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projet_court_nz
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added substitution matrix and PB formated barstar from pbxlore lib

Nicolas Zimmermann 4 years ago
parent
5afbb1fbcb
commit
0040915a7c
2 changed files with 48 additions and 0 deletions
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  1. 18 0
      data/PBs_substitution_matrix.dat
  2. 30 0
      data/barstar_md_traj.PB.fasta

+ 18 - 0
data/PBs_substitution_matrix.dat View File 

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+# weights multiplied by 100
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+#   a     b     c     d     e     f     g     h     i     j     k     l     m     n     o     p
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+  516   -59   113  -105  -411  -177   -27  -361    47  -103  -644  -259  -599  -372  -124   -83
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+  -59   541  -146  -210  -155  -310   -97    90   182  -128   -30    29  -745  -242  -165    22
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+  113  -146   360   -14  -333  -240    49  -438  -269  -282  -688  -682  -608  -455  -147     6
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+ -105  -210   -14   221     5  -131  -349  -278  -253  -173  -585  -670 -1573 -1048  -691  -497
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+ -411  -155  -333     5   520   185   186   138  -378   -70  -112  -514 -1136  -469  -617  -632
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+ -177  -310  -240  -131   185   459   -99   -45  -445    83  -214   -88  -547  -629  -406  -552
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+  -27   -97    49  -349   186   -99   665   -99   -89  -118  -409  -138  -124   172   128   254
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+ -361    90  -438  -278   138   -45   -99   632  -205   316   192  -108  -712  -359    95  -399
11 
+   47   182  -269  -253  -378  -445   -89  -205   696   186     8    15  -709  -269  -169   226
12 
+ -103  -128  -282  -173   -70    83  -118   316   186   768   196     5  -398  -340  -117  -104
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+ -644   -30  -688  -585  -112  -214  -409   192     8   196   568   -65  -270  -231  -471  -382
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+ -259    29  -682  -670  -514   -88  -138  -108    15     5   -65   533  -131     8   -11  -316
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+ -599  -745  -608 -1573 -1136  -547  -124  -712  -709  -398  -270  -131   241    -4  -190  -155
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+ -372  -242  -455 -1048  -469  -629   172  -359  -269  -340  -231     8    -4   703    88   146
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+ -124  -165  -147  -691  -617  -406   128    95  -169  -117  -471   -11  -190    88   716    58
18 
+  -83    22     6  -497  -632  -552   254  -399   226  -104  -382  -316  -155   146    58   609

+ 30 - 0
data/barstar_md_traj.PB.fasta View File 

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+>test_data/barstar_md_traj.xtc | frame 0
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+ZZdddfklpmbfklmmmmmmmmnopafklgoiaklmmmmmmmmpacddddddehklmmmm
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+moghilmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 1
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+ZZdddfklpcbfklmmmmmmmmnopafkbghiaklmmmmmmmmpccddddddehklmmmm
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+moghklmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 2
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+ZZdddfklpcbfklmmmmmmmmnopafkbgoiaklmmmmmnopaacddddddehklmmmm
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+mpghklmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 3
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+ZZdddfklpcbfklmmmmmmmmnopafkbgoiaklmmmmmmmmpccddddddehklmmmm
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+mbghilmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 4
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+ZZdddfklpcbfklmmmmmmmmnopafkbghiaklmmmmmmmmpccddddddehklmmmm
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+mcehilmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 5
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+ZZdddfklgcbfklmmmmmmmmnopafkbgoiaklmmmmmmmmpccddddddehklmmmm
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+mbghklmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 6
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+ZZdddfklpcbfklmmmmmmmmnopafkbghiaklmmmmmmmmpccddddddehklmmmm
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+mbghklmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 7
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+ZZdddfklpgbfklmmmmmmmmnopafklgoiaklmmmmmmmmpccddddddehkllmmm
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+mbghklmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 8
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+ZZdddfklpcbfklmmmmmmmmnopafklgoiaklmmmmmmmmpccddddddehklmmmm
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+npghklmmmmmmmmmmmmnopacddddZZ
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+>test_data/barstar_md_traj.xtc | frame 9
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+ZZdddfklpcbfklmmmmmmmmnopafkbgoiaklmmmmmmmmmccddddddehkllmmm
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+mbghklmmmmmmmmmmmmnopacddddZZ