File: github1023.pdb

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rdkit 201809.1%2Bdfsg-6
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file content (272 lines) | stat: -rw-r--r-- 13,462 bytes parent folder | download | duplicates (6)
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ATOM      1  CA  GLU A  95     -42.517  32.515  61.844  1.00 43.02           C  
ATOM      2  C   GLU A  95     -43.183  31.362  61.091  1.00 39.45           C  
ATOM      3  O   GLU A  95     -44.405  31.346  60.909  1.00 38.93           O  
ATOM      4  CB  GLU A  95     -43.565  33.590  62.150  1.00 47.81           C  
ATOM      5  N   GLN A  96     -42.396  30.375  60.691  1.00 33.00           N  
ATOM      6  CA  GLN A  96     -42.934  29.244  59.958  1.00 29.35           C  
ATOM      7  O   GLN A  96     -41.394  27.982  61.280  1.00 27.93           O  
ATOM      8  N   ARG A  97     -43.231  26.906  60.542  1.00 23.84           N  
ATOM      9  CB  ARG A  97     -43.599  25.412  62.475  1.00 24.53           C  
ATOM     10  CG  ARG A  97     -43.209  26.402  63.522  1.00 34.41           C  
ATOM     11  CD  ARG A  97     -43.449  25.887  64.908  1.00 43.03           C  
ATOM     12  NE  ARG A  97     -43.155  26.945  65.864  1.00 52.24           N  
ATOM     13  CZ  ARG A  97     -43.582  26.973  67.124  1.00 57.07           C  
ATOM     14  NH1 ARG A  97     -44.328  25.986  67.613  1.00 57.93           N  
ATOM     15  NH2 ARG A  97     -43.298  28.024  67.886  1.00 58.52           N  
ATOM     16  O   PRO A  94     -40.077  33.409  62.875  1.00 44.70           O  
ATOM     17  N   GLU A  95     -41.425  33.126  61.092  1.00 43.45           N  
ATOM     18  CG  GLU A  95     -43.023  34.800  62.905  1.00 57.95           C  
ATOM     19  C   PRO A  94     -40.304  33.549  61.670  1.00 41.82           C  
ATOM     20  CD  GLU A  95     -43.972  35.993  62.909  1.00 62.12           C  
ATOM     21  OE2 GLU A  95     -44.446  36.368  64.008  1.00 65.19           O  
ATOM     22  CA  GLY A  89     -39.229  26.621  63.222  1.00 19.07           C  
ATOM     23  CB  GLN A  96     -42.469  29.306  58.487  1.00 31.02           C  
ATOM     24  O   GLU A  87     -41.158  21.846  65.332  1.00 18.02           O  
ATOM     25  CB  GLU A  87     -43.686  21.105  63.880  1.00 19.18           C  
ATOM     26  CA  GLU A  88     -39.270  22.909  63.557  1.00 16.62           C  
ATOM     27  N   GLY A  89     -39.110  25.271  63.713  1.00 16.99           N  
ATOM     28  C   GLY A  89     -37.794  27.111  63.214  1.00 19.92           C  
ATOM     29  N   CYS A  90     -37.526  28.158  62.455  1.00 20.42           N  
ATOM     30  O   CYS A  90     -37.153  30.835  61.900  1.00 24.52           O  
ATOM     31  CA  PRO A  94     -39.276  34.225  60.766  1.00 38.94           C  
ATOM     32  O   GLU A  42     -37.308  30.801  71.120  1.00 40.56           O  
ATOM     33  CB  GLU A  42     -38.315  33.192  72.155  1.00 49.41           C  
ATOM     34  OE1 GLU A  42     -41.089  33.766  73.012  1.00 62.63           O  
ATOM     35  CG  GLU A  42     -38.756  34.332  73.092  1.00 55.52           C  
ATOM     36  CD  GLU A  42     -40.239  34.685  72.964  1.00 60.12           C  
ATOM     37  OE2 GLU A  42     -40.555  35.887  72.818  1.00 63.38           O  
ATOM     38  OE1 GLU A  95     -44.224  36.565  61.821  1.00 62.98           O  
ATOM     39  CD1 ILE A  86     -38.432  19.007  67.581  1.00  9.60           C  
ATOM     40  N   GLU A  87     -41.997  19.362  64.463  1.00 10.06           N  
ATOM     41  CB  GLU A  88     -37.939  22.426  62.966  1.00 14.70           C  
ATOM     42  O   GLY A  89     -36.928  26.541  63.898  1.00 18.61           O  
ATOM     43  CA  CYS A  90     -36.179  28.703  62.386  1.00 23.53           C  
ATOM     44  C   CYS A  90     -36.254  30.222  62.482  1.00 23.64           C  
ATOM     45  C   GLU A  42     -36.454  31.654  71.369  1.00 39.99           C  
ATOM     46  CB  PRO A  94     -39.862  35.312  59.881  1.00 38.92           C  
ATOM     47  CA  GLU A  42     -36.801  32.932  72.151  1.00 43.21           C  
ATOM     48  O   GLU A  41     -36.950  33.965  69.591  1.00 39.55           O  
ATOM     49  CB  ILE A  86     -40.307  17.732  66.376  1.00 12.67           C  
ATOM     50  CG  GLU A  88     -37.495  21.046  63.382  1.00 13.65           C  
ATOM     51  N   LEU A  91     -35.341  30.826  63.242  1.00 22.69           N  
ATOM     52  CD2 LEU A  91     -35.628  32.921  66.523  1.00 26.65           C  
ATOM     53  C   GLU A  41     -36.228  34.525  70.410  1.00 39.91           C  
ATOM     54  OD1 ASP A 162     -38.675  39.141  58.341  1.00107.14           O  
ATOM     55  OE1 GLU A  41     -35.647  38.010  67.378  1.00 55.91           O  
ATOM     56  CE1 HIS A   7     -35.825  38.273  60.398  1.00 23.33           C  
ATOM     57  N   ASP A 162     -42.022  40.266  57.791  1.00 87.31           N  
ATOM     58  CA  ASP A 162     -40.719  40.987  57.854  1.00 90.34           C  
ATOM     59  CG  ASP A 162     -38.772  39.458  57.130  1.00104.66           C  
ATOM     60  CA  ILE A  86     -40.832  17.292  64.982  1.00 11.58           C  
ATOM     61  CD1 LEU A 125     -36.297  19.835  70.090  1.00 12.74           C  
ATOM     62  CD2 LEU A 125     -36.363  20.366  72.521  1.00 12.16           C  
ATOM     63  CD1 ILE A  44     -35.779  27.071  73.659  1.00 26.58           C  
ATOM     64  CA  GLY A  43     -34.720  30.374  70.274  1.00 27.35           C  
ATOM     65  CA  LEU A  91     -35.317  32.287  63.380  1.00 23.09           C  
ATOM     66  O   LEU A  91     -35.606  34.032  61.728  1.00 24.75           O  
ATOM     67  CA  GLU A  41     -35.449  35.766  70.027  1.00 40.58           C  
ATOM     68  CB  GLU A  41     -34.726  35.542  68.697  1.00 42.38           C  
ATOM     69  NE2 HIS A   7     -34.953  37.399  60.866  1.00 23.29           N  
ATOM     70  ND1 HIS A   7     -35.945  38.086  59.095  1.00 25.02           N  
ATOM     71  CG  HIS A   7     -35.121  37.056  58.704  1.00 23.04           C  
ATOM     72  CB  ASP A 162     -39.749  40.584  56.717  1.00 99.23           C  
ATOM     73  OD2 ASP A 162     -38.099  38.890  56.236  1.00107.65           O  
ATOM     74  CG2 ILE A  86     -40.166  16.488  67.305  1.00  9.40           C  
ATOM     75  CD  GLU A  88     -36.166  20.637  62.749  1.00 17.66           C  
ATOM     76  CB  ILE A  44     -34.347  25.908  71.915  1.00 22.87           C  
ATOM     77  CG1 ILE A  44     -34.943  25.856  73.318  1.00 27.05           C  
ATOM     78  N   ILE A  44     -34.028  28.153  70.936  1.00 19.81           N  
ATOM     79  CG  LEU A  91     -34.420  32.250  65.874  1.00 21.60           C  
ATOM     80  CB  LEU A  91     -34.262  32.719  64.413  1.00 20.40           C  
ATOM     81  O   ALA A  40     -36.012  37.534  72.084  1.00 39.29           O  
ATOM     82  CD  GLU A  41     -34.637  38.000  68.111  1.00 52.75           C  
ATOM     83  CG  GLU A  41     -33.862  36.711  68.246  1.00 47.44           C  
ATOM     84  CG2 ILE A 128     -34.774  18.417  65.752  1.00 12.52           C  
ATOM     85  CA  LEU A 125     -34.748  17.215  70.908  1.00 12.37           C  
ATOM     86  CB  LEU A 125     -35.545  18.150  71.820  1.00  9.35           C  
ATOM     87  CG2 ILE A  44     -33.658  24.613  71.582  1.00 23.10           C  
ATOM     88  O   GLY A  43     -33.557  29.864  72.304  1.00 20.33           O  
ATOM     89  SG  CYS A  90     -33.905  29.086  60.658  1.00 14.99           S  
ATOM     90  CD1 LEU A  91     -33.176  32.549  66.703  1.00 21.72           C  
ATOM     91  OE2 GLU A  41     -34.240  39.007  68.742  1.00 56.17           O  
ATOM     92  CB  HIS A   7     -35.024  36.603  57.281  1.00 23.52           C  
ATOM     93  ND1 HIS A 132     -33.341  23.770  62.429  1.00 11.70           N  
ATOM     94  CE1 HIS A 132     -33.559  25.072  62.468  1.00 14.95           C  
ATOM     95  NE2 HIS A 132     -32.576  25.637  63.152  1.00 16.79           N  
ATOM     96  CB  HIS A 132     -31.676  22.091  63.304  1.00 16.74           C  
ATOM     97  CG  HIS A 132     -32.178  23.483  63.110  1.00 13.94           C  
ATOM     98  CD2 HIS A 132     -31.700  24.668  63.561  1.00 14.71           C  
ATOM     99  N   GLY A  45     -31.610  27.337  70.139  1.00 22.76           N  
ATOM    100  CG1 VAL A   5     -31.829  35.229  62.630  1.00 13.79           C  
ATOM    101  CB  VAL A   5     -31.638  36.603  63.225  1.00 23.87           C  
ATOM    102  CA  CYS A 129     -31.320  20.687  67.442  1.00 19.01           C  
ATOM    103  CB  CYS A 129     -31.396  21.138  68.902  1.00 20.94           C  
ATOM    104  NH1 ARG A 102     -33.186  20.090  60.945  1.00 11.63           N  
ATOM    105  SG  CYS A 129     -30.700  22.751  69.170  1.00 39.12           S  
ATOM    106  O   GLY A  45     -30.840  28.974  68.199  1.00 24.05           O  
ATOM    107  CG2 VAL A   5     -31.221  36.511  64.686  1.00 19.08           C  
ATOM    108  O   VAL A   5     -31.885  38.399  60.691  1.00 29.23           O  
ATOM    109  CA  HIS A 132     -30.323  21.790  62.631  1.00 11.42           C  
ATOM    110  OE2 GLU A 133     -29.945  25.876  66.893  1.00 24.60           O  
ATOM    111  NE2 GLN A  50     -30.911  31.288  62.692  1.00 27.67           N  
ATOM    112  NE2 HIS A 136     -30.458  27.993  60.712  1.00 26.22           N  
ATOM    113  OE1 GLN A  50     -29.350  30.064  63.745  1.00 24.97           O  
ATOM    114  O   HIS A 132     -29.212  23.745  61.730  1.00 11.21           O  
ATOM    115  OE1 GLU A 133     -28.854  26.373  65.056  1.00 16.25           O  
ATOM    116  CD2 HIS A 136     -29.441  27.269  61.280  1.00 27.52           C  
ATOM    117  O   VAL A  62     -34.710  23.684  77.605  1.00 35.29           O  
ATOM    118  C   VAL A  62     -33.504  23.907  77.512  1.00 33.34           C  
ATOM    119  CG1 VAL A  62     -34.015  21.712  75.532  1.00 34.74           C  
CONECT    1    2    3    4    5
CONECT    1   16   17   18   19
CONECT    1   20   21   31   38
CONECT    1   46
CONECT    2    3    4    5    6
CONECT    2   17   23
CONECT    3    4    5    6   17
CONECT    3   23
CONECT    4   17   18   20   21
CONECT    4   38
CONECT    5    6    7    8   23
CONECT    6    7    8   23
CONECT    7    8    9   10   22
CONECT    7   23
CONECT    8    9   10   23
CONECT    9   10   11   12   13
CONECT    9   25
CONECT   10   11   12   13   14
CONECT   10   15
CONECT   11   12   13   14   15
CONECT   11   25
CONECT   12   13   14   15
CONECT   13   14   15
CONECT   14   15
CONECT   16   17   18   19   31
CONECT   16   46
CONECT   17   18   19   20   31
CONECT   17   38   46
CONECT   18   19   20   21   38
CONECT   19   31   46
CONECT   20   21   38
CONECT   21   38
CONECT   22   26   27   28   29
CONECT   22   42
CONECT   24   25   26   27   39
CONECT   24   40   41   49   50
CONECT   24   60
CONECT   25   26   40   60
CONECT   26   27   40   41   50
CONECT   26   75
CONECT   27   28   29   41   42
CONECT   27   50
CONECT   28   29   42   43   44
CONECT   29   30   42   43   44
CONECT   29   89
CONECT   30   43   44   51   65
CONECT   30   66   89
CONECT   31   46   66
CONECT   32   33   45   47   48
CONECT   32   53   63   64   88
CONECT   33   34   35   36   37
CONECT   33   45   47   48   53
CONECT   34   35   36   37   47
CONECT   35   36   37   47   53
CONECT   35   81
CONECT   36   37   47   53
CONECT   37   47   81
CONECT   39   49   60   61   74
CONECT   39   84
CONECT   40   49   60   74
CONECT   41   42   50   75
CONECT   42   43   94
CONECT   43   44   51   89
CONECT   44   51   65   89
CONECT   45   47   48   53   64
CONECT   45   88
CONECT   46   54
CONECT   47   48   53   64
CONECT   48   52   53   64   67
CONECT   48   68
CONECT   49   60   74
CONECT   50   75   84
CONECT   51   65   66   79   80
CONECT   51   89   90  111
CONECT   52   65   68   79   80
CONECT   52   90
CONECT   53   55   67   68   81
CONECT   53   83
CONECT   54   56   57   58   59
CONECT   54   70   71   72   73
CONECT   54   92
CONECT   55   67   68   82   83
CONECT   55   91
CONECT   56   69   70   71   92
CONECT   56  108
CONECT   57   58   59   72   73
CONECT   58   59   72   73
CONECT   59   70   72   73
CONECT   60   74
CONECT   61   62   84   85   86
CONECT   62   85   86  119
CONECT   63   76   77   78   87
CONECT   63   88
CONECT   64   78   88  106
CONECT   65   66   79   80   90
CONECT   66   69   80  100  101
CONECT   67   68   81   82   83
CONECT   67   91
CONECT   68   79   81   82   83
CONECT   68   90   91
CONECT   69   70   71   92  101
CONECT   69  108
CONECT   70   71   73   92  108
CONECT   71   92  108
CONECT   72   73
CONECT   73   92
CONECT   75   84   93  104
CONECT   76   77   78   87   88
CONECT   76   99
CONECT   77   78   87   88  117
CONECT   77  118  119
CONECT   78   87   88   99  106
CONECT   79   80   90
CONECT   80   90  100  101  107
CONECT   80  111
CONECT   81   82   91
CONECT   82   83   91
CONECT   83   91  107
CONECT   84  102
CONECT   85   86
CONECT   87   99  103  105  119
CONECT   88   99
CONECT   89  111  112
CONECT   90  106  107
CONECT   93   94   95   96   97
CONECT   93   98  104  109
CONECT   94   95   96   97   98
CONECT   95   96   97   98  110
CONECT   95  112  114  115  116
CONECT   96   97   98  102  104
CONECT   96  109  114
CONECT   97   98  104  109  114
CONECT   98  109  110  114  115
CONECT   98  116
CONECT   99  105  106  110
CONECT  100  101  107  108  111
CONECT  101  107  108
CONECT  102  103  105
CONECT  103  105
CONECT  104  109
CONECT  105  110
CONECT  106  110  113  115
CONECT  107  108
CONECT  109  114
CONECT  110  115
CONECT  111  112  113
CONECT  112  113  114  116
CONECT  113  115  116
CONECT  114  115  116
CONECT  115  116
CONECT  117  118  119
CONECT  118  119
END