autodock-test 4.2.6-3 / usr / share / autodock / Tests / 1pgp_lig_33tors.pdbqt

This file is indexed.

/usr/share/autodock/Tests/1pgp_lig_33tors.pdbqt is in autodock-test 4.2.6-3.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

  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
 31
 32
 33
 34
 35
 36
 37
 38
 39
 40
 41
 42
 43
 44
 45
 46
 47
 48
 49
 50
 51
 52
 53
 54
 55
 56
 57
 58
 59
 60
 61
 62
 63
 64
 65
 66
 67
 68
 69
 70
 71
 72
 73
 74
 75
 76
 77
 78
 79
 80
 81
 82
 83
 84
 85
 86
 87
 88
 89
 90
 91
 92
 93
 94
 95
 96
 97
 98
 99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
REMARK  33 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_7317  and  C2_7318 
REMARK    2  A    between atoms: C4_7322  and  O5_7335 
REMARK    3  A    between atoms: O7_7339  and  P1_7340 
REMARK    4  A    between atoms: C4_7322  and  C5_7324 
REMARK    5  A    between atoms: C3_7320  and  C4_7322 
REMARK    6  A    between atoms: C2_7318  and  C3_7320 
REMARK    7  A    between atoms: C5_7324  and  C6_7326 
REMARK    8  A    between atoms: C2_7318  and  O3_7331 
REMARK    9  A    between atoms: C3_7320  and  O4_7333 
REMARK   10  A    between atoms: C5_7324  and  O6_7337 
REMARK   11  A    between atoms: C6_7326  and  O7_7339 
REMARK RMS_REF  0.6600
ROOT
ATOM      1  C4  PGP     1      22.894  28.598  40.259  1.00 30.80     0.180 C 
ENDROOT
BRANCH   1   2
ATOM      2  C3  PGP     1      21.922  27.809  39.260  1.00 30.93     0.188 C 
BRANCH   2   3
ATOM      3  C2  PGP     1      20.328  27.813  39.443  1.00 35.22     0.250 C 
BRANCH   3   4
ATOM      4  O3  PGP     1      19.999  27.345  40.750  1.00 40.31    -0.382 OA
ATOM      5  HO3 PGP     1      19.598  28.087  41.193  1.00  0.00     0.210 HD
ENDBRANCH   3   4
BRANCH   3   6
ATOM      6  C1  PGP     1      19.701  29.203  39.198  1.00 35.87     0.205 C 
ATOM      7  O2  PGP     1      18.498  29.386  39.417  1.00 37.45    -0.646 OA
ATOM      8  O1  PGP     1      20.399  30.200  38.707  1.00 36.75    -0.646 OA
ENDBRANCH   3   6
ENDBRANCH   2   3
BRANCH   2   9
ATOM      9  O4  PGP     1      22.087  28.265  37.936  1.00 33.78    -0.390 OA
ATOM     10  HO4 PGP     1      22.065  29.222  38.002  1.00  0.00     0.210 HD
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  O5  PGP     1      22.804  30.023  40.224  1.00 30.90    -0.390 OA
ATOM     12  HO5 PGP     1      23.534  30.396  40.714  1.00  0.00     0.210 HD
ENDBRANCH   1  11
BRANCH   1  13
ATOM     13  C5  PGP     1      24.464  28.252  40.029  1.00 29.83     0.173 C 
BRANCH  13  14
ATOM     14  O6  PGP     1      25.163  28.259  41.267  1.00 26.30    -0.391 OA
ATOM     15  H6  PGP     1      25.947  28.806  41.185  1.00  0.00     0.210 HD
ENDBRANCH  13  14
BRANCH  13  16
ATOM     16  C6  PGP     1      25.350  29.132  39.061  1.00 33.11     0.217 C 
BRANCH  16  17
ATOM     17  O7  PGP     1      25.797  30.509  39.509  1.00 32.60    -0.405 OA
BRANCH  17  18
ATOM     18  P1  PGP     1      27.362  30.851  39.818  1.00 28.88     0.422 P 
ATOM     19  O8  PGP     1      27.636  30.201  41.167  1.00 30.33    -0.742 OA
ATOM     20  O9  PGP     1      27.639  32.300  40.093  1.00 26.26    -0.742 OA
ATOM     21  O10 PGP     1      28.360  30.259  38.733  1.00 30.04    -0.742 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   1   2
ATOM      2  C3  PGP     1      21.922  27.809  39.260  1.00 30.93     0.188 C 
BRANCH   2   3
ATOM      3  C2  PGP     1      20.328  27.813  39.443  1.00 35.22     0.250 C 
BRANCH   3   4
ATOM      4  O3  PGP     1      19.999  27.345  40.750  1.00 40.31    -0.382 OA
ATOM      5  HO3 PGP     1      19.598  28.087  41.193  1.00  0.00     0.210 HD
ENDBRANCH   3   4
BRANCH   3   6
ATOM      6  C1  PGP     1      19.701  29.203  39.198  1.00 35.87     0.205 C 
ATOM      7  O2  PGP     1      18.498  29.386  39.417  1.00 37.45    -0.646 OA
ATOM      8  O1  PGP     1      20.399  30.200  38.707  1.00 36.75    -0.646 OA
ENDBRANCH   3   6
ENDBRANCH   2   3
BRANCH   2   9
ATOM      9  O4  PGP     1      22.087  28.265  37.936  1.00 33.78    -0.390 OA
ATOM     10  HO4 PGP     1      22.065  29.222  38.002  1.00  0.00     0.210 HD
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  O5  PGP     1      22.804  30.023  40.224  1.00 30.90    -0.390 OA
ATOM     12  HO5 PGP     1      23.534  30.396  40.714  1.00  0.00     0.210 HD
ENDBRANCH   1  11
BRANCH   1  13
ATOM     13  C5  PGP     1      24.464  28.252  40.029  1.00 29.83     0.173 C 
BRANCH  13  14
ATOM     14  O6  PGP     1      25.163  28.259  41.267  1.00 26.30    -0.391 OA
ATOM     15  H6  PGP     1      25.947  28.806  41.185  1.00  0.00     0.210 HD
ENDBRANCH  13  14
BRANCH  13  16
ATOM     16  C6  PGP     1      25.350  29.132  39.061  1.00 33.11     0.217 C 
BRANCH  16  17
ATOM     17  O7  PGP     1      25.797  30.509  39.509  1.00 32.60    -0.405 OA
BRANCH  17  18
ATOM     18  P1  PGP     1      27.362  30.851  39.818  1.00 28.88     0.422 P 
ATOM     19  O8  PGP     1      27.636  30.201  41.167  1.00 30.33    -0.742 OA
ATOM     20  O9  PGP     1      27.639  32.300  40.093  1.00 26.26    -0.742 OA
ATOM     21  O10 PGP     1      28.360  30.259  38.733  1.00 30.04    -0.742 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   1   2
ATOM      2  C3  PGP     1      21.922  27.809  39.260  1.00 30.93     0.188 C 
BRANCH   2   3
ATOM      3  C2  PGP     1      20.328  27.813  39.443  1.00 35.22     0.250 C 
BRANCH   3   4
ATOM      4  O3  PGP     1      19.999  27.345  40.750  1.00 40.31    -0.382 OA
ATOM      5  HO3 PGP     1      19.598  28.087  41.193  1.00  0.00     0.210 HD
ENDBRANCH   3   4
BRANCH   3   6
ATOM      6  C1  PGP     1      19.701  29.203  39.198  1.00 35.87     0.205 C 
ATOM      7  O2  PGP     1      18.498  29.386  39.417  1.00 37.45    -0.646 OA
ATOM      8  O1  PGP     1      20.399  30.200  38.707  1.00 36.75    -0.646 OA
ENDBRANCH   3   6
ENDBRANCH   2   3
BRANCH   2   9
ATOM      9  O4  PGP     1      22.087  28.265  37.936  1.00 33.78    -0.390 OA
ATOM     10  HO4 PGP     1      22.065  29.222  38.002  1.00  0.00     0.210 HD
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  O5  PGP     1      22.804  30.023  40.224  1.00 30.90    -0.390 OA
ATOM     12  HO5 PGP     1      23.534  30.396  40.714  1.00  0.00     0.210 HD
ENDBRANCH   1  11
BRANCH   1  13
ATOM     13  C5  PGP     1      24.464  28.252  40.029  1.00 29.83     0.173 C 
BRANCH  13  14
ATOM     14  O6  PGP     1      25.163  28.259  41.267  1.00 26.30    -0.391 OA
ATOM     15  H6  PGP     1      25.947  28.806  41.185  1.00  0.00     0.210 HD
ENDBRANCH  13  14
BRANCH  13  16
ATOM     16  C6  PGP     1      25.350  29.132  39.061  1.00 33.11     0.217 C 
BRANCH  16  17
ATOM     17  O7  PGP     1      25.797  30.509  39.509  1.00 32.60    -0.405 OA
BRANCH  17  18
ATOM     18  P1  PGP     1      27.362  30.851  39.818  1.00 28.88     0.422 P 
ATOM     19  O8  PGP     1      27.636  30.201  41.167  1.00 30.33    -0.742 OA
ATOM     20  O9  PGP     1      27.639  32.300  40.093  1.00 26.26    -0.742 OA
ATOM     21  O10 PGP     1      28.360  30.259  38.733  1.00 30.04    -0.742 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 7

APT Browse - Built by Thomas Orozco.