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cstein/ala_phe_ala.pdb

Created September 25, 2013 12:57
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A sample PDB file
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ala_phe_ala.pdb
COMPND UNNAMED
AUTHOR GENERATED BY OPEN BABEL 2.3.2
ATOM 1 N ALA A 1 0.000 0.000 0.000 1.00 0.00 N
ATOM 2 CA ALA A 1 1.456 0.000 0.000 1.00 0.00 C
ATOM 3 C ALA A 1 1.930 0.000 1.463 1.00 0.00 C
ATOM 4 O ALA A 1 1.160 0.000 2.421 1.00 0.00 O
ATOM 5 HN ALA A 1 -0.495 0.091 0.883 1.00 0.00 H
ATOM 6 HA ALA A 1 1.799 -0.926 -0.476 1.00 0.00 H
ATOM 7 CB ALA A 1 2.010 1.208 -0.746 1.00 0.00 C
ATOM 8 1HB ALA A 1 1.657 1.230 -1.782 1.00 0.00 H
ATOM 9 2HB ALA A 1 1.695 2.143 -0.268 1.00 0.00 H
ATOM 10 3HB ALA A 1 3.104 1.197 -0.763 1.00 0.00 H
ATOM 11 HN ALA A 1 -0.508 0.077 -0.877 1.00 0.00 H
ATOM 12 N ALA A 2 3.241 -0.000 1.742 1.00 0.00 N
ATOM 13 CA ALA A 2 3.690 0.000 3.127 1.00 0.00 C
ATOM 14 C ALA A 2 5.228 0.000 3.127 1.00 0.00 C
ATOM 15 O ALA A 2 5.902 -0.000 2.098 1.00 0.00 O
ATOM 16 HN ALA A 2 3.928 -0.091 0.999 1.00 0.00 H
ATOM 17 HA ALA A 2 3.343 0.926 3.600 1.00 0.00 H
ATOM 18 CB ALA A 2 3.151 -1.208 3.884 1.00 0.00 C
ATOM 19 1HB ALA A 2 2.057 -1.230 3.869 1.00 0.00 H
ATOM 20 2HB ALA A 2 3.508 -2.143 3.438 1.00 0.00 H
ATOM 21 3HB ALA A 2 3.472 -1.197 4.931 1.00 0.00 H
ATOM 22 N ALA A 3 5.898 0.000 4.287 1.00 0.00 N
ATOM 23 CA ALA A 3 7.353 0.000 4.287 1.00 0.00 C
ATOM 24 C ALA A 3 7.828 0.000 5.750 1.00 0.00 C
ATOM 25 O ALA A 3 7.058 0.001 6.709 1.00 0.00 O
ATOM 26 HN ALA A 3 5.403 0.092 5.170 1.00 0.00 H
ATOM 27 HA ALA A 3 7.696 -0.926 3.811 1.00 0.00 H
ATOM 28 CB ALA A 3 7.907 1.208 3.541 1.00 0.00 C
ATOM 29 1HB ALA A 3 7.555 1.230 2.505 1.00 0.00 H
ATOM 30 2HB ALA A 3 7.593 2.143 4.018 1.00 0.00 H
ATOM 31 3HB ALA A 3 9.002 1.197 3.524 1.00 0.00 H
ATOM 32 N ALA A 4 9.138 0.000 6.029 1.00 0.00 N
ATOM 33 CA ALA A 4 9.587 0.001 7.414 1.00 0.00 C
ATOM 34 C ALA A 4 11.125 0.000 7.414 1.00 0.00 C
ATOM 35 O ALA A 4 11.799 -0.000 6.386 1.00 0.00 O
ATOM 36 HN ALA A 4 9.825 -0.092 5.286 1.00 0.00 H
ATOM 37 HA ALA A 4 9.240 0.927 7.887 1.00 0.00 H
ATOM 38 CB ALA A 4 9.048 -1.207 8.171 1.00 0.00 C
ATOM 39 1HB ALA A 4 7.954 -1.229 8.156 1.00 0.00 H
ATOM 40 2HB ALA A 4 9.405 -2.142 7.726 1.00 0.00 H
ATOM 41 3HB ALA A 4 9.370 -1.196 9.218 1.00 0.00 H
ATOM 42 N PHE A 5 11.795 0.001 8.574 1.00 0.00 N
ATOM 43 CA PHE A 5 13.257 0.000 8.574 1.00 0.00 C
ATOM 44 C PHE A 5 13.697 0.001 10.048 1.00 0.00 C
ATOM 45 O PHE A 5 12.900 0.002 10.985 1.00 0.00 O
ATOM 46 CB PHE A 5 13.815 1.225 7.831 1.00 0.00 C
ATOM 47 CG PHE A 5 15.237 1.036 7.355 1.00 0.00 C
ATOM 48 CD2 PHE A 5 16.308 1.641 8.027 1.00 0.00 C
ATOM 49 CE2 PHE A 5 17.618 1.438 7.592 1.00 0.00 C
ATOM 50 CZ PHE A 5 17.869 0.639 6.477 1.00 0.00 C
ATOM 51 CE1 PHE A 5 16.810 0.041 5.797 1.00 0.00 C
ATOM 52 CD1 PHE A 5 15.500 0.236 6.234 1.00 0.00 C
ATOM 53 H PHE A 5 11.328 0.281 9.433 1.00 0.00 H
ATOM 54 HA PHE A 5 13.585 -0.939 8.112 1.00 0.00 H
ATOM 55 HB1 PHE A 5 13.752 2.118 8.467 1.00 0.00 H
ATOM 56 HB2 PHE A 5 13.201 1.454 6.950 1.00 0.00 H
ATOM 57 HD2 PHE A 5 16.130 2.272 8.895 1.00 0.00 H
ATOM 58 HE2 PHE A 5 18.445 1.910 8.117 1.00 0.00 H
ATOM 59 HZ PHE A 5 18.889 0.489 6.133 1.00 0.00 H
ATOM 60 HE1 PHE A 5 17.003 -0.573 4.921 1.00 0.00 H
ATOM 61 HD1 PHE A 5 14.680 -0.233 5.690 1.00 0.00 H
ATOM 62 N ALA A 6 15.001 0.000 10.358 1.00 0.00 N
ATOM 63 CA ALA A 6 15.418 0.001 11.752 1.00 0.00 C
ATOM 64 C ALA A 6 16.955 0.001 11.788 1.00 0.00 C
ATOM 65 O ALA A 6 17.653 -0.000 10.776 1.00 0.00 O
ATOM 66 HN ALA A 6 15.705 -0.092 9.631 1.00 0.00 H
ATOM 67 HA ALA A 6 15.060 0.927 12.217 1.00 0.00 H
ATOM 68 CB ALA A 6 14.861 -1.206 12.497 1.00 0.00 C
ATOM 69 1HB ALA A 6 13.767 -1.228 12.457 1.00 0.00 H
ATOM 70 2HB ALA A 6 15.228 -2.142 12.060 1.00 0.00 H
ATOM 71 3HB ALA A 6 15.158 -1.195 13.551 1.00 0.00 H
ATOM 72 N ALA A 7 17.598 0.001 12.964 1.00 0.00 N
ATOM 73 CA ALA A 7 19.053 0.000 12.998 1.00 0.00 C
ATOM 74 C ALA A 7 19.494 0.001 14.471 1.00 0.00 C
ATOM 75 O ALA A 7 18.701 0.002 15.412 1.00 0.00 O
ATOM 76 HN ALA A 7 17.083 0.093 13.835 1.00 0.00 H
ATOM 77 HA ALA A 7 19.407 -0.926 12.530 1.00 0.00 H
ATOM 78 CB ALA A 7 19.625 1.208 12.264 1.00 0.00 C
ATOM 79 1HB ALA A 7 19.297 1.229 11.219 1.00 0.00 H
ATOM 80 2HB ALA A 7 19.300 2.143 12.733 1.00 0.00 H
ATOM 81 3HB ALA A 7 20.720 1.196 12.272 1.00 0.00 H
ATOM 82 N ALA A 8 20.797 0.001 14.781 1.00 0.00 N
ATOM 83 CA ALA A 8 21.214 0.002 16.175 1.00 0.00 C
ATOM 84 C ALA A 8 22.751 0.001 16.211 1.00 0.00 C
ATOM 85 O ALA A 8 23.449 -0.001 15.199 1.00 0.00 O
ATOM 86 HN ALA A 8 21.502 -0.092 14.054 1.00 0.00 H
ATOM 87 HA ALA A 8 20.857 0.928 16.640 1.00 0.00 H
ATOM 88 CB ALA A 8 20.657 -1.206 16.921 1.00 0.00 C
ATOM 89 1HB ALA A 8 19.563 -1.227 16.880 1.00 0.00 H
ATOM 90 2HB ALA A 8 21.024 -2.141 16.484 1.00 0.00 H
ATOM 91 3HB ALA A 8 20.954 -1.194 17.975 1.00 0.00 H
ATOM 92 N ALA A 9 23.394 0.002 17.387 1.00 0.00 N
ATOM 93 CA ALA A 9 24.850 0.000 17.421 1.00 0.00 C
ATOM 94 C ALA A 9 25.290 0.002 18.894 1.00 0.00 C
ATOM 95 O ALA A 9 24.498 0.003 19.835 1.00 0.00 O
ATOM 96 HN ALA A 9 22.879 0.094 18.258 1.00 0.00 H
ATOM 97 HA ALA A 9 25.203 -0.926 16.953 1.00 0.00 H
ATOM 98 CB ALA A 9 25.421 1.208 16.687 1.00 0.00 C
ATOM 99 1HB ALA A 9 25.093 1.229 15.642 1.00 0.00 H
ATOM 100 2HB ALA A 9 25.097 2.143 17.156 1.00 0.00 H
ATOM 101 3HB ALA A 9 26.517 1.196 16.695 1.00 0.00 H
ATOM 102 OXT ALA A 9 26.620 0.001 19.131 1.00 0.00 O
ATOM 103 HO ALA A 9 27.305 -0.000 18.317 1.00 0.00 H
CONECT 1 11 2 5
CONECT 2 1 3 6 7
CONECT 2
CONECT 3 2 4 12
CONECT 4 3
CONECT 5 1
CONECT 6 2
CONECT 7 2 8 9 10
CONECT 7
CONECT 8 7
CONECT 9 7
CONECT 10 7
CONECT 11 1
CONECT 12 3 13 16
CONECT 13 12 14 17 18
CONECT 13
CONECT 14 13 15 22
CONECT 15 14
CONECT 16 12
CONECT 17 13
CONECT 18 13 19 20 21
CONECT 18
CONECT 19 18
CONECT 20 18
CONECT 21 18
CONECT 22 14 23 26
CONECT 23 22 24 27 28
CONECT 23
CONECT 24 23 25 32
CONECT 25 24
CONECT 26 22
CONECT 27 23
CONECT 28 23 29 30 31
CONECT 28
CONECT 29 28
CONECT 30 28
CONECT 31 28
CONECT 32 24 33 36
CONECT 33 32 34 37 38
CONECT 33
CONECT 34 33 35 42
CONECT 35 34
CONECT 36 32
CONECT 37 33
CONECT 38 33 39 40 41
CONECT 38
CONECT 39 38
CONECT 40 38
CONECT 41 38
CONECT 42 34 43 53
CONECT 43 42 44 46 54
CONECT 43
CONECT 44 43 45 62
CONECT 45 44
CONECT 46 43 47 56 55
CONECT 46
CONECT 47 46 48 52
CONECT 48 47 49 57
CONECT 49 48 50 58
CONECT 50 49 51 59
CONECT 51 50 52 60
CONECT 52 47 51 61
CONECT 53 42
CONECT 54 43
CONECT 55 46
CONECT 56 46
CONECT 57 48
CONECT 58 49
CONECT 59 50
CONECT 60 51
CONECT 61 52
CONECT 62 44 63 66
CONECT 63 62 64 67 68
CONECT 63
CONECT 64 63 65 72
CONECT 65 64
CONECT 66 62
CONECT 67 63
CONECT 68 63 69 70 71
CONECT 68
CONECT 69 68
CONECT 70 68
CONECT 71 68
CONECT 72 64 73 76
CONECT 73 72 74 77 78
CONECT 73
CONECT 74 73 75 82
CONECT 75 74
CONECT 76 72
CONECT 77 73
CONECT 78 73 79 80 81
CONECT 78
CONECT 79 78
CONECT 80 78
CONECT 81 78
CONECT 82 74 83 86
CONECT 83 82 84 87 88
CONECT 83
CONECT 84 83 85 92
CONECT 85 84
CONECT 86 82
CONECT 87 83
CONECT 88 83 89 90 91
CONECT 88
CONECT 89 88
CONECT 90 88
CONECT 91 88
CONECT 92 84 93 96
CONECT 93 92 94 97 98
CONECT 93
CONECT 94 93 95 102
CONECT 95 94
CONECT 96 92
CONECT 97 93
CONECT 98 93 99 100 101
CONECT 98
CONECT 99 98
CONECT 100 98
CONECT 101 98
CONECT 102 94 103
CONECT 103 102
MASTER 0 0 0 0 0 0 0 0 103 0 103 0
END
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