1[,3]
|
|
||||||
#snps$blosum_80[i]
|
|
||||||
snps[[j]][i] = sub.mat[[j]][aa1,aa2]
|
|
||||||
}
|
|
||||||
|
|
||||||
}
|
|
||||||
snps
|
|
||||||
##########################################################
|
|
||||||
gid_aac = extractAAC(gid_aa_s)
|
|
||||||
gid_dc = extractDC(gid_aa_s)
|
|
||||||
gid_tc = extractTC(gid_aa_s)
|
|
||||||
|
|
||||||
##########################################################
|
|
||||||
# Plots
|
|
||||||
par(mfrow = c(3,2))
|
|
||||||
|
|
||||||
barplot(aai_kd , main = "AA index: KD")
|
|
||||||
#barplot(aai_rv , main = "AA index: Residue Volume, 1967")
|
|
||||||
barplot(aai_rv2 , main = "AA index: Residue Volume") #1973
|
|
||||||
barplot(aai_b , main = "AA index: Bitterness")
|
|
||||||
|
|
||||||
barplot(gid_aac , main = "AA: composition")
|
|
||||||
barplot(gid_dc , main = "AA: Dipeptide composition")
|
|
||||||
barplot(gid_tc , main = "AA: Tripeptide composition")
|
|
||||||
###########################################################
|
|
||||||
2
scripts/aa_index_scripts/run_aaeg.sh
Executable file
2
scripts/aa_index_scripts/run_aaeg.sh
Executable file
|
|
@ -0,0 +1,2 @@
|
||||||
|
#python /home/sportelli/Desktop/Important_Code/structural/aaindex/get_scores.py /home/sportelli/Desktop/Project_2_rpoB/leprae/RMLE_B_RFP.pdb C P28A
|
||||||
|
python /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/pnca_complex.pdb A L4S
|
||||||
213
scripts/aa_index_scripts/test.pdb
Normal file
213
scripts/aa_index_scripts/test.pdb
Normal file
|
|
@ -0,0 +1,213 @@
|
||||||
|
==== Secondary Structure Definition by the program DSSP, CMBI version 2.0 ==== DATE=2022-05-30 .
|
||||||
|
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
|
||||||
|
HEADER HYDROLASE 12-NOV-10 3PL1 .
|
||||||
|
COMPND MOL_ID: 1; MOLECULE: PYRAZINAMIDASE/NICOTINAMIDASE PNCA (PZASE); CHAIN .
|
||||||
|
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; ORGANISM_T .
|
||||||
|
AUTHOR S.PETRELLA,N.GELUS-ZIENTAL,C.MAYER,W.SOUGAKOFF .
|
||||||
|
185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
|
||||||
|
8635.1 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
|
||||||
|
121 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
|
||||||
|
35 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
|
||||||
|
6 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
|
||||||
|
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
32 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES .
|
||||||
|
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** .
|
||||||
|
0 0 0 0 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
|
||||||
|
2 0 1 0 2 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 PARALLEL BRIDGES PER LADDER .
|
||||||
|
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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER .
|
||||||
|
0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET .
|
||||||
|
# RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA CHAIN
|
||||||
|
1 1 A M 0 0 88 0, 0.0 125,-2.3 0, 0.0 126,-1.7 0.000 360.0 360.0 360.0 -35.2 -7.8 -41.8 12.7
|
||||||
|
2 2 A R E -a 127 0A 55 123,-0.2 40,-1.5 124,-0.2 41,-1.3 -0.954 360.0-178.6-117.9 134.0 -8.0 -38.7 10.3
|
||||||
|
3 3 A A E -ab 128 43A 0 124,-2.2 126,-2.1 -2,-0.4 2,-0.4 -0.960 22.5-135.9-126.5 153.8 -5.3 -35.9 10.2
|
||||||
|
4 4 A L E -ab 129 44A 0 39,-2.2 41,-2.2 -2,-0.3 2,-0.5 -0.914 16.6-158.4-103.2 132.4 -5.0 -32.7 8.2
|
||||||
|
5 5 A I E -ab 130 45A 0 124,-2.8 126,-2.1 -2,-0.4 2,-0.7 -0.967 3.5-157.1-113.7 111.9 -1.5 -32.0 6.7
|
||||||
|
6 6 A I E -ab 131 46A 1 39,-2.5 41,-2.3 -2,-0.5 2,-0.5 -0.814 16.9-146.7 -91.9 112.2 -0.8 -28.3 5.9
|
||||||
|
7 7 A V E -ab 132 47A 0 124,-3.0 126,-2.4 -2,-0.7 41,-0.1 -0.695 52.3 -38.8 -95.6 119.1 1.9 -28.1 3.2
|
||||||
|
8 8 A D + 0 0 5 39,-0.8 2,-1.8 -2,-0.5 -1,-0.2 0.705 62.9 168.0 50.5 45.6 4.5 -25.3 2.9
|
||||||
|
9 9 A V + 0 0 0 38,-0.4 73,-1.9 -3,-0.3 2,-0.2 -0.534 32.8 142.1 -89.3 73.5 2.4 -22.3 3.8
|
||||||
|
10 10 A Q B > -H 81 0B 0 -2,-1.8 3,-1.5 71,-0.3 4,-0.3 -0.749 66.1-107.2-123.8 153.3 5.5 -20.1 4.1
|
||||||
|
11 11 A N G > S+ 0 0 42 69,-2.4 3,-1.7 66,-0.4 6,-0.3 0.827 114.3 56.9 -46.1 -47.9 6.5 -16.5 3.3
|
||||||
|
12 12 A D G 3 S+ 0 0 22 66,-2.0 7,-2.5 1,-0.3 -1,-0.2 0.713 107.2 50.6 -64.4 -17.5 8.8 -17.4 0.3
|
||||||
|
13 13 A F G < S+ 0 0 24 -3,-1.5 8,-1.3 65,-0.3 -1,-0.3 0.337 104.8 70.8-100.9 3.1 5.8 -19.1 -1.4
|
||||||
|
14 14 A C S X S- 0 0 1 -3,-1.7 3,-2.7 -4,-0.3 5,-0.1 -0.677 103.9 -57.2-112.7 171.8 3.4 -16.1 -1.0
|
||||||
|
15 15 A E T 3 S+ 0 0 92 6,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.153 128.4 23.3 -45.2 128.4 3.2 -12.6 -2.5
|
||||||
|
16 16 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.065 100.9 120.4 95.4 -23.9 6.5 -10.7 -1.9
|
||||||
|
17 17 A G S X S- 0 0 18 -3,-2.7 3,-1.4 -6,-0.3 -1,-0.3 -0.219 78.8-112.5 -78.9 164.3 8.4 -14.1 -1.5
|
||||||
|
18 18 A S T 3 S+ 0 0 53 1,-0.3 -5,-0.1 -3,-0.1 -1,-0.1 0.817 122.2 30.5 -65.0 -26.4 11.3 -15.3 -3.6
|
||||||
|
19 19 A L T 3 S- 0 0 27 -7,-2.5 -1,-0.3 -5,-0.1 -4,-0.1 -0.276 91.6-175.4-121.3 42.4 9.0 -18.1 -5.0
|
||||||
|
20 20 A A < - 0 0 52 -3,-1.4 2,-0.6 -6,-0.1 -6,-0.2 -0.119 12.7-162.2 -42.9 122.1 5.7 -16.2 -4.8
|
||||||
|
21 21 A V > - 0 0 9 -8,-1.3 3,-2.0 143,-0.0 -6,-0.3 -0.983 28.1-121.4-105.5 107.8 2.5 -18.2 -5.8
|
||||||
|
22 22 A T T 3 S+ 0 0 127 -2,-0.6 140,-0.1 1,-0.3 -8,-0.0 -0.309 101.4 31.3 -46.5 128.7 -0.3 -15.8 -6.5
|
||||||
|
23 23 A G T 3> S+ 0 0 28 138,-0.1 4,-2.2 4,-0.0 -1,-0.3 0.308 87.1 113.8 98.9 -3.6 -3.2 -16.6 -4.1
|
||||||
|
24 24 A G H <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.2 -10,-0.1 0.959 76.1 45.9 -65.4 -50.4 -0.8 -17.7 -1.4
|
||||||
|
25 25 A A H > S+ 0 0 26 -4,-0.2 4,-1.4 1,-0.2 3,-0.5 0.949 115.7 46.8 -56.8 -56.6 -1.6 -14.9 1.1
|
||||||
|
26 26 A A H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 109.9 54.9 -48.4 -47.4 -5.4 -15.4 0.6
|
||||||
|
27 27 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.844 101.0 58.6 -58.1 -36.1 -5.0 -19.2 0.9
|
||||||
|
28 28 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.5 58,-0.2 0.921 111.1 41.8 -62.7 -39.8 -3.2 -18.8 4.4
|
||||||
|
29 29 A R H < S+ 0 0 144 -4,-1.4 5,-0.2 2,-0.2 -1,-0.2 0.862 109.6 56.9 -82.0 -28.0 -6.3 -17.0 5.8
|
||||||
|
30 30 A A H X S+ 0 0 37 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.845 106.8 51.4 -63.2 -36.8 -8.8 -19.3 4.1
|
||||||
|
31 31 A I H < S+ 0 0 0 -4,-2.1 3,-0.2 -5,-0.2 5,-0.2 0.940 103.1 64.0 -67.5 -47.6 -7.1 -22.3 5.9
|
||||||
|
32 32 A S T < S+ 0 0 7 -4,-1.8 2,-1.7 1,-0.2 3,-0.2 -0.364 106.9 33.3 -58.5 157.1 -7.4 -20.4 9.3
|
||||||
|
33 33 A D T > S+ 0 0 77 4,-0.1 4,-0.8 -2,-0.0 2,-0.3 0.135 108.3 71.8 68.6 -34.5 -11.1 -20.1 9.9
|
||||||
|
34 34 A Y T < S+ 0 0 26 -2,-1.7 2,-2.5 -4,-0.7 5,-0.3 -0.515 99.3 44.0 -69.8-179.5 -11.4 -23.4 8.2
|
||||||
|
35 35 A L T 4 S+ 0 0 35 3,-2.1 4,-0.2 -2,-0.3 -3,-0.1 -0.074 115.2 55.0 72.3 -49.9 -9.8 -25.1 11.3
|
||||||
|
36 36 A A T 4 S+ 0 0 66 -2,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.694 117.8 29.8 -78.2 -31.7 -12.3 -22.7 13.1
|
||||||
|
37 37 A E S < S+ 0 0 138 1,-0.9 2,-0.3 -4,-0.8 -3,-0.1 0.835 130.3 14.7 -90.9 -92.1 -15.4 -24.0 11.2
|
||||||
|
38 38 A A + 0 0 45 1,-0.2 -3,-2.1 -5,-0.1 -1,-0.9 -0.785 60.3 144.4 -97.1 160.6 -14.7 -27.6 10.4
|
||||||
|
39 39 A A + 0 0 39 -2,-0.3 -1,-0.2 -5,-0.3 3,-0.1 0.110 5.7 161.7 99.1-174.9 -12.5 -29.3 11.8
|
||||||
|
40 40 A D + 0 0 152 1,-0.2 2,-0.5 -2,-0.1 3,-0.1 0.816 40.4 140.6 77.3 35.7 -13.3 -33.0 12.4
|
||||||
|
41 41 A Y - 0 0 35 1,-0.1 -1,-0.2 -6,-0.1 -38,-0.2 -0.944 49.7-160.5-112.0 126.2 -9.6 -33.9 12.7
|
||||||
|
42 42 A H S S+ 0 0 128 -40,-1.5 2,-0.3 -2,-0.5 -39,-0.2 0.902 88.0 9.1 -59.3 -39.2 -8.1 -36.3 15.2
|
||||||
|
43 43 A H E -b 3 0A 40 -41,-1.3 -39,-2.2 -3,-0.1 2,-0.4 -0.994 60.8-156.3-144.4 149.9 -4.7 -34.4 14.5
|
||||||
|
44 44 A V E +b 4 0A 13 45,-0.3 47,-3.4 -2,-0.3 48,-0.7 -0.993 22.0 165.5-127.5 124.2 -3.3 -31.3 12.6
|
||||||
|
45 45 A V E -bc 5 92A 0 -41,-2.2 -39,-2.5 -2,-0.4 2,-0.3 -0.862 17.8-151.0-131.1 161.3 0.4 -31.1 11.4
|
||||||
|
46 46 A A E -bc 6 93A 0 46,-2.2 48,-2.6 -2,-0.3 2,-0.3 -0.951 4.4-147.0-131.5 158.7 2.3 -28.8 9.0
|
||||||
|
47 47 A T E -bc 7 94A 0 -41,-2.3 -39,-0.8 -2,-0.3 -38,-0.4 -0.858 12.2-165.5-116.7 158.5 5.4 -29.2 6.8
|
||||||
|
48 48 A K E - c 0 95A 19 46,-2.3 48,-1.7 -2,-0.3 2,-0.3 -0.982 23.9-129.0-143.1 133.0 8.0 -26.6 6.0
|
||||||
|
49 49 A D E + c 0 96A 7 -2,-0.3 2,-0.3 46,-0.2 48,-0.2 -0.581 38.0 178.5 -65.2 134.3 10.7 -26.4 3.3
|
||||||
|
50 50 A F - 0 0 56 46,-2.4 2,-0.5 -2,-0.3 23,-0.2 -0.753 8.4-169.0-154.9 98.3 13.9 -25.5 5.4
|
||||||
|
51 51 A H B +i 73 0C 1 21,-2.8 23,-2.5 -2,-0.3 47,-0.2 -0.820 24.4 158.0-105.4 126.1 17.3 -25.2 3.8
|
||||||
|
52 52 A I S S- 0 0 82 46,-1.9 47,-0.2 -2,-0.5 -1,-0.2 0.772 90.4 -16.8-102.3 -58.0 20.7 -24.9 5.6
|
||||||
|
53 53 A D + 0 0 103 45,-3.1 45,-0.1 44,-0.2 44,-0.0 -0.486 67.0 162.0-151.5 90.8 22.8 -26.0 2.8
|
||||||
|
54 54 A P > - 0 0 8 0, 0.0 3,-1.8 0, 0.0 47,-0.3 0.152 31.4-156.4 -91.8 14.0 21.1 -27.8 -0.1
|
||||||
|
55 55 A G G > S+ 0 0 36 1,-0.3 3,-1.9 2,-0.2 45,-0.1 -0.198 73.8 16.3 58.5-128.2 23.9 -27.3 -2.7
|
||||||
|
56 56 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 11,-0.1 12,-0.2 0.591 106.6 84.3 -60.0 -18.9 22.7 -27.5 -6.4
|
||||||
|
57 57 A H G < S+ 0 0 16 -3,-1.8 11,-1.5 10,-0.2 2,-0.4 0.725 93.1 52.2 -52.4 -28.0 19.0 -27.0 -5.4
|
||||||
|
58 58 A F B < S+j 68 0D 43 -3,-1.9 2,-0.3 9,-0.2 3,-0.0 -0.901 71.6 172.3-110.6 147.2 19.8 -23.3 -5.4
|
||||||
|
59 59 A S - 0 0 38 9,-2.0 -3,-0.0 -2,-0.4 8,-0.0 -0.991 42.2-138.3-152.7 150.8 21.4 -21.4 -8.3
|
||||||
|
60 60 A G S S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 7,-0.0 0.672 114.2 40.1 -74.4 -20.0 22.2 -17.9 -9.5
|
||||||
|
61 61 A T S S- 0 0 130 7,-0.1 -1,-0.2 -3,-0.0 6,-0.0 -0.462 93.4-171.6-123.5 57.5 20.9 -19.0 -13.0
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||||||
|
62 62 A P - 0 0 34 0, 0.0 6,-0.1 0, 0.0 -5,-0.0 -0.141 25.8-161.1 -67.7 146.7 17.8 -21.1 -11.9
|
||||||
|
63 63 A D - 0 0 84 4,-0.1 5,-0.2 5,-0.0 0, 0.0 0.406 31.4-130.7 -99.6 2.5 15.8 -23.2 -14.3
|
||||||
|
64 64 A Y S S+ 0 0 135 3,-1.6 4,-0.1 1,-0.1 0, 0.0 0.721 97.1 69.9 49.0 26.0 12.6 -23.6 -12.1
|
||||||
|
65 65 A S S S- 0 0 97 2,-0.5 -1,-0.1 0, 0.0 3,-0.1 0.538 122.9 -7.7-128.1 -50.7 12.7 -27.3 -12.7
|
||||||
|
66 66 A S S S+ 0 0 71 1,-0.2 2,-0.3 -10,-0.0 35,-0.1 0.468 131.5 50.7-121.9 -8.1 15.8 -28.7 -10.8
|
||||||
|
67 67 A S - 0 0 15 -6,-0.0 -3,-1.6 -8,-0.0 -2,-0.5 -0.970 66.0-177.6-133.9 143.5 17.4 -25.4 -9.6
|
||||||
|
68 68 A W B -j 58 0D 45 -11,-1.5 -9,-2.0 -2,-0.3 3,-0.1 -0.924 35.4 -95.1-134.5 156.5 15.7 -22.5 -7.8
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||||||
|
69 69 A P - 0 0 23 0, 0.0 -9,-0.1 0, 0.0 -51,-0.0 -0.488 69.5 -76.5 -67.8 154.0 16.5 -19.0 -6.4
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||||||
|
70 70 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.252 68.6 163.7 -48.3 136.1 17.3 -19.3 -2.7
|
||||||
|
71 71 A H + 0 0 5 1,-0.1 -20,-0.2 -3,-0.1 8,-0.1 -0.982 49.2 17.7-154.7 153.1 14.2 -19.8 -0.6
|
||||||
|
72 72 A C S S- 0 0 0 -2,-0.3 -21,-2.8 1,-0.2 2,-0.4 0.852 75.3-179.8 51.3 43.8 13.1 -20.9 2.9
|
||||||
|
73 73 A V B > -i 51 0C 46 -23,-0.2 3,-2.0 1,-0.1 6,-0.4 -0.644 36.1-102.2 -77.9 127.3 16.7 -20.3 4.2
|
||||||
|
74 74 A S T 3 S+ 0 0 42 -23,-2.5 -1,-0.1 -2,-0.4 -24,-0.1 -0.257 107.4 21.6 -52.9 126.1 17.2 -21.2 7.9
|
||||||
|
75 75 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.0 -23,-0.0 0.480 104.0 101.4 91.0 3.6 17.2 -17.9 10.0
|
||||||
|
76 76 A T S X S- 0 0 56 -3,-2.0 3,-1.0 1,-0.1 4,-0.3 -0.814 81.1-115.3-111.7 161.0 15.4 -15.8 7.4
|
||||||
|
77 77 A P G > S+ 0 0 94 0, 0.0 3,-1.5 0, 0.0 -66,-0.4 0.813 106.7 72.0 -61.6 -32.6 11.7 -14.6 7.3
|
||||||
|
78 78 A G G 3 S+ 0 0 8 1,-0.3 -66,-2.0 -67,-0.2 -65,-0.3 0.804 94.1 55.9 -50.4 -31.2 11.1 -16.6 4.0
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||||||
|
79 79 A A G < S+ 0 0 1 -3,-1.0 -1,-0.3 -6,-0.4 3,-0.1 0.701 91.5 91.4 -82.7 -16.1 11.2 -19.8 6.0
|
||||||
|
80 80 A D S < S- 0 0 86 -3,-1.5 -69,-2.4 -4,-0.3 -68,-0.2 -0.333 87.5 -86.6 -77.4 157.7 8.4 -18.8 8.5
|
||||||
|
81 81 A F B -H 10 0B 40 -71,-0.3 -71,-0.3 1,-0.1 -1,-0.1 -0.292 53.2 -97.4 -50.4 137.0 4.6 -19.4 8.4
|
||||||
|
82 82 A H - 0 0 33 -73,-1.9 -1,-0.1 1,-0.1 -73,-0.1 -0.379 37.0-119.7 -56.0 137.1 2.7 -16.8 6.5
|
||||||
|
83 83 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 103.8 67.4 -63.5 -22.1 1.4 -14.4 9.3
|
||||||
|
84 84 A S S S+ 0 0 33 2,-0.1 -55,-0.2 -59,-0.1 -58,-0.1 -0.036 78.6 85.7 -65.5-171.1 -2.3 -15.1 8.4
|
||||||
|
85 85 A L S S- 0 0 9 -57,-0.2 2,-0.1 1,-0.0 -56,-0.1 0.916 81.5-123.7 77.3 80.3 -2.6 -18.7 9.3
|
||||||
|
86 86 A D - 0 0 97 -58,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.463 20.6-166.7 -55.3 129.6 -3.5 -19.4 13.0
|
||||||
|
87 87 A T > + 0 0 86 -2,-0.1 3,-1.9 1,-0.1 -1,-0.2 0.520 63.4 98.3-101.5 -16.4 -0.8 -21.7 14.3
|
||||||
|
88 88 A S T 3 S+ 0 0 124 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.800 82.8 47.7 -32.6 -47.6 -2.8 -22.6 17.5
|
||||||
|
89 89 A A T 3 S+ 0 0 45 -3,-0.1 2,-0.6 -46,-0.0 -45,-0.3 0.557 82.7 107.9 -84.0 -6.8 -4.1 -25.9 16.1
|
||||||
|
90 90 A I < - 0 0 24 -3,-1.9 -45,-0.2 1,-0.2 3,-0.1 -0.605 42.3-176.2 -89.1 114.8 -0.8 -27.3 14.8
|
||||||
|
91 91 A E + 0 0 102 -47,-3.4 2,-0.3 -2,-0.6 -46,-0.2 0.813 67.0 11.2 -81.1 -34.7 0.5 -30.2 16.9
|
||||||
|
92 92 A A E -c 45 0A 11 -48,-0.7 -46,-2.2 18,-0.0 2,-0.5 -0.995 59.4-143.7-147.9 145.1 3.8 -30.8 15.1
|
||||||
|
93 93 A V E -c 46 0A 27 -2,-0.3 2,-0.5 -48,-0.2 18,-0.3 -0.921 12.9-156.0-105.2 125.9 6.0 -29.2 12.4
|
||||||
|
94 94 A F E -c 47 0A 0 -48,-2.6 -46,-2.3 -2,-0.5 2,-0.4 -0.905 9.6-161.1-104.3 115.6 7.9 -31.5 9.8
|
||||||
|
95 95 A Y E +cD 48 109A 75 14,-2.9 14,-2.3 -2,-0.5 2,-0.3 -0.770 12.8 175.8 -98.6 137.1 11.1 -29.8 8.3
|
||||||
|
96 96 A K E +c 49 0A 8 -48,-1.7 -46,-2.4 -2,-0.4 6,-0.2 -0.969 51.5 41.1-136.2 155.8 12.6 -31.2 5.0
|
||||||
|
97 97 A G + 0 0 7 -2,-0.3 3,-0.5 10,-0.2 -45,-0.4 0.573 55.6 144.3 89.8 16.6 15.5 -30.1 2.8
|
||||||
|
98 98 A A S S+ 0 0 33 1,-0.2 -45,-3.1 -47,-0.2 -46,-1.9 0.925 92.1 5.4 -52.1 -48.6 18.2 -29.1 5.4
|
||||||
|
99 99 A Y S S+ 0 0 161 -47,-0.2 2,-0.3 -48,-0.1 -1,-0.2 0.189 134.3 40.0-118.7 18.3 21.1 -30.4 3.2
|
||||||
|
100 100 A T S S- 0 0 81 -3,-0.5 2,-0.3 -45,-0.1 -45,-0.1 -0.994 88.4 -88.1-161.7 150.7 19.2 -31.4 0.1
|
||||||
|
101 101 A G - 0 0 12 -47,-0.3 2,-0.4 -2,-0.3 -4,-0.2 -0.578 48.7-152.4 -61.2 129.0 16.4 -30.4 -2.4
|
||||||
|
102 102 A A + 0 0 10 -2,-0.3 3,-0.1 -6,-0.2 36,-0.1 -0.905 23.6 178.8-113.7 142.4 13.1 -31.9 -1.0
|
||||||
|
103 103 A Y + 0 0 138 -2,-0.4 2,-0.3 1,-0.2 38,-0.2 0.713 62.8 38.2-107.8 -24.4 10.0 -32.9 -3.0
|
||||||
|
104 104 A S > - 0 0 1 37,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.967 67.8-126.4-138.9 141.5 7.5 -34.3 -0.5
|
||||||
|
105 105 A G G > S+ 0 0 0 33,-0.5 3,-2.3 -2,-0.3 11,-0.3 0.780 106.7 73.9 -53.1 -23.7 6.2 -33.7 3.0
|
||||||
|
106 106 A F G 3 S+ 0 0 29 1,-0.3 11,-0.3 10,-0.1 -1,-0.3 0.636 86.8 62.0 -75.7 -5.8 7.0 -37.4 3.6
|
||||||
|
107 107 A E G < S+ 0 0 88 -3,-2.2 -1,-0.3 8,-0.1 -10,-0.2 0.551 85.8 108.8 -85.0 -8.1 10.7 -36.4 3.7
|
||||||
|
108 108 A G < - 0 0 0 -3,-2.3 8,-1.9 -4,-0.2 2,-0.3 -0.388 49.9-163.2 -78.5 153.3 10.1 -34.2 6.7
|
||||||
|
109 109 A V B -DE 95 115A 66 -14,-2.3 -14,-2.9 6,-0.2 5,-0.2 -0.964 15.2-131.1-125.7 142.4 11.2 -34.8 10.2
|
||||||
|
110 110 A D - 0 0 17 4,-2.4 -16,-0.1 -2,-0.3 -18,-0.0 -0.236 45.0 -80.2 -85.4 179.4 10.0 -33.1 13.4
|
||||||
|
111 111 A E S S+ 0 0 167 -18,-0.3 2,-0.1 2,-0.1 -17,-0.1 0.695 120.9 47.3 -60.0 -23.6 12.3 -31.6 16.1
|
||||||
|
112 112 A N S S- 0 0 109 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.243 125.3 -72.3 -88.3-162.8 13.0 -35.0 17.8
|
||||||
|
113 113 A G S S+ 0 0 68 -2,-0.1 -2,-0.1 -4,-0.1 0, 0.0 0.670 86.0 138.1 -60.2 -5.0 14.0 -37.7 15.4
|
||||||
|
114 114 A T - 0 0 29 -5,-0.2 -4,-2.4 1,-0.1 -2,-0.1 -0.329 40.6-154.5 -87.8 119.0 10.6 -38.3 13.9
|
||||||
|
115 115 A P B > -E 109 0A 50 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.365 33.9-111.2 -67.0 144.3 9.6 -38.8 10.2
|
||||||
|
116 116 A L H > S+ 0 0 0 -8,-1.9 4,-2.1 -11,-0.3 5,-0.2 0.827 114.3 49.0 -44.3 -49.6 6.0 -37.8 9.2
|
||||||
|
117 117 A L H > S+ 0 0 50 -11,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.913 111.3 51.7 -67.0 -38.0 4.6 -41.4 8.5
|
||||||
|
118 118 A N H > S+ 0 0 80 -3,-0.4 4,-1.9 2,-0.2 5,-0.2 0.969 108.7 49.7 -58.3 -53.4 6.0 -42.6 11.9
|
||||||
|
119 119 A W H < S+ 0 0 14 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.890 113.6 47.9 -52.9 -42.4 4.4 -39.8 13.8
|
||||||
|
120 120 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.9 0.881 111.7 46.2 -68.5 -45.5 1.1 -40.5 12.1
|
||||||
|
121 121 A R H ><5S+ 0 0 125 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.761 103.4 63.2 -69.4 -26.2 1.0 -44.3 12.6
|
||||||
|
122 122 A Q T 3<5S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.583 106.4 46.6 -71.8 -13.0 2.0 -44.0 16.2
|
||||||
|
123 123 A R T < 5S- 0 0 98 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.141 121.0-111.1-112.3 12.6 -1.3 -42.1 16.7
|
||||||
|
124 124 A G T < 5 + 0 0 36 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.653 58.7 164.9 62.1 18.1 -3.2 -44.7 14.7
|
||||||
|
125 125 A V < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 -123,-0.2 -0.456 10.6 162.7 -67.6 134.5 -3.8 -42.3 11.8
|
||||||
|
126 126 A D + 0 0 66 -125,-2.3 26,-2.0 1,-0.3 2,-0.3 0.365 58.3 47.0-136.3 -6.9 -5.0 -44.1 8.7
|
||||||
|
127 127 A E E -af 2 152A 55 -126,-1.7 -124,-2.2 24,-0.2 2,-0.3 -0.991 62.5-167.4-143.2 139.9 -6.4 -41.3 6.6
|
||||||
|
128 128 A V E -af 3 153A 0 24,-3.1 26,-2.5 -2,-0.3 2,-0.4 -0.946 14.8-154.6-127.2 148.0 -5.2 -37.8 5.6
|
||||||
|
129 129 A D E -af 4 154A 0 -126,-2.1 -124,-2.8 -2,-0.3 2,-0.4 -0.952 21.4-153.8-109.1 138.4 -6.5 -34.6 4.0
|
||||||
|
130 130 A V E +af 5 155A 0 24,-2.2 26,-1.8 -2,-0.4 2,-0.3 -0.942 20.6 161.8-119.0 132.5 -3.8 -32.4 2.3
|
||||||
|
131 131 A V E +a 6 0A 1 -126,-2.1 -124,-3.0 -2,-0.4 2,-0.3 -0.891 29.4 60.8-136.9 168.7 -4.0 -28.6 1.8
|
||||||
|
132 132 A G E +af 7 160A 0 27,-2.2 29,-1.4 -2,-0.3 2,-0.3 -0.862 69.1 12.3 123.6-147.1 -1.4 -25.8 1.0
|
||||||
|
133 133 A I E S+ f 0 161A 3 -126,-2.4 29,-0.1 -2,-0.3 -2,-0.1 -0.940 100.9 13.1-130.5 140.1 1.2 -24.8 -1.7
|
||||||
|
134 134 A A > > - 0 0 10 27,-0.7 3,-2.7 -2,-0.3 5,-1.7 0.595 49.9-167.2-105.1 145.3 1.7 -25.6 -4.5
|
||||||
|
135 135 A T T 3 5S+ 0 0 3 26,-1.4 5,-0.5 -3,-0.3 27,-0.2 0.819 96.4 44.5 -44.0 -42.3 -1.0 -27.8 -6.0
|
||||||
|
136 136 A D T 3 5S+ 0 0 6 25,-0.2 -1,-0.3 3,-0.1 26,-0.1 0.408 126.0 23.8 -90.1 -1.7 1.2 -28.8 -8.9
|
||||||
|
137 137 A H T <>5S+ 0 0 84 -3,-2.7 4,-2.5 3,-0.0 5,-0.2 0.324 127.9 8.1-127.0 -97.4 4.4 -29.4 -6.8
|
||||||
|
138 138 A C H >5S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -33,-0.5 0.781 126.0 54.1 -73.0 -28.5 4.6 -30.3 -3.2
|
||||||
|
139 139 A V H ><S+ 0 0 0 -5,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.952 111.9 45.3 -63.2 -49.5 0.9 -30.9 -2.6
|
||||||
|
140 140 A R H > S+ 0 0 58 -6,-0.7 4,-2.6 -5,-0.5 5,-0.2 0.940 115.5 47.0 -56.8 -53.1 0.7 -33.3 -5.5
|
||||||
|
141 141 A Q H X S+ 0 0 41 -4,-2.5 4,-1.9 -38,-0.2 -2,-0.2 0.910 113.4 48.1 -61.7 -36.3 3.9 -35.1 -4.3
|
||||||
|
142 142 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.921 111.6 50.4 -73.5 -44.0 2.7 -35.3 -0.7
|
||||||
|
143 143 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.924 112.2 45.7 -57.1 -50.4 -0.7 -36.7 -1.7
|
||||||
|
144 144 A E H X S+ 0 0 19 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.849 111.5 52.3 -69.5 -28.2 0.7 -39.4 -3.9
|
||||||
|
145 145 A D H X S+ 0 0 33 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.864 104.0 57.5 -68.4 -35.9 3.2 -40.4 -1.2
|
||||||
|
146 146 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 -2,-0.2 0.956 111.2 43.4 -54.8 -45.5 0.4 -40.7 1.3
|
||||||
|
147 147 A V H ><5S+ 0 0 37 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.900 110.1 53.7 -70.0 -42.9 -1.2 -43.2 -1.0
|
||||||
|
148 148 A R H 3<5S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.892 107.7 54.1 -54.7 -40.2 2.0 -45.1 -1.8
|
||||||
|
149 149 A N T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.148 126.3 -99.6 -84.2 13.7 2.5 -45.5 2.0
|
||||||
|
150 150 A G T < 5S+ 0 0 63 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.584 75.9 135.6 85.7 9.8 -1.0 -47.0 2.5
|
||||||
|
151 151 A L < - 0 0 10 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.735 59.7-117.8 -94.0 145.0 -3.0 -44.0 3.7
|
||||||
|
152 152 A A E -f 127 0A 49 -26,-2.0 -24,-3.1 -2,-0.3 2,-0.4 -0.646 46.8-159.3 -73.4 126.0 -6.5 -43.1 2.5
|
||||||
|
153 153 A T E +f 128 0A 12 -2,-0.4 28,-2.3 26,-0.3 2,-0.4 -0.959 25.1 175.8-133.0 125.9 -6.0 -39.6 1.0
|
||||||
|
154 154 A R E -fg 129 181A 60 -26,-2.5 -24,-2.2 -2,-0.4 2,-0.4 -0.952 15.9-152.8-116.4 144.7 -7.9 -36.5 0.0
|
||||||
|
155 155 A V E -fg 130 182A 0 26,-2.3 28,-2.3 -2,-0.4 2,-1.2 -0.975 14.4-144.2-102.9 129.4 -6.9 -33.2 -1.4
|
||||||
|
156 156 A L E > - g 0 183A 0 -26,-1.8 3,-2.7 -2,-0.4 28,-0.2 -0.780 19.5-167.0 -91.0 87.9 -9.2 -30.3 -0.5
|
||||||
|
157 157 A V E > S+ 0 0A 45 26,-1.7 3,-1.2 -2,-1.2 -1,-0.2 0.773 80.4 59.7 -58.7 -32.3 -8.7 -28.5 -3.9
|
||||||
|
158 158 A D E 3 S+ 0 0A 76 25,-0.4 -1,-0.3 1,-0.3 26,-0.1 0.677 103.1 55.3 -68.7 -13.5 -10.3 -25.2 -2.8
|
||||||
|
159 159 A L E < S+ 0 0A 6 -3,-2.7 -27,-2.2 -29,-0.2 2,-0.3 -0.157 95.7 80.5-115.5 33.3 -7.6 -25.0 -0.1
|
||||||
|
160 160 A T E < -f 132 0A 22 -3,-1.2 2,-0.4 -29,-0.2 -27,-0.2 -0.859 63.0-149.0-126.2 161.3 -4.6 -25.3 -2.4
|
||||||
|
161 161 A A E -f 133 0A 11 -29,-1.4 -26,-1.4 -2,-0.3 -27,-0.7 -0.984 15.8-161.3-134.1 121.1 -2.8 -22.7 -4.6
|
||||||
|
162 162 A G - 0 0 26 -2,-0.4 3,-0.1 -28,-0.3 6,-0.0 -0.765 21.2-128.3-107.8 161.1 -1.2 -23.8 -7.9
|
||||||
|
163 163 A V S S+ 0 0 87 -2,-0.3 2,-0.3 1,-0.2 -141,-0.2 0.908 86.0 5.2 -77.3 -44.3 1.4 -22.0 -10.0
|
||||||
|
164 164 A S > - 0 0 46 1,-0.1 4,-1.6 -143,-0.0 -1,-0.2 -0.955 65.2-123.4-142.9 153.3 -0.2 -22.1 -13.3
|
||||||
|
165 165 A A H > S+ 0 0 81 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.884 109.2 48.9 -61.4 -43.4 -3.5 -23.3 -14.7
|
||||||
|
166 166 A D H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.934 114.8 42.4 -67.4 -50.6 -2.0 -25.8 -17.2
|
||||||
|
167 167 A T H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.792 111.5 56.9 -62.7 -32.0 0.3 -27.5 -14.8
|
||||||
|
168 168 A T H X S+ 0 0 24 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.935 107.1 48.8 -66.6 -40.8 -2.4 -27.6 -12.1
|
||||||
|
169 169 A V H X S+ 0 0 80 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.934 111.9 48.5 -57.0 -56.3 -4.7 -29.5 -14.5
|
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|
170 170 A A H X S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.890 113.4 49.0 -52.9 -39.7 -1.9 -32.0 -15.3
|
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|
171 171 A A H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.945 109.0 49.9 -70.4 -47.3 -1.3 -32.4 -11.6
|
||||||
|
172 172 A L H X S+ 0 0 51 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.957 112.1 50.1 -57.6 -47.1 -5.0 -32.9 -10.7
|
||||||
|
173 173 A E H X S+ 0 0 114 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.898 109.5 49.4 -57.3 -40.9 -5.3 -35.6 -13.4
|
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|
174 174 A E H X S+ 0 0 104 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.842 107.7 56.7 -69.7 -28.4 -2.1 -37.5 -12.2
|
||||||
|
175 175 A M H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.4 0.956 107.4 46.4 -67.3 -49.0 -3.5 -37.4 -8.6
|
||||||
|
176 176 A R H ><5S+ 0 0 188 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.932 109.8 54.2 -54.8 -46.4 -6.7 -39.2 -9.7
|
||||||
|
177 177 A T H 3<5S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.746 109.3 48.6 -62.9 -23.7 -4.6 -41.8 -11.7
|
||||||
|
178 178 A A T 3<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.421 126.4-108.8 -89.4 -2.1 -2.7 -42.4 -8.5
|
||||||
|
179 179 A S T < 5 + 0 0 87 -3,-2.1 2,-0.3 1,-0.3 -26,-0.3 0.652 64.6 149.3 81.5 19.2 -6.1 -42.8 -6.6
|
||||||
|
180 180 A V < - 0 0 6 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.671 46.2-124.6 -73.5 140.7 -6.2 -39.6 -4.5
|
||||||
|
181 181 A E E -g 154 0A 107 -28,-2.3 -26,-2.3 -2,-0.3 2,-0.6 -0.771 19.5-156.4 -91.7 121.9 -9.7 -38.2 -3.9
|
||||||
|
182 182 A L E +g 155 0A 50 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.900 30.3 145.8-106.7 110.9 -10.2 -34.5 -5.0
|
||||||
|
183 183 A V E -g 156 0A 34 -28,-2.3 -26,-1.7 -2,-0.6 -25,-0.4 -0.836 49.0-103.3-134.4 166.8 -13.1 -32.7 -3.1
|
||||||
|
184 184 A C 0 0 94 -2,-0.3 -28,-0.0 -28,-0.2 -29,-0.0 -0.779 360.0 360.0 -92.4 154.1 -14.0 -29.3 -1.8
|
||||||
|
185 185 A S 0 0 68 -2,-0.3 -1,-0.1 -29,-0.0 -147,-0.0 -0.354 360.0 360.0 -73.8 360.0 -13.6 -28.8 2.0
|
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Reference in a new issue