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HFMI-PROFOUND
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BILBY-PRO

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EdeBruyn commited on
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1bacc65
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1 Parent(s): 23a728e

Initial upload for camera-ready version of NeurIPS paper. (part 2)

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  1. motif_pdbs/3H0L_PS01234_c2.pdb +118 -0
  2. motif_pdbs/3K3P_PS00844_c2.pdb +225 -0
  3. motif_pdbs/4DOX_PS00418_c1.pdb +129 -0
  4. motif_pdbs/4KRX_PS01173_c2.pdb +138 -0
  5. motif_pdbs/4M48_PS00754_c1.pdb +182 -0
  6. motif_pdbs/4MY2_PS01185_c1.pdb +87 -0
  7. motif_pdbs/5A39_PS00752_c1.pdb +214 -0
  8. motif_pdbs/5F0E_PS00707_c2.pdb +498 -0
  9. motif_pdbs/5G35_PS00752_c2.pdb +214 -0
  10. motif_pdbs/5M6B_PS00497_c2.pdb +166 -0
  11. motif_pdbs/5NSS_PS00717_c1.pdb +111 -0
  12. motif_pdbs/5TCQ_PS00875_c1.pdb +176 -0
  13. motif_pdbs/6CEI_PS60019_c1.pdb +417 -0
  14. motif_pdbs/6E83_PS01357_c1.pdb +444 -0
  15. motif_pdbs/6F2D_PS01060_c1.pdb +130 -0
  16. motif_pdbs/6I00_PS00920_c1.pdb +124 -0
  17. motif_pdbs/6I5U_PS00920_c2.pdb +124 -0
  18. motif_pdbs/6I6B_PS00951_c1.pdb +146 -0
  19. motif_pdbs/7BL5_PS01129_c1.pdb +119 -0
  20. original_pdbs/10MH_PS00095_c1.pdb +0 -0
  21. original_pdbs/1A22_PS01352_c1.pdb +0 -0
  22. original_pdbs/1A27_PS00061_c1.pdb +0 -0
  23. original_pdbs/1A2Z_PS01333_c1.pdb +0 -0
  24. original_pdbs/1A3G_PS00770_c1.pdb +0 -0
  25. original_pdbs/1A48_PS01057_c1.pdb +0 -0
  26. original_pdbs/1A4E_PS00438_c1.pdb +0 -0
  27. original_pdbs/1A69_PS01232_c1.pdb +0 -0
  28. original_pdbs/1A71_PS00059_c1.pdb +0 -0
  29. original_pdbs/1A8A_PS00223_c1.pdb +0 -0
  30. original_pdbs/1AAB_PS00353_c1.pdb +0 -0
  31. original_pdbs/1ADS_PS00062_c2.pdb +0 -0
  32. original_pdbs/1AEW_PS00204_c1.pdb +0 -0
  33. original_pdbs/1AFS_PS00062_c1.pdb +0 -0
  34. original_pdbs/1AGN_PS00059_c2.pdb +0 -0
  35. original_pdbs/1AGY_PS00155_c2.pdb +0 -0
  36. original_pdbs/1AHD_PS00027_c1.pdb +0 -0
  37. original_pdbs/1AI9_PS00075_c1.pdb +0 -0
  38. original_pdbs/1AKO_PS00727_c1.pdb +0 -0
  39. original_pdbs/1AQ2_PS00532_c1.pdb +0 -0
  40. original_pdbs/1AR1_PS00078_c1.pdb +0 -0
  41. original_pdbs/1ARZ_PS01298_c1.pdb +0 -0
  42. original_pdbs/1AU1_PS00252_c1.pdb +0 -0
  43. original_pdbs/1AUP_PS00074_c1.pdb +0 -0
  44. original_pdbs/1AVD_PS00577_c1.pdb +0 -0
  45. original_pdbs/1AXC_PS00293_c1.pdb +0 -0
  46. original_pdbs/1AXC_PS01251_c1.pdb +0 -0
  47. original_pdbs/1AXK_PS00777_c1.pdb +0 -0
  48. original_pdbs/1AYL_PS00532_c2.pdb +0 -0
  49. original_pdbs/1B0U_PS00211_c1.pdb +0 -0
  50. original_pdbs/1B3A_PS00472_c1.pdb +0 -0
motif_pdbs/3H0L_PS01234_c2.pdb ADDED
@@ -0,0 +1,118 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 B144-158 -> A1-15
4
+ ATOM 1 N LEU A 1 -62.164 22.064 -1.183 1.00 39.19 N
5
+ ATOM 2 CA LEU A 1 -60.892 22.579 -0.712 1.00 38.97 C
6
+ ATOM 3 C LEU A 1 -60.975 23.976 -0.080 1.00 39.01 C
7
+ ATOM 4 O LEU A 1 -59.966 24.647 0.020 1.00 39.38 O
8
+ ATOM 5 CB LEU A 1 -59.874 22.547 -1.858 1.00 38.57 C
9
+ ATOM 6 CG LEU A 1 -59.529 21.102 -2.244 1.00 37.30 C
10
+ ATOM 7 CD1 LEU A 1 -58.554 21.017 -3.403 1.00 36.47 C
11
+ ATOM 8 CD2 LEU A 1 -58.918 20.461 -1.083 1.00 36.99 C
12
+ ATOM 9 N ASN A 2 -62.154 24.401 0.371 1.00 39.08 N
13
+ ATOM 10 CA ASN A 2 -62.277 25.675 1.113 1.00 39.51 C
14
+ ATOM 11 C ASN A 2 -61.411 25.710 2.387 1.00 39.68 C
15
+ ATOM 12 O ASN A 2 -60.919 26.766 2.805 1.00 39.20 O
16
+ ATOM 13 CB ASN A 2 -63.726 25.931 1.538 1.00 39.66 C
17
+ ATOM 14 CG ASN A 2 -64.623 26.355 0.391 1.00 40.52 C
18
+ ATOM 15 OD1 ASN A 2 -64.224 27.116 -0.503 1.00 39.52 O
19
+ ATOM 16 ND2 ASN A 2 -65.860 25.860 0.419 1.00 38.93 N
20
+ ATOM 17 N ARG A 3 -61.246 24.547 3.009 1.00 39.64 N
21
+ ATOM 18 CA ARG A 3 -60.566 24.467 4.294 1.00 40.23 C
22
+ ATOM 19 C ARG A 3 -59.043 24.226 4.153 1.00 39.67 C
23
+ ATOM 20 O ARG A 3 -58.277 24.491 5.078 1.00 39.85 O
24
+ ATOM 21 CB ARG A 3 -61.257 23.399 5.165 1.00 40.33 C
25
+ ATOM 22 CG ARG A 3 -60.547 23.107 6.467 1.00 42.63 C
26
+ ATOM 23 CD ARG A 3 -61.509 22.663 7.564 1.00 46.53 C
27
+ ATOM 24 NE ARG A 3 -61.969 21.261 7.510 1.00 50.46 N
28
+ ATOM 25 CZ ARG A 3 -61.194 20.177 7.405 1.00 50.15 C
29
+ ATOM 26 NH1 ARG A 3 -59.885 20.295 7.258 1.00 50.00 N
30
+ ATOM 27 NH2 ARG A 3 -61.740 18.961 7.415 1.00 51.17 N
31
+ ATOM 28 N ALA A 4 -58.614 23.760 2.982 1.00 39.15 N
32
+ ATOM 29 CA ALA A 4 -57.211 23.517 2.709 1.00 38.28 C
33
+ ATOM 30 C ALA A 4 -56.462 24.806 2.947 1.00 38.57 C
34
+ ATOM 31 O ALA A 4 -56.849 25.856 2.424 1.00 38.70 O
35
+ ATOM 32 CB ALA A 4 -57.029 23.068 1.302 1.00 37.24 C
36
+ ATOM 33 N GLY A 5 -55.406 24.730 3.755 1.00 38.35 N
37
+ ATOM 34 CA GLY A 5 -54.575 25.886 4.045 1.00 38.16 C
38
+ ATOM 35 C GLY A 5 -55.000 26.714 5.243 1.00 37.91 C
39
+ ATOM 36 O GLY A 5 -54.349 27.695 5.560 1.00 38.13 O
40
+ ATOM 37 N THR A 6 -56.089 26.342 5.907 1.00 37.63 N
41
+ ATOM 38 CA THR A 6 -56.516 27.047 7.109 1.00 37.20 C
42
+ ATOM 39 C THR A 6 -55.442 26.793 8.180 1.00 36.57 C
43
+ ATOM 40 O THR A 6 -54.961 25.663 8.291 1.00 36.20 O
44
+ ATOM 41 CB THR A 6 -57.877 26.515 7.629 1.00 37.85 C
45
+ ATOM 42 OG1 THR A 6 -58.852 26.473 6.567 1.00 39.48 O
46
+ ATOM 43 CG2 THR A 6 -58.410 27.380 8.779 1.00 37.37 C
47
+ ATOM 44 N PRO A 7 -55.058 27.834 8.958 1.00 35.48 N
48
+ ATOM 45 CA PRO A 7 -54.011 27.663 9.960 1.00 34.81 C
49
+ ATOM 46 C PRO A 7 -54.424 26.810 11.145 1.00 34.58 C
50
+ ATOM 47 O PRO A 7 -55.542 26.950 11.678 1.00 34.64 O
51
+ ATOM 48 CB PRO A 7 -53.742 29.090 10.460 1.00 34.87 C
52
+ ATOM 49 CG PRO A 7 -54.376 30.000 9.463 1.00 35.08 C
53
+ ATOM 50 CD PRO A 7 -55.545 29.229 8.927 1.00 35.89 C
54
+ ATOM 51 N LEU A 8 -53.503 25.953 11.568 1.00 33.69 N
55
+ ATOM 52 CA LEU A 8 -53.727 25.065 12.695 1.00 33.28 C
56
+ ATOM 53 C LEU A 8 -52.563 25.156 13.632 1.00 33.04 C
57
+ ATOM 54 O LEU A 8 -51.430 25.296 13.192 1.00 32.69 O
58
+ ATOM 55 CB LEU A 8 -53.853 23.594 12.225 1.00 32.48 C
59
+ ATOM 56 CG LEU A 8 -54.916 23.222 11.204 1.00 30.42 C
60
+ ATOM 57 CD1 LEU A 8 -54.884 21.680 10.889 1.00 28.85 C
61
+ ATOM 58 CD2 LEU A 8 -56.234 23.633 11.790 1.00 27.90 C
62
+ ATOM 59 N MET A 9 -52.846 25.052 14.926 1.00 33.32 N
63
+ ATOM 60 CA MET A 9 -51.787 24.804 15.887 1.00 33.89 C
64
+ ATOM 61 C MET A 9 -51.873 23.320 16.216 1.00 33.59 C
65
+ ATOM 62 O MET A 9 -52.924 22.849 16.619 1.00 33.25 O
66
+ ATOM 63 CB MET A 9 -51.977 25.658 17.123 1.00 33.63 C
67
+ ATOM 64 CG MET A 9 -51.921 27.157 16.865 1.00 34.71 C
68
+ ATOM 65 SD MET A 9 -52.493 27.936 18.377 1.00 38.07 S
69
+ ATOM 66 CE MET A 9 -52.925 29.608 17.911 1.00 35.74 C
70
+ ATOM 67 N GLU A 10 -50.814 22.559 15.976 1.00 33.63 N
71
+ ATOM 68 CA GLU A 10 -50.853 21.188 16.430 1.00 34.79 C
72
+ ATOM 69 C GLU A 10 -50.267 21.177 17.820 1.00 34.67 C
73
+ ATOM 70 O GLU A 10 -49.120 21.537 17.990 1.00 35.47 O
74
+ ATOM 71 CB GLU A 10 -50.075 20.241 15.524 1.00 34.38 C
75
+ ATOM 72 CG GLU A 10 -50.136 18.791 16.020 1.00 35.88 C
76
+ ATOM 73 CD GLU A 10 -49.523 17.773 15.054 1.00 39.14 C
77
+ ATOM 74 OE1 GLU A 10 -49.765 17.865 13.804 1.00 41.59 O
78
+ ATOM 75 OE2 GLU A 10 -48.822 16.845 15.558 1.00 42.86 O
79
+ ATOM 76 N ILE A 11 -51.054 20.774 18.810 1.00 35.32 N
80
+ ATOM 77 CA ILE A 11 -50.639 20.723 20.211 1.00 35.22 C
81
+ ATOM 78 C ILE A 11 -50.508 19.261 20.691 1.00 35.92 C
82
+ ATOM 79 O ILE A 11 -51.454 18.487 20.657 1.00 35.81 O
83
+ ATOM 80 CB ILE A 11 -51.604 21.526 21.112 1.00 35.28 C
84
+ ATOM 81 CG1 ILE A 11 -51.742 22.972 20.593 1.00 36.00 C
85
+ ATOM 82 CG2 ILE A 11 -51.133 21.525 22.575 1.00 33.80 C
86
+ ATOM 83 CD1 ILE A 11 -52.866 23.792 21.226 1.00 33.94 C
87
+ ATOM 84 N VAL A 12 -49.323 18.877 21.137 1.00 36.66 N
88
+ ATOM 85 CA VAL A 12 -49.121 17.494 21.562 1.00 37.22 C
89
+ ATOM 86 C VAL A 12 -48.777 17.472 23.044 1.00 37.79 C
90
+ ATOM 87 O VAL A 12 -47.963 18.244 23.523 1.00 38.37 O
91
+ ATOM 88 CB VAL A 12 -48.046 16.782 20.738 1.00 36.86 C
92
+ ATOM 89 CG1 VAL A 12 -48.000 15.289 21.086 1.00 37.73 C
93
+ ATOM 90 CG2 VAL A 12 -48.315 16.979 19.250 1.00 36.67 C
94
+ ATOM 91 N THR A 13 -49.454 16.588 23.756 1.00 38.15 N
95
+ ATOM 92 CA THR A 13 -49.369 16.419 25.186 1.00 38.14 C
96
+ ATOM 93 C THR A 13 -48.307 15.367 25.469 1.00 38.63 C
97
+ ATOM 94 O THR A 13 -48.077 14.497 24.636 1.00 38.99 O
98
+ ATOM 95 CB THR A 13 -50.748 15.884 25.626 1.00 38.19 C
99
+ ATOM 96 OG1 THR A 13 -51.598 16.976 25.950 1.00 39.21 O
100
+ ATOM 97 CG2 THR A 13 -50.685 14.958 26.778 1.00 37.96 C
101
+ ATOM 98 N GLU A 14 -47.656 15.427 26.624 1.00 38.94 N
102
+ ATOM 99 CA GLU A 14 -46.948 14.239 27.123 1.00 39.41 C
103
+ ATOM 100 C GLU A 14 -47.969 13.238 27.690 1.00 40.34 C
104
+ ATOM 101 O GLU A 14 -49.103 13.640 28.045 1.00 40.49 O
105
+ ATOM 102 CB GLU A 14 -45.947 14.602 28.212 1.00 39.00 C
106
+ ATOM 103 CG GLU A 14 -44.838 15.527 27.771 1.00 38.00 C
107
+ ATOM 104 CD GLU A 14 -43.778 14.854 26.937 1.00 37.56 C
108
+ ATOM 105 OE1 GLU A 14 -43.660 13.584 26.910 1.00 36.57 O
109
+ ATOM 106 OE2 GLU A 14 -43.046 15.633 26.305 1.00 35.39 O
110
+ ATOM 107 N PRO A 15 -47.595 11.941 27.806 1.00 40.70 N
111
+ ATOM 108 CA PRO A 15 -48.594 10.995 28.319 1.00 41.08 C
112
+ ATOM 109 C PRO A 15 -48.816 11.140 29.831 1.00 41.64 C
113
+ ATOM 110 O PRO A 15 -48.605 10.206 30.605 1.00 42.03 O
114
+ ATOM 111 CB PRO A 15 -48.019 9.629 27.937 1.00 40.80 C
115
+ ATOM 112 CG PRO A 15 -46.563 9.834 27.878 1.00 41.13 C
116
+ ATOM 113 CD PRO A 15 -46.311 11.281 27.507 1.00 40.95 C
117
+ TER 114 PRO A 15
118
+ END
motif_pdbs/3K3P_PS00844_c2.pdb ADDED
@@ -0,0 +1,225 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A280-308 -> A1-29
4
+ ATOM 1 N LEU A 1 45.600 50.763 28.995 1.00 28.68 N
5
+ ATOM 2 CA LEU A 1 44.545 50.267 29.861 1.00 30.08 C
6
+ ATOM 3 C LEU A 1 43.343 49.746 29.064 1.00 30.16 C
7
+ ATOM 4 O LEU A 1 42.378 49.182 29.664 1.00 30.93 O
8
+ ATOM 5 CB LEU A 1 44.098 51.318 30.855 1.00 30.73 C
9
+ ATOM 6 CG LEU A 1 45.197 52.096 31.596 1.00 33.01 C
10
+ ATOM 7 CD1 LEU A 1 44.449 52.838 32.645 1.00 39.77 C
11
+ ATOM 8 CD2 LEU A 1 46.291 51.322 32.255 1.00 32.39 C
12
+ ATOM 9 N GLY A 2 43.398 49.896 27.745 1.00 27.82 N
13
+ ATOM 10 CA GLY A 2 42.240 49.538 26.954 1.00 28.57 C
14
+ ATOM 11 C GLY A 2 41.031 50.438 27.230 1.00 29.44 C
15
+ ATOM 12 O GLY A 2 39.832 49.997 27.121 1.00 30.53 O
16
+ ATOM 13 N CYS A 3 41.303 51.719 27.532 1.00 27.81 N
17
+ ATOM 14 CA CYS A 3 40.233 52.669 27.660 1.00 26.33 C
18
+ ATOM 15 C CYS A 3 39.554 52.824 26.313 1.00 27.33 C
19
+ ATOM 16 O CYS A 3 40.172 52.531 25.251 1.00 28.18 O
20
+ ATOM 17 CB CYS A 3 40.788 53.986 28.095 1.00 25.65 C
21
+ ATOM 18 SG CYS A 3 41.454 53.972 29.738 1.00 26.58 S
22
+ ATOM 19 N CYS A 4 38.279 53.250 26.320 1.00 26.71 N
23
+ ATOM 20 CA CYS A 4 37.609 53.678 25.097 1.00 25.24 C
24
+ ATOM 21 C CYS A 4 36.701 54.815 25.500 1.00 24.17 C
25
+ ATOM 22 O CYS A 4 36.400 54.978 26.689 1.00 22.83 O
26
+ ATOM 23 CB CYS A 4 36.823 52.544 24.493 1.00 26.64 C
27
+ ATOM 24 SG CYS A 4 35.608 51.862 25.695 1.00 32.99 S
28
+ ATOM 25 N GLY A 5 36.313 55.651 24.550 1.00 21.93 N
29
+ ATOM 26 CA GLY A 5 35.406 56.735 24.897 1.00 21.67 C
30
+ ATOM 27 C GLY A 5 36.105 58.046 25.211 1.00 20.41 C
31
+ ATOM 28 O GLY A 5 36.384 58.823 24.302 1.00 21.10 O
32
+ ATOM 29 N LEU A 6 36.396 58.286 26.473 1.00 18.87 N
33
+ ATOM 30 CA LEU A 6 36.955 59.555 26.899 1.00 18.68 C
34
+ ATOM 31 C LEU A 6 37.768 59.263 28.140 1.00 19.58 C
35
+ ATOM 32 O LEU A 6 37.600 58.196 28.732 1.00 19.63 O
36
+ ATOM 33 CB LEU A 6 35.841 60.590 27.215 1.00 19.41 C
37
+ ATOM 34 CG LEU A 6 34.988 60.463 28.462 1.00 17.23 C
38
+ ATOM 35 CD1 LEU A 6 34.183 61.752 28.666 1.00 18.01 C
39
+ ATOM 36 CD2 LEU A 6 34.087 59.282 28.436 1.00 14.47 C
40
+ ATOM 37 N SER A 7 38.671 60.191 28.472 1.00 18.79 N
41
+ ATOM 38 CA SER A 7 39.323 60.263 29.756 1.00 19.19 C
42
+ ATOM 39 C SER A 7 39.945 61.632 29.778 1.00 19.29 C
43
+ ATOM 40 O SER A 7 39.958 62.331 28.793 1.00 18.54 O
44
+ ATOM 41 CB SER A 7 40.403 59.142 29.969 1.00 18.87 C
45
+ ATOM 42 OG SER A 7 39.772 57.901 30.285 1.00 20.30 O
46
+ ATOM 43 N ARG A 8 40.421 62.007 30.962 1.00 20.38 N
47
+ ATOM 44 CA ARG A 8 41.225 63.167 31.156 1.00 20.24 C
48
+ ATOM 45 C ARG A 8 42.422 62.686 31.970 1.00 20.27 C
49
+ ATOM 46 O ARG A 8 42.270 62.043 33.030 1.00 19.70 O
50
+ ATOM 47 CB ARG A 8 40.441 64.207 31.933 1.00 18.46 C
51
+ ATOM 48 CG ARG A 8 41.103 65.572 31.980 1.00 19.13 C
52
+ ATOM 49 CD ARG A 8 40.327 66.416 32.976 1.00 20.78 C
53
+ ATOM 50 NE ARG A 8 40.670 66.053 34.332 1.00 19.29 N
54
+ ATOM 51 CZ ARG A 8 39.865 66.130 35.380 1.00 20.86 C
55
+ ATOM 52 NH1 ARG A 8 38.633 66.551 35.265 1.00 18.71 N
56
+ ATOM 53 NH2 ARG A 8 40.313 65.778 36.545 1.00 20.13 N
57
+ ATOM 54 N CYS A 9 43.600 63.021 31.446 1.00 20.35 N
58
+ ATOM 55 CA CYS A 9 44.879 62.729 32.071 1.00 22.02 C
59
+ ATOM 56 C CYS A 9 45.402 63.961 32.802 1.00 21.61 C
60
+ ATOM 57 O CYS A 9 45.693 64.995 32.201 1.00 19.81 O
61
+ ATOM 58 CB CYS A 9 45.895 62.267 31.024 1.00 22.30 C
62
+ ATOM 59 SG CYS A 9 46.447 60.556 31.223 1.00 31.14 S
63
+ ATOM 60 N ASP A 10 45.509 63.818 34.114 1.00 20.44 N
64
+ ATOM 61 CA ASP A 10 45.949 64.877 35.051 1.00 21.12 C
65
+ ATOM 62 C ASP A 10 47.423 64.679 35.330 1.00 20.27 C
66
+ ATOM 63 O ASP A 10 47.823 63.613 35.738 1.00 22.29 O
67
+ ATOM 64 CB ASP A 10 45.096 64.786 36.317 1.00 20.45 C
68
+ ATOM 65 CG ASP A 10 43.626 65.086 36.026 1.00 23.84 C
69
+ ATOM 66 OD1 ASP A 10 43.351 65.463 34.858 1.00 21.37 O
70
+ ATOM 67 OD2 ASP A 10 42.744 64.957 36.922 1.00 24.55 O
71
+ ATOM 68 N PHE A 11 48.232 65.656 34.968 1.00 19.94 N
72
+ ATOM 69 CA PHE A 11 49.690 65.636 35.132 1.00 19.55 C
73
+ ATOM 70 C PHE A 11 50.187 66.659 36.157 1.00 19.18 C
74
+ ATOM 71 O PHE A 11 49.563 67.693 36.358 1.00 16.73 O
75
+ ATOM 72 CB PHE A 11 50.407 65.890 33.817 1.00 17.75 C
76
+ ATOM 73 CG PHE A 11 50.217 64.794 32.796 1.00 20.28 C
77
+ ATOM 74 CD1 PHE A 11 50.939 63.632 32.876 1.00 19.32 C
78
+ ATOM 75 CD2 PHE A 11 49.323 64.964 31.731 1.00 17.79 C
79
+ ATOM 76 CE1 PHE A 11 50.782 62.648 31.959 1.00 17.45 C
80
+ ATOM 77 CE2 PHE A 11 49.158 63.994 30.803 1.00 16.13 C
81
+ ATOM 78 CZ PHE A 11 49.899 62.845 30.879 1.00 19.94 C
82
+ ATOM 79 N PHE A 12 51.334 66.359 36.756 1.00 19.84 N
83
+ ATOM 80 CA PHE A 12 52.100 67.380 37.463 1.00 22.82 C
84
+ ATOM 81 C PHE A 12 53.297 67.758 36.651 1.00 24.23 C
85
+ ATOM 82 O PHE A 12 53.929 66.904 36.012 1.00 24.24 O
86
+ ATOM 83 CB PHE A 12 52.591 66.957 38.855 1.00 23.56 C
87
+ ATOM 84 CG PHE A 12 51.499 66.762 39.866 1.00 23.75 C
88
+ ATOM 85 CD1 PHE A 12 51.353 65.539 40.501 1.00 23.75 C
89
+ ATOM 86 CD2 PHE A 12 50.636 67.802 40.204 1.00 28.39 C
90
+ ATOM 87 CE1 PHE A 12 50.363 65.358 41.476 1.00 21.40 C
91
+ ATOM 88 CE2 PHE A 12 49.617 67.628 41.162 1.00 25.14 C
92
+ ATOM 89 CZ PHE A 12 49.489 66.389 41.793 1.00 26.91 C
93
+ ATOM 90 N LEU A 13 53.568 69.060 36.643 1.00 25.18 N
94
+ ATOM 91 CA LEU A 13 54.775 69.614 35.999 1.00 26.85 C
95
+ ATOM 92 C LEU A 13 55.607 70.370 37.077 1.00 28.19 C
96
+ ATOM 93 O LEU A 13 55.126 71.328 37.699 1.00 27.00 O
97
+ ATOM 94 CB LEU A 13 54.399 70.493 34.789 1.00 26.60 C
98
+ ATOM 95 CG LEU A 13 55.458 71.286 34.027 1.00 25.69 C
99
+ ATOM 96 CD1 LEU A 13 56.372 70.376 33.250 1.00 22.92 C
100
+ ATOM 97 CD2 LEU A 13 54.693 72.226 33.121 1.00 27.32 C
101
+ ATOM 98 N THR A 14 56.810 69.855 37.347 1.00 30.68 N
102
+ ATOM 99 CA THR A 14 57.673 70.423 38.388 1.00 34.07 C
103
+ ATOM 100 C THR A 14 58.473 71.640 37.861 1.00 36.55 C
104
+ ATOM 101 O THR A 14 58.539 71.860 36.639 1.00 38.01 O
105
+ ATOM 102 CB THR A 14 58.610 69.327 38.998 1.00 33.90 C
106
+ ATOM 103 OG1 THR A 14 59.536 68.880 38.018 1.00 33.30 O
107
+ ATOM 104 CG2 THR A 14 57.796 68.149 39.510 1.00 31.44 C
108
+ ATOM 105 N GLU A 15 59.037 72.443 38.774 1.00 38.98 N
109
+ ATOM 106 CA GLU A 15 59.863 73.630 38.414 1.00 40.80 C
110
+ ATOM 107 C GLU A 15 61.086 73.252 37.563 1.00 41.18 C
111
+ ATOM 108 O GLU A 15 61.565 74.052 36.796 1.00 41.73 O
112
+ ATOM 109 CB GLU A 15 60.323 74.403 39.662 1.00 41.69 C
113
+ ATOM 110 CG GLU A 15 59.270 75.120 40.483 0.50 42.62 C
114
+ ATOM 111 CD GLU A 15 59.902 75.862 41.657 0.50 45.78 C
115
+ ATOM 112 OE1 GLU A 15 61.106 75.649 41.914 0.50 47.06 O
116
+ ATOM 113 OE2 GLU A 15 59.207 76.664 42.324 0.50 47.21 O
117
+ ATOM 114 N ASP A 16 61.571 72.019 37.699 1.00 40.99 N
118
+ ATOM 115 CA ASP A 16 62.626 71.484 36.831 1.00 40.20 C
119
+ ATOM 116 C ASP A 16 62.115 70.960 35.492 1.00 38.92 C
120
+ ATOM 117 O ASP A 16 62.885 70.344 34.767 1.00 38.93 O
121
+ ATOM 118 CB ASP A 16 63.317 70.302 37.528 0.50 40.62 C
122
+ ATOM 119 CG ASP A 16 63.766 70.631 38.922 0.50 42.00 C
123
+ ATOM 120 OD1 ASP A 16 63.237 70.013 39.869 0.50 44.65 O
124
+ ATOM 121 OD2 ASP A 16 64.626 71.516 39.071 0.50 41.16 O
125
+ ATOM 122 N GLY A 17 60.821 71.105 35.197 1.00 37.18 N
126
+ ATOM 123 CA GLY A 17 60.266 70.569 33.944 1.00 35.57 C
127
+ ATOM 124 C GLY A 17 60.076 69.052 33.835 1.00 33.66 C
128
+ ATOM 125 O GLY A 17 60.103 68.463 32.736 1.00 32.77 O
129
+ ATOM 126 N LYS A 18 59.861 68.406 34.976 1.00 33.14 N
130
+ ATOM 127 CA LYS A 18 59.603 66.932 34.963 1.00 32.26 C
131
+ ATOM 128 C LYS A 18 58.099 66.757 34.995 1.00 29.35 C
132
+ ATOM 129 O LYS A 18 57.390 67.506 35.675 1.00 28.17 O
133
+ ATOM 130 CB LYS A 18 60.269 66.193 36.134 1.00 32.11 C
134
+ ATOM 131 CG LYS A 18 61.792 66.256 36.131 1.00 36.00 C
135
+ ATOM 132 CD LYS A 18 62.399 65.937 37.514 1.00 39.24 C
136
+ ATOM 133 CE LYS A 18 63.933 66.034 37.436 0.50 38.34 C
137
+ ATOM 134 NZ LYS A 18 64.606 65.181 38.449 0.50 36.48 N
138
+ ATOM 135 N VAL A 19 57.650 65.788 34.219 1.00 27.82 N
139
+ ATOM 136 CA VAL A 19 56.251 65.473 34.052 1.00 27.39 C
140
+ ATOM 137 C VAL A 19 55.958 64.129 34.768 1.00 27.66 C
141
+ ATOM 138 O VAL A 19 56.649 63.136 34.532 1.00 27.46 O
142
+ ATOM 139 CB VAL A 19 55.888 65.332 32.528 1.00 27.67 C
143
+ ATOM 140 CG1 VAL A 19 54.384 64.704 32.319 1.00 25.07 C
144
+ ATOM 141 CG2 VAL A 19 56.106 66.657 31.796 1.00 25.19 C
145
+ ATOM 142 N TYR A 20 54.938 64.127 35.635 1.00 26.52 N
146
+ ATOM 143 CA TYR A 20 54.428 62.918 36.282 1.00 24.71 C
147
+ ATOM 144 C TYR A 20 52.974 62.756 36.030 1.00 23.83 C
148
+ ATOM 145 O TYR A 20 52.200 63.724 36.079 1.00 23.40 O
149
+ ATOM 146 CB TYR A 20 54.619 62.992 37.793 1.00 24.12 C
150
+ ATOM 147 CG TYR A 20 56.032 63.103 38.178 1.00 24.48 C
151
+ ATOM 148 CD1 TYR A 20 56.757 61.977 38.519 1.00 20.99 C
152
+ ATOM 149 CD2 TYR A 20 56.682 64.365 38.184 1.00 27.57 C
153
+ ATOM 150 CE1 TYR A 20 58.074 62.077 38.847 1.00 24.20 C
154
+ ATOM 151 CE2 TYR A 20 58.032 64.482 38.504 1.00 24.19 C
155
+ ATOM 152 CZ TYR A 20 58.716 63.335 38.836 1.00 28.23 C
156
+ ATOM 153 OH TYR A 20 60.039 63.426 39.234 1.00 30.64 O
157
+ ATOM 154 N LEU A 21 52.582 61.526 35.739 1.00 24.60 N
158
+ ATOM 155 CA LEU A 21 51.159 61.241 35.641 1.00 24.05 C
159
+ ATOM 156 C LEU A 21 50.586 61.231 37.021 1.00 24.33 C
160
+ ATOM 157 O LEU A 21 51.000 60.459 37.851 1.00 24.83 O
161
+ ATOM 158 CB LEU A 21 50.895 59.914 34.965 1.00 24.53 C
162
+ ATOM 159 CG LEU A 21 49.386 59.655 34.968 1.00 23.81 C
163
+ ATOM 160 CD1 LEU A 21 48.625 60.646 34.085 1.00 19.75 C
164
+ ATOM 161 CD2 LEU A 21 49.048 58.253 34.598 1.00 24.38 C
165
+ ATOM 162 N ASN A 22 49.613 62.031 37.301 1.00 24.61 N
166
+ ATOM 163 CA ASN A 22 48.984 61.935 38.581 1.00 25.83 C
167
+ ATOM 164 C ASN A 22 47.807 60.991 38.479 1.00 25.51 C
168
+ ATOM 165 O ASN A 22 47.699 60.064 39.188 1.00 25.20 O
169
+ ATOM 166 CB ASN A 22 48.567 63.303 39.023 1.00 24.56 C
170
+ ATOM 167 CG ASN A 22 47.731 63.294 40.224 1.00 30.13 C
171
+ ATOM 168 OD1 ASN A 22 47.856 62.467 41.067 1.00 27.22 O
172
+ ATOM 169 ND2 ASN A 22 46.871 64.251 40.316 1.00 29.94 N
173
+ ATOM 170 N GLU A 23 46.873 61.291 37.586 1.00 26.77 N
174
+ ATOM 171 CA GLU A 23 45.647 60.505 37.558 1.00 28.06 C
175
+ ATOM 172 C GLU A 23 44.938 60.439 36.214 1.00 26.24 C
176
+ ATOM 173 O GLU A 23 44.812 61.436 35.503 1.00 24.29 O
177
+ ATOM 174 CB GLU A 23 44.673 61.011 38.628 1.00 28.02 C
178
+ ATOM 175 CG GLU A 23 44.260 59.955 39.641 1.00 34.98 C
179
+ ATOM 176 CD GLU A 23 43.571 60.550 40.853 1.00 40.64 C
180
+ ATOM 177 OE1 GLU A 23 43.421 61.789 40.905 1.00 42.13 O
181
+ ATOM 178 OE2 GLU A 23 43.181 59.779 41.754 1.00 45.11 O
182
+ ATOM 179 N LEU A 24 44.466 59.241 35.891 1.00 25.85 N
183
+ ATOM 180 CA LEU A 24 43.611 59.026 34.776 1.00 25.82 C
184
+ ATOM 181 C LEU A 24 42.154 58.917 35.155 1.00 26.73 C
185
+ ATOM 182 O LEU A 24 41.720 58.044 35.809 1.00 27.50 O
186
+ ATOM 183 CB LEU A 24 44.074 57.865 33.931 1.00 26.16 C
187
+ ATOM 184 CG LEU A 24 43.509 57.789 32.546 1.00 28.80 C
188
+ ATOM 185 CD1 LEU A 24 44.101 58.796 31.641 1.00 32.82 C
189
+ ATOM 186 CD2 LEU A 24 43.655 56.471 32.024 1.00 31.79 C
190
+ ATOM 187 N ASN A 25 41.414 59.860 34.672 1.00 27.89 N
191
+ ATOM 188 CA ASN A 25 40.101 60.129 35.111 1.00 28.36 C
192
+ ATOM 189 C ASN A 25 39.159 59.749 33.992 1.00 27.02 C
193
+ ATOM 190 O ASN A 25 39.091 60.453 32.984 1.00 26.20 O
194
+ ATOM 191 CB ASN A 25 40.083 61.627 35.268 1.00 29.20 C
195
+ ATOM 192 CG ASN A 25 39.217 62.077 36.366 1.00 36.93 C
196
+ ATOM 193 OD1 ASN A 25 37.956 61.967 36.308 1.00 38.47 O
197
+ ATOM 194 ND2 ASN A 25 39.873 62.609 37.417 1.00 42.39 N
198
+ ATOM 195 N THR A 26 38.422 58.668 34.165 1.00 25.20 N
199
+ ATOM 196 CA THR A 26 37.620 58.114 33.075 1.00 25.26 C
200
+ ATOM 197 C THR A 26 36.247 58.786 32.895 1.00 26.56 C
201
+ ATOM 198 O THR A 26 35.683 58.709 31.806 1.00 27.39 O
202
+ ATOM 199 CB THR A 26 37.421 56.586 33.209 1.00 24.98 C
203
+ ATOM 200 OG1 THR A 26 36.696 56.314 34.418 1.00 22.83 O
204
+ ATOM 201 CG2 THR A 26 38.761 55.891 33.311 1.00 24.14 C
205
+ ATOM 202 N MET A 27 35.673 59.367 33.940 1.00 26.09 N
206
+ ATOM 203 CA MET A 27 34.456 60.156 33.767 1.00 27.76 C
207
+ ATOM 204 C MET A 27 34.697 61.533 34.378 1.00 27.40 C
208
+ ATOM 205 O MET A 27 34.412 61.774 35.546 1.00 28.04 O
209
+ ATOM 206 CB MET A 27 33.176 59.470 34.309 1.00 28.61 C
210
+ ATOM 207 CG MET A 27 31.832 60.208 33.830 1.00 31.00 C
211
+ ATOM 208 SD MET A 27 31.676 60.671 32.033 1.00 31.72 S
212
+ ATOM 209 CE MET A 27 31.075 59.060 31.391 1.00 22.66 C
213
+ ATOM 210 N PRO A 28 35.339 62.416 33.606 1.00 27.44 N
214
+ ATOM 211 CA PRO A 28 35.700 63.706 34.210 1.00 25.98 C
215
+ ATOM 212 C PRO A 28 34.457 64.595 34.377 1.00 25.94 C
216
+ ATOM 213 O PRO A 28 33.401 64.335 33.788 1.00 23.90 O
217
+ ATOM 214 CB PRO A 28 36.709 64.284 33.169 1.00 26.89 C
218
+ ATOM 215 CG PRO A 28 36.181 63.757 31.841 1.00 25.81 C
219
+ ATOM 216 CD PRO A 28 35.846 62.289 32.205 1.00 26.41 C
220
+ ATOM 217 N GLY A 29 34.549 65.595 35.237 1.00 26.36 N
221
+ ATOM 218 CA GLY A 29 33.504 66.583 35.343 1.00 27.43 C
222
+ ATOM 219 C GLY A 29 33.168 67.188 34.003 1.00 29.26 C
223
+ ATOM 220 O GLY A 29 34.065 67.389 33.133 1.00 27.73 O
224
+ TER 221 GLY A 29
225
+ END
motif_pdbs/4DOX_PS00418_c1.pdb ADDED
@@ -0,0 +1,129 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A137-152 -> A1-16
4
+ ATOM 1 N LYS A 1 -18.646 -14.668 -2.224 1.00 46.98 N
5
+ ATOM 2 CA LYS A 1 -18.923 -14.322 -3.597 1.00 44.43 C
6
+ ATOM 3 C LYS A 1 -19.526 -12.949 -3.850 1.00 42.65 C
7
+ ATOM 4 O LYS A 1 -19.163 -12.264 -4.798 1.00 41.07 O
8
+ ATOM 5 CB LYS A 1 -20.049 -15.213 -3.970 1.00 44.76 C
9
+ ATOM 6 CG LYS A 1 -19.780 -16.249 -4.863 1.00 46.20 C
10
+ ATOM 7 CD LYS A 1 -20.988 -16.335 -5.698 1.00 46.08 C
11
+ ATOM 8 CE LYS A 1 -22.018 -17.239 -5.179 1.00 49.65 C
12
+ ATOM 9 NZ LYS A 1 -21.491 -18.583 -5.310 1.00 56.71 N
13
+ ATOM 10 N PHE A 2 -20.506 -12.602 -3.015 1.00 41.48 N
14
+ ATOM 11 CA PHE A 2 -21.343 -11.432 -3.173 1.00 38.69 C
15
+ ATOM 12 C PHE A 2 -20.640 -10.188 -2.693 1.00 37.11 C
16
+ ATOM 13 O PHE A 2 -21.179 -9.108 -2.760 1.00 34.88 O
17
+ ATOM 14 CB PHE A 2 -22.698 -11.663 -2.510 1.00 39.10 C
18
+ ATOM 15 CG PHE A 2 -23.553 -12.599 -3.274 1.00 40.13 C
19
+ ATOM 16 CD1 PHE A 2 -23.791 -13.904 -2.832 1.00 41.25 C
20
+ ATOM 17 CD2 PHE A 2 -24.067 -12.205 -4.497 1.00 38.17 C
21
+ ATOM 18 CE1 PHE A 2 -24.561 -14.776 -3.596 1.00 41.01 C
22
+ ATOM 19 CE2 PHE A 2 -24.825 -13.065 -5.259 1.00 38.52 C
23
+ ATOM 20 CZ PHE A 2 -25.080 -14.353 -4.805 1.00 39.59 C
24
+ ATOM 21 N ALA A 3 -19.407 -10.379 -2.244 1.00 37.02 N
25
+ ATOM 22 CA ALA A 3 -18.523 -9.319 -1.812 1.00 35.89 C
26
+ ATOM 23 C ALA A 3 -17.541 -8.913 -2.922 1.00 35.00 C
27
+ ATOM 24 O ALA A 3 -16.778 -7.971 -2.768 1.00 32.99 O
28
+ ATOM 25 CB ALA A 3 -17.779 -9.786 -0.614 1.00 37.63 C
29
+ ATOM 26 N ALA A 4 -17.557 -9.640 -4.043 1.00 35.84 N
30
+ ATOM 27 CA ALA A 4 -16.448 -9.505 -5.035 1.00 36.09 C
31
+ ATOM 28 C ALA A 4 -16.685 -8.371 -6.055 1.00 34.28 C
32
+ ATOM 29 O ALA A 4 -16.565 -8.574 -7.280 1.00 34.14 O
33
+ ATOM 30 CB ALA A 4 -16.114 -10.848 -5.721 1.00 35.60 C
34
+ ATOM 31 N PHE A 5 -17.070 -7.206 -5.543 1.00 32.18 N
35
+ ATOM 32 CA PHE A 5 -17.070 -6.020 -6.365 1.00 30.79 C
36
+ ATOM 33 C PHE A 5 -16.307 -4.930 -5.677 1.00 31.44 C
37
+ ATOM 34 O PHE A 5 -16.218 -4.900 -4.426 1.00 32.18 O
38
+ ATOM 35 CB PHE A 5 -18.465 -5.573 -6.825 1.00 29.61 C
39
+ ATOM 36 CG PHE A 5 -19.452 -5.277 -5.725 1.00 28.03 C
40
+ ATOM 37 CD1 PHE A 5 -19.940 -3.978 -5.552 1.00 25.66 C
41
+ ATOM 38 CD2 PHE A 5 -19.986 -6.307 -4.920 1.00 27.10 C
42
+ ATOM 39 CE1 PHE A 5 -20.892 -3.703 -4.525 1.00 24.50 C
43
+ ATOM 40 CE2 PHE A 5 -20.924 -6.035 -3.927 1.00 23.89 C
44
+ ATOM 41 CZ PHE A 5 -21.383 -4.745 -3.730 1.00 23.48 C
45
+ ATOM 42 N ASP A 6 -15.723 -4.045 -6.486 1.00 30.65 N
46
+ ATOM 43 CA ASP A 6 -14.785 -3.088 -5.949 1.00 31.01 C
47
+ ATOM 44 C ASP A 6 -15.372 -1.858 -5.281 1.00 30.94 C
48
+ ATOM 45 O ASP A 6 -14.618 -0.955 -4.937 1.00 32.51 O
49
+ ATOM 46 CB ASP A 6 -13.722 -2.702 -6.978 1.00 31.51 C
50
+ ATOM 47 CG ASP A 6 -14.275 -1.895 -8.147 1.00 30.91 C
51
+ ATOM 48 OD1 ASP A 6 -15.409 -1.369 -8.074 1.00 29.61 O
52
+ ATOM 49 OD2 ASP A 6 -13.546 -1.767 -9.152 1.00 30.50 O
53
+ ATOM 50 N PHE A 7 -16.685 -1.797 -5.088 1.00 29.92 N
54
+ ATOM 51 CA PHE A 7 -17.266 -0.724 -4.284 1.00 29.52 C
55
+ ATOM 52 C PHE A 7 -18.231 -1.301 -3.275 1.00 30.16 C
56
+ ATOM 53 O PHE A 7 -19.256 -0.682 -2.925 1.00 30.07 O
57
+ ATOM 54 CB PHE A 7 -17.953 0.331 -5.153 1.00 28.14 C
58
+ ATOM 55 CG PHE A 7 -18.949 -0.230 -6.117 1.00 27.81 C
59
+ ATOM 56 CD1 PHE A 7 -18.520 -0.877 -7.290 1.00 26.47 C
60
+ ATOM 57 CD2 PHE A 7 -20.326 -0.096 -5.874 1.00 26.80 C
61
+ ATOM 58 CE1 PHE A 7 -19.455 -1.383 -8.231 1.00 26.79 C
62
+ ATOM 59 CE2 PHE A 7 -21.281 -0.609 -6.794 1.00 26.79 C
63
+ ATOM 60 CZ PHE A 7 -20.846 -1.260 -7.978 1.00 26.06 C
64
+ ATOM 61 N PHE A 8 -17.909 -2.505 -2.829 1.00 31.18 N
65
+ ATOM 62 CA PHE A 8 -18.663 -3.162 -1.813 1.00 32.54 C
66
+ ATOM 63 C PHE A 8 -18.686 -2.289 -0.567 1.00 34.02 C
67
+ ATOM 64 O PHE A 8 -19.681 -2.325 0.186 1.00 35.44 O
68
+ ATOM 65 CB PHE A 8 -18.023 -4.511 -1.543 1.00 33.62 C
69
+ ATOM 66 CG PHE A 8 -18.394 -5.137 -0.217 1.00 36.14 C
70
+ ATOM 67 CD1 PHE A 8 -19.574 -5.899 -0.083 1.00 37.44 C
71
+ ATOM 68 CD2 PHE A 8 -17.551 -5.007 0.891 1.00 36.65 C
72
+ ATOM 69 CE1 PHE A 8 -19.910 -6.503 1.127 1.00 37.91 C
73
+ ATOM 70 CE2 PHE A 8 -17.879 -5.602 2.115 1.00 38.59 C
74
+ ATOM 71 CZ PHE A 8 -19.055 -6.350 2.237 1.00 40.32 C
75
+ ATOM 72 N ASP A 9 -17.622 -1.497 -0.344 1.00 34.37 N
76
+ ATOM 73 CA ASP A 9 -17.504 -0.678 0.885 1.00 35.17 C
77
+ ATOM 74 C ASP A 9 -18.552 0.389 0.962 1.00 33.83 C
78
+ ATOM 75 O ASP A 9 -18.620 1.115 1.956 1.00 34.21 O
79
+ ATOM 76 CB ASP A 9 -16.120 0.009 1.045 1.00 36.92 C
80
+ ATOM 77 CG ASP A 9 -15.587 0.651 -0.256 1.00 39.29 C
81
+ ATOM 78 OD1 ASP A 9 -14.347 0.875 -0.275 1.00 42.59 O
82
+ ATOM 79 OD2 ASP A 9 -16.361 0.903 -1.245 1.00 39.05 O
83
+ ATOM 80 N GLY A 10 -19.345 0.496 -0.099 1.00 32.27 N
84
+ ATOM 81 CA GLY A 10 -20.420 1.469 -0.170 1.00 31.48 C
85
+ ATOM 82 C GLY A 10 -21.704 0.912 0.406 1.00 31.73 C
86
+ ATOM 83 O GLY A 10 -22.609 1.694 0.757 1.00 31.69 O
87
+ ATOM 84 N VAL A 11 -21.792 -0.423 0.515 1.00 31.48 N
88
+ ATOM 85 CA VAL A 11 -23.065 -1.080 0.889 1.00 32.02 C
89
+ ATOM 86 C VAL A 11 -23.617 -0.636 2.257 1.00 33.41 C
90
+ ATOM 87 O VAL A 11 -24.832 -0.380 2.420 1.00 32.52 O
91
+ ATOM 88 CB VAL A 11 -22.983 -2.606 0.839 1.00 32.34 C
92
+ ATOM 89 CG1 VAL A 11 -24.218 -3.234 1.471 1.00 32.32 C
93
+ ATOM 90 CG2 VAL A 11 -22.835 -3.104 -0.609 1.00 31.70 C
94
+ ATOM 91 N GLU A 12 -22.713 -0.537 3.229 1.00 34.64 N
95
+ ATOM 92 CA GLU A 12 -23.111 -0.158 4.563 1.00 36.23 C
96
+ ATOM 93 C GLU A 12 -22.808 1.299 4.851 1.00 35.56 C
97
+ ATOM 94 O GLU A 12 -22.808 1.693 6.006 1.00 36.59 O
98
+ ATOM 95 CB GLU A 12 -22.481 -1.085 5.607 1.00 37.91 C
99
+ ATOM 96 CG GLU A 12 -22.942 -2.549 5.492 1.00 41.54 C
100
+ ATOM 97 CD GLU A 12 -22.310 -3.506 6.550 1.00 47.51 C
101
+ ATOM 98 OE1 GLU A 12 -21.061 -3.691 6.606 1.00 49.42 O
102
+ ATOM 99 OE2 GLU A 12 -23.090 -4.118 7.312 1.00 50.68 O
103
+ ATOM 100 N ASN A 13 -22.565 2.099 3.813 1.00 33.81 N
104
+ ATOM 101 CA ASN A 13 -22.420 3.525 4.005 1.00 33.47 C
105
+ ATOM 102 C ASN A 13 -23.794 4.226 4.087 1.00 34.22 C
106
+ ATOM 103 O ASN A 13 -24.574 4.227 3.115 1.00 35.28 O
107
+ ATOM 104 CB ASN A 13 -21.581 4.095 2.887 1.00 32.56 C
108
+ ATOM 105 CG ASN A 13 -21.004 5.450 3.222 1.00 32.40 C
109
+ ATOM 106 OD1 ASN A 13 -21.731 6.368 3.607 1.00 32.58 O
110
+ ATOM 107 ND2 ASN A 13 -19.708 5.587 3.077 1.00 29.13 N
111
+ ATOM 108 N PRO A 14 -24.116 4.821 5.242 1.00 34.56 N
112
+ ATOM 109 CA PRO A 14 -25.435 5.491 5.390 1.00 34.22 C
113
+ ATOM 110 C PRO A 14 -25.660 6.728 4.488 1.00 33.51 C
114
+ ATOM 111 O PRO A 14 -26.807 7.146 4.289 1.00 33.62 O
115
+ ATOM 112 CB PRO A 14 -25.449 5.898 6.865 1.00 35.48 C
116
+ ATOM 113 CG PRO A 14 -23.969 5.966 7.250 1.00 35.39 C
117
+ ATOM 114 CD PRO A 14 -23.273 4.932 6.450 1.00 34.80 C
118
+ ATOM 115 N ALA A 15 -24.578 7.312 3.967 1.00 32.73 N
119
+ ATOM 116 CA ALA A 15 -24.641 8.464 3.055 1.00 31.81 C
120
+ ATOM 117 C ALA A 15 -24.836 8.010 1.572 1.00 31.57 C
121
+ ATOM 118 O ALA A 15 -25.327 8.779 0.726 1.00 31.22 O
122
+ ATOM 119 CB ALA A 15 -23.397 9.310 3.211 1.00 30.76 C
123
+ ATOM 120 N ALA A 16 -24.465 6.762 1.273 1.00 30.81 N
124
+ ATOM 121 CA ALA A 16 -24.755 6.176 -0.023 1.00 30.46 C
125
+ ATOM 122 C ALA A 16 -26.265 6.109 -0.179 1.00 30.53 C
126
+ ATOM 123 O ALA A 16 -26.966 6.094 0.849 1.00 31.28 O
127
+ ATOM 124 CB ALA A 16 -24.148 4.765 -0.123 1.00 29.79 C
128
+ TER 125 ALA A 16
129
+ END
motif_pdbs/4KRX_PS01173_c2.pdb ADDED
@@ -0,0 +1,138 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 C87-103 -> A1-17
4
+ ATOM 1 N LEU A 1 -78.579 -77.454 -13.486 1.00 21.30 N
5
+ ATOM 2 CA LEU A 1 -77.719 -78.251 -12.635 1.00 22.26 C
6
+ ATOM 3 C LEU A 1 -78.549 -79.140 -11.758 1.00 21.44 C
7
+ ATOM 4 O LEU A 1 -79.438 -78.612 -11.060 1.00 24.53 O
8
+ ATOM 5 CB LEU A 1 -76.933 -77.317 -11.730 1.00 25.26 C
9
+ ATOM 6 CG LEU A 1 -75.540 -76.886 -12.056 1.00 28.67 C
10
+ ATOM 7 CD1 LEU A 1 -75.116 -75.838 -11.031 1.00 32.69 C
11
+ ATOM 8 CD2 LEU A 1 -74.598 -78.080 -12.058 1.00 29.59 C
12
+ ATOM 9 N PHE A 2 -78.252 -80.433 -11.751 1.00 19.07 N
13
+ ATOM 10 CA PHE A 2 -78.919 -81.369 -10.902 1.00 20.26 C
14
+ ATOM 11 C PHE A 2 -78.108 -81.559 -9.635 1.00 19.78 C
15
+ ATOM 12 O PHE A 2 -76.883 -81.769 -9.697 1.00 21.31 O
16
+ ATOM 13 CB PHE A 2 -79.151 -82.671 -11.599 1.00 20.07 C
17
+ ATOM 14 CG PHE A 2 -80.105 -82.525 -12.752 1.00 22.52 C
18
+ ATOM 15 CD1 PHE A 2 -81.477 -82.594 -12.539 1.00 21.21 C
19
+ ATOM 16 CD2 PHE A 2 -79.638 -82.234 -14.016 1.00 23.13 C
20
+ ATOM 17 CE1 PHE A 2 -82.358 -82.383 -13.575 1.00 23.32 C
21
+ ATOM 18 CE2 PHE A 2 -80.512 -82.081 -15.065 1.00 22.98 C
22
+ ATOM 19 CZ PHE A 2 -81.861 -82.161 -14.863 1.00 23.07 C
23
+ ATOM 20 N TYR A 3 -78.799 -81.496 -8.512 1.00 20.62 N
24
+ ATOM 21 CA TYR A 3 -78.113 -81.531 -7.206 1.00 19.80 C
25
+ ATOM 22 C TYR A 3 -78.494 -82.788 -6.471 1.00 20.61 C
26
+ ATOM 23 O TYR A 3 -79.694 -83.062 -6.257 1.00 22.80 O
27
+ ATOM 24 CB TYR A 3 -78.405 -80.305 -6.345 1.00 20.36 C
28
+ ATOM 25 CG TYR A 3 -77.407 -80.295 -5.191 1.00 19.32 C
29
+ ATOM 26 CD1 TYR A 3 -76.170 -79.707 -5.343 1.00 18.87 C
30
+ ATOM 27 CD2 TYR A 3 -77.665 -80.949 -4.031 1.00 20.21 C
31
+ ATOM 28 CE1 TYR A 3 -75.229 -79.747 -4.312 1.00 18.25 C
32
+ ATOM 29 CE2 TYR A 3 -76.710 -80.998 -2.980 1.00 18.72 C
33
+ ATOM 30 CZ TYR A 3 -75.525 -80.385 -3.146 1.00 18.39 C
34
+ ATOM 31 OH TYR A 3 -74.501 -80.440 -2.233 1.00 20.09 O
35
+ ATOM 32 N LEU A 4 -77.477 -83.542 -6.035 1.00 21.03 N
36
+ ATOM 33 CA LEU A 4 -77.662 -84.758 -5.310 1.00 19.59 C
37
+ ATOM 34 C LEU A 4 -77.109 -84.604 -3.916 1.00 18.89 C
38
+ ATOM 35 O LEU A 4 -75.918 -84.451 -3.688 1.00 19.29 O
39
+ ATOM 36 CB LEU A 4 -76.951 -85.906 -5.958 1.00 20.13 C
40
+ ATOM 37 CG LEU A 4 -77.409 -86.264 -7.382 1.00 21.83 C
41
+ ATOM 38 CD1 LEU A 4 -78.919 -86.159 -7.517 1.00 23.60 C
42
+ ATOM 39 CD2 LEU A 4 -76.692 -85.429 -8.362 1.00 21.24 C
43
+ ATOM 40 N HIS A 5 -77.984 -84.712 -2.948 1.00 20.75 N
44
+ ATOM 41 CA HIS A 5 -77.564 -84.482 -1.588 1.00 19.43 C
45
+ ATOM 42 C HIS A 5 -76.799 -85.607 -0.972 1.00 21.70 C
46
+ ATOM 43 O HIS A 5 -76.984 -86.749 -1.285 1.00 24.29 O
47
+ ATOM 44 CB HIS A 5 -78.823 -84.154 -0.742 1.00 22.88 C
48
+ ATOM 45 CG HIS A 5 -79.682 -85.343 -0.468 1.00 21.84 C
49
+ ATOM 46 ND1 HIS A 5 -79.427 -86.224 0.575 1.00 21.25 N
50
+ ATOM 47 CD2 HIS A 5 -80.781 -85.813 -1.106 1.00 22.43 C
51
+ ATOM 48 CE1 HIS A 5 -80.355 -87.173 0.570 1.00 21.44 C
52
+ ATOM 49 NE2 HIS A 5 -81.189 -86.937 -0.423 1.00 24.04 N
53
+ ATOM 50 N GLY A 6 -75.942 -85.265 -0.027 1.00 20.41 N
54
+ ATOM 51 CA GLY A 6 -75.294 -86.204 0.818 1.00 21.12 C
55
+ ATOM 52 C GLY A 6 -76.121 -86.680 2.023 1.00 21.52 C
56
+ ATOM 53 O GLY A 6 -77.276 -86.386 2.143 1.00 22.68 O
57
+ ATOM 54 N GLY A 7 -75.452 -87.356 2.911 1.00 23.93 N
58
+ ATOM 55 CA GLY A 7 -76.053 -88.022 4.076 1.00 24.81 C
59
+ ATOM 56 C GLY A 7 -75.796 -89.516 4.159 1.00 24.49 C
60
+ ATOM 57 O GLY A 7 -76.635 -90.235 4.745 1.00 24.14 O
61
+ ATOM 58 N GLY A 8 -74.662 -90.002 3.570 1.00 23.33 N
62
+ ATOM 59 CA GLY A 8 -74.191 -91.373 3.646 1.00 25.02 C
63
+ ATOM 60 C GLY A 8 -75.122 -92.421 3.053 1.00 25.92 C
64
+ ATOM 61 O GLY A 8 -75.043 -93.576 3.435 1.00 27.46 O
65
+ ATOM 62 N PHE A 9 -75.935 -91.996 2.067 1.00 23.71 N
66
+ ATOM 63 CA PHE A 9 -76.938 -92.780 1.386 1.00 26.74 C
67
+ ATOM 64 C PHE A 9 -78.164 -93.061 2.278 1.00 27.05 C
68
+ ATOM 65 O PHE A 9 -79.192 -93.468 1.768 1.00 26.61 O
69
+ ATOM 66 CB PHE A 9 -76.414 -94.078 0.799 1.00 28.12 C
70
+ ATOM 67 CG PHE A 9 -75.186 -93.931 -0.081 1.00 31.00 C
71
+ ATOM 68 CD1 PHE A 9 -75.311 -93.531 -1.372 1.00 29.70 C
72
+ ATOM 69 CD2 PHE A 9 -73.915 -94.213 0.431 1.00 32.04 C
73
+ ATOM 70 CE1 PHE A 9 -74.191 -93.353 -2.170 1.00 29.04 C
74
+ ATOM 71 CE2 PHE A 9 -72.787 -94.046 -0.361 1.00 36.71 C
75
+ ATOM 72 CZ PHE A 9 -72.957 -93.633 -1.677 1.00 31.71 C
76
+ ATOM 73 N ILE A 10 -78.080 -92.817 3.583 1.00 27.41 N
77
+ ATOM 74 CA ILE A 10 -79.190 -93.246 4.467 1.00 26.98 C
78
+ ATOM 75 C ILE A 10 -80.006 -92.111 5.095 1.00 28.89 C
79
+ ATOM 76 O ILE A 10 -81.121 -92.325 5.575 1.00 28.62 O
80
+ ATOM 77 CB ILE A 10 -78.678 -94.215 5.545 1.00 31.73 C
81
+ ATOM 78 CG1 ILE A 10 -77.775 -93.539 6.561 1.00 35.67 C
82
+ ATOM 79 CG2 ILE A 10 -77.966 -95.394 4.911 1.00 30.94 C
83
+ ATOM 80 CD1 ILE A 10 -77.417 -94.461 7.730 1.00 41.92 C
84
+ ATOM 81 N LEU A 11 -79.457 -90.898 5.075 1.00 27.61 N
85
+ ATOM 82 CA LEU A 11 -80.085 -89.697 5.607 1.00 29.23 C
86
+ ATOM 83 C LEU A 11 -80.123 -88.613 4.556 1.00 27.11 C
87
+ ATOM 84 O LEU A 11 -79.392 -88.663 3.545 1.00 26.85 O
88
+ ATOM 85 CB LEU A 11 -79.273 -89.155 6.793 1.00 30.37 C
89
+ ATOM 86 CG LEU A 11 -79.024 -90.061 7.975 1.00 34.09 C
90
+ ATOM 87 CD1 LEU A 11 -78.110 -89.330 8.946 1.00 35.74 C
91
+ ATOM 88 CD2 LEU A 11 -80.338 -90.443 8.640 1.00 37.03 C
92
+ ATOM 89 N GLY A 12 -80.930 -87.606 4.819 1.00 25.58 N
93
+ ATOM 90 CA GLY A 12 -80.977 -86.408 4.025 1.00 25.74 C
94
+ ATOM 91 C GLY A 12 -82.087 -86.389 3.021 1.00 24.38 C
95
+ ATOM 92 O GLY A 12 -82.730 -87.410 2.759 1.00 25.62 O
96
+ ATOM 93 N ASN A 13 -82.378 -85.194 2.537 1.00 24.11 N
97
+ ATOM 94 CA ASN A 13 -83.533 -84.927 1.670 1.00 25.22 C
98
+ ATOM 95 C ASN A 13 -83.414 -83.536 1.072 1.00 25.06 C
99
+ ATOM 96 O ASN A 13 -82.372 -82.858 1.249 1.00 26.63 O
100
+ ATOM 97 CB ASN A 13 -84.858 -85.051 2.466 1.00 26.55 C
101
+ ATOM 98 CG ASN A 13 -84.851 -84.234 3.744 1.00 27.55 C
102
+ ATOM 99 OD1 ASN A 13 -84.683 -83.015 3.742 1.00 24.31 O
103
+ ATOM 100 ND2 ASN A 13 -84.974 -84.932 4.864 1.00 28.82 N
104
+ ATOM 101 N LEU A 14 -84.460 -83.039 0.423 1.00 26.29 N
105
+ ATOM 102 CA LEU A 14 -84.328 -81.752 -0.241 1.00 26.06 C
106
+ ATOM 103 C LEU A 14 -84.311 -80.556 0.735 1.00 26.77 C
107
+ ATOM 104 O LEU A 14 -83.758 -79.518 0.428 1.00 28.65 O
108
+ ATOM 105 CB LEU A 14 -85.394 -81.596 -1.295 1.00 29.32 C
109
+ ATOM 106 CG LEU A 14 -85.344 -82.591 -2.419 1.00 31.10 C
110
+ ATOM 107 CD1 LEU A 14 -86.604 -82.480 -3.264 1.00 34.24 C
111
+ ATOM 108 CD2 LEU A 14 -84.112 -82.448 -3.317 1.00 32.88 C
112
+ ATOM 109 N ASP A 15 -84.860 -80.741 1.932 1.00 26.84 N
113
+ ATOM 110 CA ASP A 15 -84.870 -79.696 2.968 1.00 26.04 C
114
+ ATOM 111 C ASP A 15 -83.520 -79.546 3.682 1.00 22.73 C
115
+ ATOM 112 O ASP A 15 -83.084 -78.446 4.021 1.00 22.39 O
116
+ ATOM 113 CB ASP A 15 -86.007 -79.986 3.981 1.00 29.15 C
117
+ ATOM 114 CG ASP A 15 -87.391 -79.913 3.309 1.00 29.88 C
118
+ ATOM 115 OD1 ASP A 15 -87.690 -78.904 2.702 1.00 29.97 O
119
+ ATOM 116 OD2 ASP A 15 -88.182 -80.863 3.383 1.00 35.98 O
120
+ ATOM 117 N THR A 16 -82.864 -80.647 3.920 1.00 21.48 N
121
+ ATOM 118 CA THR A 16 -81.576 -80.633 4.597 1.00 23.31 C
122
+ ATOM 119 C THR A 16 -80.480 -79.925 3.756 1.00 21.91 C
123
+ ATOM 120 O THR A 16 -79.490 -79.452 4.308 1.00 21.18 O
124
+ ATOM 121 CB THR A 16 -81.072 -82.040 4.961 1.00 23.25 C
125
+ ATOM 122 OG1 THR A 16 -80.981 -82.841 3.808 1.00 21.78 O
126
+ ATOM 123 CG2 THR A 16 -81.993 -82.725 5.980 1.00 23.67 C
127
+ ATOM 124 N HIS A 17 -80.750 -79.782 2.475 1.00 19.87 N
128
+ ATOM 125 CA HIS A 17 -79.763 -79.159 1.531 1.00 21.46 C
129
+ ATOM 126 C HIS A 17 -80.335 -77.954 0.832 1.00 21.63 C
130
+ ATOM 127 O HIS A 17 -79.802 -77.480 -0.183 1.00 19.82 O
131
+ ATOM 128 CB HIS A 17 -79.253 -80.229 0.545 1.00 21.91 C
132
+ ATOM 129 CG HIS A 17 -78.346 -81.235 1.191 1.00 21.03 C
133
+ ATOM 130 ND1 HIS A 17 -78.767 -82.122 2.158 1.00 20.27 N
134
+ ATOM 131 CD2 HIS A 17 -77.026 -81.498 0.994 1.00 21.43 C
135
+ ATOM 132 CE1 HIS A 17 -77.757 -82.875 2.536 1.00 20.75 C
136
+ ATOM 133 NE2 HIS A 17 -76.677 -82.503 1.856 1.00 21.01 N
137
+ TER 134 HIS A 17
138
+ END
motif_pdbs/4M48_PS00754_c1.pdb ADDED
@@ -0,0 +1,182 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A134-154 -> A1-21
4
+ ATOM 1 N PHE A 1 -51.026 -2.130 73.340 1.00 79.93 N
5
+ ATOM 2 CA PHE A 1 -52.419 -1.707 73.324 1.00 80.06 C
6
+ ATOM 3 C PHE A 1 -53.345 -2.916 73.294 1.00 83.61 C
7
+ ATOM 4 O PHE A 1 -54.450 -2.876 73.834 1.00 82.33 O
8
+ ATOM 5 CB PHE A 1 -52.699 -0.806 72.123 1.00 78.31 C
9
+ ATOM 6 CG PHE A 1 -52.355 0.636 72.351 1.00 75.77 C
10
+ ATOM 7 CD1 PHE A 1 -53.270 1.495 72.936 1.00 71.28 C
11
+ ATOM 8 CD2 PHE A 1 -51.123 1.136 71.968 1.00 74.18 C
12
+ ATOM 9 CE1 PHE A 1 -52.961 2.823 73.140 1.00 67.25 C
13
+ ATOM 10 CE2 PHE A 1 -50.806 2.464 72.167 1.00 70.00 C
14
+ ATOM 11 CZ PHE A 1 -51.726 3.308 72.754 1.00 76.06 C
15
+ ATOM 12 N PHE A 2 -52.889 -3.990 72.657 1.00 85.13 N
16
+ ATOM 13 CA PHE A 2 -53.659 -5.224 72.613 1.00 84.59 C
17
+ ATOM 14 C PHE A 2 -53.795 -5.796 74.028 1.00 87.50 C
18
+ ATOM 15 O PHE A 2 -54.871 -6.253 74.421 1.00 85.49 O
19
+ ATOM 16 CB PHE A 2 -53.006 -6.227 71.657 1.00 80.68 C
20
+ ATOM 17 CG PHE A 2 -53.740 -7.534 71.546 1.00 80.32 C
21
+ ATOM 18 CD1 PHE A 2 -54.871 -7.644 70.757 1.00 82.51 C
22
+ ATOM 19 CD2 PHE A 2 -53.290 -8.656 72.222 1.00 80.91 C
23
+ ATOM 20 CE1 PHE A 2 -55.549 -8.848 70.652 1.00 81.74 C
24
+ ATOM 21 CE2 PHE A 2 -53.960 -9.859 72.122 1.00 79.37 C
25
+ ATOM 22 CZ PHE A 2 -55.092 -9.955 71.336 1.00 81.95 C
26
+ ATOM 23 N PHE A 3 -52.708 -5.741 74.795 1.00 83.54 N
27
+ ATOM 24 CA PHE A 3 -52.720 -6.196 76.185 1.00 82.12 C
28
+ ATOM 25 C PHE A 3 -53.486 -5.228 77.086 1.00 87.35 C
29
+ ATOM 26 O PHE A 3 -54.077 -5.633 78.087 1.00 94.31 O
30
+ ATOM 27 CB PHE A 3 -51.293 -6.390 76.711 1.00 82.82 C
31
+ ATOM 28 CG PHE A 3 -50.489 -7.400 75.934 1.00 90.56 C
32
+ ATOM 29 CD1 PHE A 3 -51.109 -8.484 75.325 1.00 91.20 C
33
+ ATOM 30 CD2 PHE A 3 -49.115 -7.262 75.803 1.00 86.28 C
34
+ ATOM 31 CE1 PHE A 3 -50.373 -9.412 74.603 1.00 88.81 C
35
+ ATOM 32 CE2 PHE A 3 -48.372 -8.188 75.081 1.00 86.97 C
36
+ ATOM 33 CZ PHE A 3 -49.001 -9.263 74.481 1.00 85.85 C
37
+ ATOM 34 N ALA A 4 -53.480 -3.948 76.725 1.00 88.57 N
38
+ ATOM 35 CA ALA A 4 -54.194 -2.931 77.491 1.00 83.68 C
39
+ ATOM 36 C ALA A 4 -55.702 -2.954 77.231 1.00 83.92 C
40
+ ATOM 37 O ALA A 4 -56.475 -2.373 77.991 1.00 85.60 O
41
+ ATOM 38 CB ALA A 4 -53.624 -1.548 77.201 1.00 76.49 C
42
+ ATOM 39 N SER A 5 -56.116 -3.628 76.162 1.00 82.95 N
43
+ ATOM 40 CA SER A 5 -57.526 -3.679 75.795 1.00 79.71 C
44
+ ATOM 41 C SER A 5 -58.258 -4.848 76.441 1.00 83.31 C
45
+ ATOM 42 O SER A 5 -59.398 -5.144 76.085 1.00 84.44 O
46
+ ATOM 43 CB SER A 5 -57.692 -3.741 74.276 1.00 87.03 C
47
+ ATOM 44 OG SER A 5 -57.328 -2.513 73.674 1.00 88.51 O
48
+ ATOM 45 N PHE A 6 -57.602 -5.517 77.383 1.00 86.22 N
49
+ ATOM 46 CA PHE A 6 -58.266 -6.559 78.162 1.00 87.57 C
50
+ ATOM 47 C PHE A 6 -58.965 -5.956 79.376 1.00 87.83 C
51
+ ATOM 48 O PHE A 6 -58.658 -6.295 80.522 1.00 83.65 O
52
+ ATOM 49 CB PHE A 6 -57.277 -7.644 78.588 1.00 81.68 C
53
+ ATOM 50 CG PHE A 6 -56.768 -8.472 77.445 1.00 89.18 C
54
+ ATOM 51 CD1 PHE A 6 -57.591 -9.399 76.825 1.00 91.49 C
55
+ ATOM 52 CD2 PHE A 6 -55.469 -8.324 76.988 1.00 86.79 C
56
+ ATOM 53 CE1 PHE A 6 -57.128 -10.161 75.768 1.00 91.03 C
57
+ ATOM 54 CE2 PHE A 6 -54.999 -9.082 75.933 1.00 85.22 C
58
+ ATOM 55 CZ PHE A 6 -55.829 -10.002 75.321 1.00 84.91 C
59
+ ATOM 56 N THR A 7 -59.901 -5.052 79.105 1.00 78.97 N
60
+ ATOM 57 CA THR A 7 -60.647 -4.366 80.146 1.00 83.35 C
61
+ ATOM 58 C THR A 7 -62.062 -4.033 79.678 1.00 94.52 C
62
+ ATOM 59 O THR A 7 -62.352 -3.993 78.473 1.00 87.95 O
63
+ ATOM 60 CB THR A 7 -59.937 -3.073 80.606 1.00 87.60 C
64
+ ATOM 61 OG1 THR A 7 -60.813 -2.313 81.451 1.00 91.38 O
65
+ ATOM 62 CG2 THR A 7 -59.532 -2.237 79.412 1.00 84.26 C
66
+ ATOM 63 N ASN A 8 -62.939 -3.810 80.652 1.00 96.69 N
67
+ ATOM 64 CA ASN A 8 -64.344 -3.516 80.409 1.00 89.57 C
68
+ ATOM 65 C ASN A 8 -64.532 -2.043 80.053 1.00 88.80 C
69
+ ATOM 66 O ASN A 8 -65.517 -1.673 79.411 1.00 78.72 O
70
+ ATOM 67 CB ASN A 8 -65.165 -3.878 81.650 1.00 93.74 C
71
+ ATOM 68 CG ASN A 8 -64.637 -5.126 82.361 1.00112.08 C
72
+ ATOM 69 OD1 ASN A 8 -63.655 -5.064 83.108 1.00107.59 O
73
+ ATOM 70 ND2 ASN A 8 -65.299 -6.259 82.141 1.00114.90 N
74
+ ATOM 71 N SER A 9 -63.583 -1.212 80.486 1.00 91.00 N
75
+ ATOM 72 CA SER A 9 -63.524 0.193 80.092 1.00 92.52 C
76
+ ATOM 73 C SER A 9 -62.099 0.534 79.660 1.00 91.41 C
77
+ ATOM 74 O SER A 9 -61.164 0.484 80.469 1.00 83.30 O
78
+ ATOM 75 CB SER A 9 -63.957 1.109 81.240 1.00 89.09 C
79
+ ATOM 76 OG SER A 9 -63.123 0.938 82.374 1.00 92.42 O
80
+ ATOM 77 N LEU A 10 -61.945 0.870 78.381 1.00 85.64 N
81
+ ATOM 78 CA LEU A 10 -60.641 1.176 77.802 1.00 82.75 C
82
+ ATOM 79 C LEU A 10 -60.001 2.356 78.514 1.00 81.93 C
83
+ ATOM 80 O LEU A 10 -60.639 3.388 78.698 1.00 85.48 O
84
+ ATOM 81 CB LEU A 10 -60.778 1.461 76.307 1.00 85.15 C
85
+ ATOM 82 CG LEU A 10 -61.302 0.277 75.493 1.00 83.58 C
86
+ ATOM 83 CD1 LEU A 10 -61.590 0.677 74.055 1.00 82.02 C
87
+ ATOM 84 CD2 LEU A 10 -60.304 -0.865 75.546 1.00 81.01 C
88
+ ATOM 85 N PRO A 11 -58.730 2.202 78.914 1.00 74.61 N
89
+ ATOM 86 CA PRO A 11 -58.041 3.135 79.813 1.00 79.96 C
90
+ ATOM 87 C PRO A 11 -57.707 4.490 79.199 1.00 79.92 C
91
+ ATOM 88 O PRO A 11 -57.153 5.340 79.897 1.00 84.11 O
92
+ ATOM 89 CB PRO A 11 -56.750 2.389 80.163 1.00 79.29 C
93
+ ATOM 90 CG PRO A 11 -56.508 1.501 79.003 1.00 80.21 C
94
+ ATOM 91 CD PRO A 11 -57.869 1.072 78.528 1.00 78.91 C
95
+ ATOM 92 N TRP A 12 -58.036 4.693 77.928 1.00 77.24 N
96
+ ATOM 93 CA TRP A 12 -57.692 5.940 77.253 1.00 77.15 C
97
+ ATOM 94 C TRP A 12 -58.919 6.799 76.942 1.00 78.75 C
98
+ ATOM 95 O TRP A 12 -58.876 7.666 76.066 1.00 77.38 O
99
+ ATOM 96 CB TRP A 12 -56.886 5.662 75.977 1.00 70.15 C
100
+ ATOM 97 CG TRP A 12 -57.584 4.772 74.982 1.00 75.60 C
101
+ ATOM 98 CD1 TRP A 12 -58.572 5.132 74.103 1.00 75.19 C
102
+ ATOM 99 CD2 TRP A 12 -57.335 3.380 74.752 1.00 70.35 C
103
+ ATOM 100 NE1 TRP A 12 -58.956 4.048 73.352 1.00 71.82 N
104
+ ATOM 101 CE2 TRP A 12 -58.211 2.961 73.729 1.00 75.23 C
105
+ ATOM 102 CE3 TRP A 12 -56.459 2.448 75.312 1.00 72.36 C
106
+ ATOM 103 CZ2 TRP A 12 -58.233 1.651 73.257 1.00 75.20 C
107
+ ATOM 104 CZ3 TRP A 12 -56.484 1.149 74.842 1.00 74.05 C
108
+ ATOM 105 CH2 TRP A 12 -57.364 0.762 73.826 1.00 73.02 C
109
+ ATOM 106 N THR A 13 -60.006 6.563 77.670 1.00 73.28 N
110
+ ATOM 107 CA THR A 13 -61.250 7.289 77.439 1.00 73.94 C
111
+ ATOM 108 C THR A 13 -61.324 8.587 78.235 1.00 75.26 C
112
+ ATOM 109 O THR A 13 -61.676 9.634 77.697 1.00 74.16 O
113
+ ATOM 110 CB THR A 13 -62.477 6.442 77.821 1.00 79.76 C
114
+ ATOM 111 OG1 THR A 13 -62.408 6.095 79.211 1.00 95.88 O
115
+ ATOM 112 CG2 THR A 13 -62.523 5.180 77.004 1.00 80.38 C
116
+ ATOM 113 N SER A 14 -60.986 8.505 79.517 1.00 79.68 N
117
+ ATOM 114 CA SER A 14 -61.238 9.586 80.462 1.00 75.49 C
118
+ ATOM 115 C SER A 14 -60.058 10.533 80.623 1.00 74.75 C
119
+ ATOM 116 O SER A 14 -58.944 10.231 80.199 1.00 81.22 O
120
+ ATOM 117 CB SER A 14 -61.613 8.989 81.819 1.00 82.15 C
121
+ ATOM 118 OG SER A 14 -62.594 7.972 81.679 1.00 89.04 O
122
+ ATOM 119 N CYS A 15 -60.308 11.679 81.249 1.00 77.37 N
123
+ ATOM 120 CA CYS A 15 -59.254 12.656 81.508 1.00 71.99 C
124
+ ATOM 121 C CYS A 15 -58.970 12.775 83.002 1.00 72.44 C
125
+ ATOM 122 O CYS A 15 -58.205 13.640 83.423 1.00 73.63 O
126
+ ATOM 123 CB CYS A 15 -59.656 14.035 80.985 1.00 70.66 C
127
+ ATOM 124 SG CYS A 15 -59.648 14.190 79.206 1.00 82.19 S
128
+ ATOM 125 N ASN A 16 -59.585 11.911 83.804 1.00 77.35 N
129
+ ATOM 126 CA ASN A 16 -59.455 11.981 85.257 1.00 76.03 C
130
+ ATOM 127 C ASN A 16 -58.547 10.887 85.810 1.00 79.27 C
131
+ ATOM 128 O ASN A 16 -58.778 10.367 86.900 1.00 82.81 O
132
+ ATOM 129 CB ASN A 16 -60.838 11.930 85.911 1.00 75.94 C
133
+ ATOM 130 CG ASN A 16 -61.537 10.608 85.694 1.00 78.45 C
134
+ ATOM 131 OD1 ASN A 16 -61.201 9.854 84.782 1.00 73.69 O
135
+ ATOM 132 ND2 ASN A 16 -62.516 10.316 86.542 1.00 80.96 N
136
+ ATOM 133 N ASN A 17 -57.502 10.562 85.054 1.00 78.53 N
137
+ ATOM 134 CA ASN A 17 -56.533 9.561 85.476 1.00 76.25 C
138
+ ATOM 135 C ASN A 17 -55.262 10.200 86.003 1.00 73.20 C
139
+ ATOM 136 O ASN A 17 -55.062 11.408 85.873 1.00 75.30 O
140
+ ATOM 137 CB ASN A 17 -56.192 8.615 84.328 1.00 72.90 C
141
+ ATOM 138 CG ASN A 17 -57.407 7.894 83.788 1.00 74.96 C
142
+ ATOM 139 OD1 ASN A 17 -58.037 8.346 82.835 1.00 77.69 O
143
+ ATOM 140 ND2 ASN A 17 -57.739 6.761 84.393 1.00 77.71 N
144
+ ATOM 141 N ILE A 18 -54.404 9.372 86.591 1.00 74.78 N
145
+ ATOM 142 CA ILE A 18 -53.176 9.840 87.229 1.00 77.66 C
146
+ ATOM 143 C ILE A 18 -52.222 10.537 86.248 1.00 73.77 C
147
+ ATOM 144 O ILE A 18 -51.479 11.440 86.625 1.00 76.20 O
148
+ ATOM 145 CB ILE A 18 -52.451 8.677 87.960 1.00 75.54 C
149
+ ATOM 146 CG1 ILE A 18 -51.348 9.214 88.867 1.00 84.17 C
150
+ ATOM 147 CG2 ILE A 18 -51.880 7.675 86.973 1.00 75.58 C
151
+ ATOM 148 CD1 ILE A 18 -51.847 10.187 89.902 1.00 87.83 C
152
+ ATOM 149 N TRP A 19 -52.276 10.131 84.985 1.00 73.65 N
153
+ ATOM 150 CA TRP A 19 -51.348 10.614 83.974 1.00 69.93 C
154
+ ATOM 151 C TRP A 19 -51.870 11.825 83.200 1.00 74.13 C
155
+ ATOM 152 O TRP A 19 -51.288 12.216 82.191 1.00 78.46 O
156
+ ATOM 153 CB TRP A 19 -51.040 9.485 82.991 1.00 72.34 C
157
+ ATOM 154 CG TRP A 19 -52.266 8.944 82.327 1.00 70.82 C
158
+ ATOM 155 CD1 TRP A 19 -52.944 9.502 81.283 1.00 72.25 C
159
+ ATOM 156 CD2 TRP A 19 -52.966 7.741 82.663 1.00 69.36 C
160
+ ATOM 157 NE1 TRP A 19 -54.022 8.721 80.948 1.00 75.78 N
161
+ ATOM 158 CE2 TRP A 19 -54.057 7.633 81.779 1.00 74.35 C
162
+ ATOM 159 CE3 TRP A 19 -52.775 6.745 83.623 1.00 69.06 C
163
+ ATOM 160 CZ2 TRP A 19 -54.955 6.568 81.827 1.00 78.41 C
164
+ ATOM 161 CZ3 TRP A 19 -53.667 5.690 83.671 1.00 72.81 C
165
+ ATOM 162 CH2 TRP A 19 -54.744 5.610 82.779 1.00 77.22 C
166
+ ATOM 163 N ASN A 20 -52.964 12.417 83.662 1.00 75.11 N
167
+ ATOM 164 CA ASN A 20 -53.592 13.506 82.915 1.00 69.47 C
168
+ ATOM 165 C ASN A 20 -53.203 14.912 83.363 1.00 69.21 C
169
+ ATOM 166 O ASN A 20 -52.672 15.110 84.456 1.00 68.97 O
170
+ ATOM 167 CB ASN A 20 -55.110 13.359 82.932 1.00 71.85 C
171
+ ATOM 168 CG ASN A 20 -55.580 12.112 82.218 1.00 78.75 C
172
+ ATOM 169 OD1 ASN A 20 -56.339 11.316 82.768 1.00 82.94 O
173
+ ATOM 170 ND2 ASN A 20 -55.128 11.933 80.983 1.00 78.56 N
174
+ ATOM 171 N THR A 21 -53.477 15.883 82.497 1.00 67.09 N
175
+ ATOM 172 CA THR A 21 -53.170 17.283 82.759 1.00 72.08 C
176
+ ATOM 173 C THR A 21 -54.434 18.104 82.545 1.00 75.56 C
177
+ ATOM 174 O THR A 21 -55.360 17.650 81.870 1.00 77.15 O
178
+ ATOM 175 CB THR A 21 -52.085 17.801 81.792 1.00 70.83 C
179
+ ATOM 176 OG1 THR A 21 -52.624 17.868 80.466 1.00 72.14 O
180
+ ATOM 177 CG2 THR A 21 -50.855 16.893 81.812 1.00 62.60 C
181
+ TER 178 THR A 21
182
+ END
motif_pdbs/4MY2_PS01185_c1.pdb ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A1095-1096 -> A1-2
4
+ REMARK 4 A1110-1113 -> B1-4
5
+ REMARK 5 A1126-1131 -> C1-6
6
+ ATOM 1 N CYS A 1 -33.727 38.186 -47.943 1.00 30.95 N
7
+ ATOM 2 CA CYS A 1 -33.125 36.871 -47.881 1.00 31.96 C
8
+ ATOM 3 C CYS A 1 -34.199 35.866 -48.178 1.00 30.52 C
9
+ ATOM 4 O CYS A 1 -35.346 36.075 -47.865 1.00 29.77 O
10
+ ATOM 5 CB CYS A 1 -32.551 36.604 -46.484 1.00 34.52 C
11
+ ATOM 6 SG CYS A 1 -31.331 37.856 -45.977 1.00 40.62 S
12
+ ATOM 7 N CYS A 2 -33.819 34.772 -48.808 1.00 31.87 N
13
+ ATOM 8 CA CYS A 2 -34.755 33.743 -49.151 1.00 32.74 C
14
+ ATOM 9 C CYS A 2 -34.807 32.792 -47.970 1.00 33.15 C
15
+ ATOM 10 O CYS A 2 -33.817 32.125 -47.655 1.00 30.39 O
16
+ ATOM 11 CB CYS A 2 -34.298 33.038 -50.427 1.00 34.08 C
17
+ ATOM 12 SG CYS A 2 -35.400 31.723 -50.981 1.00 35.38 S
18
+ TER 13 CYS A 2
19
+ ATOM 13 N CYS B 1 -29.104 3.470 -31.555 1.00 53.96 N
20
+ ATOM 14 CA CYS B 1 -27.665 3.497 -31.347 1.00 56.05 C
21
+ ATOM 15 C CYS B 1 -27.139 2.249 -30.653 1.00 59.08 C
22
+ ATOM 16 O CYS B 1 -27.786 1.677 -29.776 1.00 61.86 O
23
+ ATOM 17 CB CYS B 1 -27.243 4.743 -30.564 1.00 56.37 C
24
+ ATOM 18 SG CYS B 1 -27.976 6.317 -31.099 1.00 54.45 S
25
+ ATOM 19 N SER B 2 -25.933 1.862 -31.043 1.00 61.72 N
26
+ ATOM 20 CA SER B 2 -25.225 0.754 -30.427 1.00 65.80 C
27
+ ATOM 21 C SER B 2 -24.249 1.284 -29.380 1.00 72.17 C
28
+ ATOM 22 O SER B 2 -23.200 1.827 -29.723 1.00 81.35 O
29
+ ATOM 23 CB SER B 2 -24.455 -0.034 -31.480 1.00 63.70 C
30
+ ATOM 24 OG SER B 2 -23.669 0.818 -32.293 1.00 55.16 O
31
+ ATOM 25 N GLY B 3 -24.585 1.140 -28.105 1.00 77.10 N
32
+ ATOM 26 CA GLY B 3 -25.839 0.536 -27.687 1.00 82.04 C
33
+ ATOM 27 C GLY B 3 -26.519 1.333 -26.591 1.00 85.15 C
34
+ ATOM 28 O GLY B 3 -27.228 0.766 -25.764 1.00 85.55 O
35
+ ATOM 29 N GLY B 4 -26.315 2.643 -26.585 1.00 91.84 N
36
+ ATOM 30 CA GLY B 4 -26.907 3.498 -25.582 1.00 95.83 C
37
+ ATOM 31 C GLY B 4 -26.905 4.907 -26.117 1.00 92.11 C
38
+ ATOM 32 O GLY B 4 -25.895 5.380 -26.600 1.00 77.78 O
39
+ TER 33 GLY B 4
40
+ ATOM 33 N CYS C 1 -41.093 29.029 -48.897 1.00 34.40 N
41
+ ATOM 34 CA CYS C 1 -40.071 30.043 -48.779 1.00 34.35 C
42
+ ATOM 35 C CYS C 1 -40.585 31.390 -49.267 1.00 34.23 C
43
+ ATOM 36 O CYS C 1 -41.505 31.457 -50.067 1.00 34.27 O
44
+ ATOM 37 CB CYS C 1 -38.855 29.638 -49.594 1.00 36.75 C
45
+ ATOM 38 SG CYS C 1 -38.143 28.046 -49.095 1.00 41.67 S
46
+ ATOM 39 N HIS C 2 -39.998 32.471 -48.775 1.00 33.39 N
47
+ ATOM 40 CA HIS C 2 -40.307 33.793 -49.292 1.00 33.31 C
48
+ ATOM 41 C HIS C 2 -39.117 34.687 -49.066 1.00 33.51 C
49
+ ATOM 42 O HIS C 2 -38.184 34.348 -48.333 1.00 34.42 O
50
+ ATOM 43 CB HIS C 2 -41.599 34.374 -48.681 1.00 34.85 C
51
+ ATOM 44 CG HIS C 2 -41.494 34.790 -47.236 1.00 36.96 C
52
+ ATOM 45 ND1 HIS C 2 -40.500 34.351 -46.381 1.00 38.86 N
53
+ ATOM 46 CD2 HIS C 2 -42.314 35.562 -46.480 1.00 38.85 C
54
+ ATOM 47 CE1 HIS C 2 -40.698 34.856 -45.174 1.00 38.09 C
55
+ ATOM 48 NE2 HIS C 2 -41.795 35.589 -45.206 1.00 37.03 N
56
+ ATOM 49 N CYS C 3 -39.134 35.839 -49.699 1.00 34.83 N
57
+ ATOM 50 CA CYS C 3 -38.055 36.778 -49.517 1.00 36.42 C
58
+ ATOM 51 C CYS C 3 -38.365 37.687 -48.351 1.00 36.61 C
59
+ ATOM 52 O CYS C 3 -39.270 38.497 -48.438 1.00 39.71 O
60
+ ATOM 53 CB CYS C 3 -37.806 37.586 -50.800 1.00 37.57 C
61
+ ATOM 54 SG CYS C 3 -36.730 36.704 -51.963 1.00 39.72 S
62
+ ATOM 55 N GLU C 4 -37.643 37.560 -47.244 1.00 37.65 N
63
+ ATOM 56 CA GLU C 4 -37.899 38.464 -46.119 1.00 38.97 C
64
+ ATOM 57 C GLU C 4 -36.690 39.272 -45.668 1.00 38.29 C
65
+ ATOM 58 O GLU C 4 -35.524 38.894 -45.850 1.00 37.67 O
66
+ ATOM 59 CB GLU C 4 -38.530 37.746 -44.916 1.00 41.33 C
67
+ ATOM 60 CG GLU C 4 -37.674 36.716 -44.187 1.00 45.36 C
68
+ ATOM 61 CD GLU C 4 -38.370 36.170 -42.931 1.00 49.68 C
69
+ ATOM 62 OE1 GLU C 4 -38.649 34.944 -42.831 1.00 51.88 O
70
+ ATOM 63 OE2 GLU C 4 -38.661 36.980 -42.030 1.00 53.78 O
71
+ ATOM 64 N GLU C 5 -37.001 40.397 -45.050 1.00 37.75 N
72
+ ATOM 65 CA GLU C 5 -36.002 41.227 -44.457 1.00 37.07 C
73
+ ATOM 66 C GLU C 5 -35.099 40.425 -43.517 1.00 34.83 C
74
+ ATOM 67 O GLU C 5 -35.566 39.593 -42.751 1.00 33.43 O
75
+ ATOM 68 CB GLU C 5 -36.684 42.390 -43.756 1.00 38.93 C
76
+ ATOM 69 CG GLU C 5 -35.816 43.615 -43.654 1.00 42.07 C
77
+ ATOM 70 CD GLU C 5 -35.565 44.293 -44.984 1.00 41.66 C
78
+ ATOM 71 OE1 GLU C 5 -36.511 44.822 -45.605 1.00 43.84 O
79
+ ATOM 72 OE2 GLU C 5 -34.404 44.320 -45.393 1.00 42.63 O
80
+ ATOM 73 N CYS C 6 -33.797 40.652 -43.679 1.00 36.76 N
81
+ ATOM 74 CA CYS C 6 -32.697 40.093 -42.874 1.00 40.01 C
82
+ ATOM 75 C CYS C 6 -32.773 40.244 -41.352 1.00 44.51 C
83
+ ATOM 76 O CYS C 6 -32.720 39.259 -40.606 1.00 43.81 O
84
+ ATOM 77 CB CYS C 6 -31.384 40.764 -43.292 1.00 38.98 C
85
+ ATOM 78 SG CYS C 6 -30.039 40.479 -42.111 1.00 40.90 S
86
+ TER 79 CYS C 6
87
+ END
motif_pdbs/5A39_PS00752_c1.pdb ADDED
@@ -0,0 +1,214 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A103-128 -> A1-26
4
+ ATOM 1 N CYS A 1 29.664 -22.205 5.163 1.00 49.46 N
5
+ ATOM 2 CA CYS A 1 28.922 -21.261 4.329 1.00 48.76 C
6
+ ATOM 3 C CYS A 1 28.760 -19.892 5.032 1.00 49.78 C
7
+ ATOM 4 O CYS A 1 28.363 -19.831 6.180 1.00 49.78 O
8
+ ATOM 5 CB CYS A 1 27.562 -21.878 3.863 1.00 46.83 C
9
+ ATOM 6 SG CYS A 1 26.217 -20.752 3.514 1.00 45.95 S
10
+ ATOM 7 N ILE A 2 29.096 -18.808 4.341 1.00 51.06 N
11
+ ATOM 8 CA ILE A 2 29.076 -17.489 4.941 1.00 52.80 C
12
+ ATOM 9 C ILE A 2 27.716 -16.933 5.269 1.00 52.29 C
13
+ ATOM 10 O ILE A 2 27.631 -16.013 6.046 1.00 53.63 O
14
+ ATOM 11 CB ILE A 2 29.760 -16.461 4.066 1.00 55.33 C
15
+ ATOM 12 CG1 ILE A 2 29.213 -16.552 2.637 1.00 56.23 C
16
+ ATOM 13 CG2 ILE A 2 31.238 -16.735 4.049 1.00 56.71 C
17
+ ATOM 14 CD1 ILE A 2 29.092 -15.227 1.890 1.00 58.77 C
18
+ ATOM 15 N GLU A 3 26.660 -17.451 4.680 1.00 51.35 N
19
+ ATOM 16 CA GLU A 3 25.336 -17.060 5.110 1.00 52.06 C
20
+ ATOM 17 C GLU A 3 24.928 -17.849 6.358 1.00 52.26 C
21
+ ATOM 18 O GLU A 3 24.653 -17.266 7.405 1.00 53.96 O
22
+ ATOM 19 CB GLU A 3 24.310 -17.285 4.013 1.00 52.05 C
23
+ ATOM 20 CG GLU A 3 24.416 -16.333 2.849 1.00 54.06 C
24
+ ATOM 21 CD GLU A 3 23.864 -14.947 3.151 1.00 56.99 C
25
+ ATOM 22 OE1 GLU A 3 23.185 -14.777 4.173 1.00 58.44 O
26
+ ATOM 23 OE2 GLU A 3 24.110 -14.009 2.368 1.00 59.26 O
27
+ ATOM 24 N CYS A 4 24.853 -19.175 6.254 1.00 51.06 N
28
+ ATOM 25 CA CYS A 4 24.281 -19.951 7.338 1.00 50.77 C
29
+ ATOM 26 C CYS A 4 25.278 -20.266 8.452 1.00 50.83 C
30
+ ATOM 27 O CYS A 4 24.886 -20.537 9.579 1.00 51.34 O
31
+ ATOM 28 CB CYS A 4 23.625 -21.218 6.814 1.00 50.16 C
32
+ ATOM 29 SG CYS A 4 24.645 -22.494 6.100 0.99 49.82 S
33
+ ATOM 30 N HIS A 5 26.564 -20.210 8.154 1.00 50.86 N
34
+ ATOM 31 CA HIS A 5 27.591 -20.572 9.126 1.00 51.96 C
35
+ ATOM 32 C HIS A 5 27.520 -22.011 9.638 1.00 51.17 C
36
+ ATOM 33 O HIS A 5 28.096 -22.318 10.682 1.00 53.08 O
37
+ ATOM 34 CB HIS A 5 27.516 -19.651 10.307 1.00 54.34 C
38
+ ATOM 35 CG HIS A 5 27.513 -18.209 9.936 1.00 56.71 C
39
+ ATOM 36 ND1 HIS A 5 28.569 -17.611 9.281 1.00 58.03 N
40
+ ATOM 37 CD2 HIS A 5 26.612 -17.225 10.184 1.00 58.75 C
41
+ ATOM 38 CE1 HIS A 5 28.306 -16.325 9.115 1.00 59.96 C
42
+ ATOM 39 NE2 HIS A 5 27.128 -16.060 9.665 1.00 60.21 N
43
+ ATOM 40 N ILE A 6 26.837 -22.896 8.907 1.00 48.95 N
44
+ ATOM 41 CA ILE A 6 26.533 -24.258 9.378 1.00 47.61 C
45
+ ATOM 42 C ILE A 6 26.998 -25.296 8.386 1.00 46.08 C
46
+ ATOM 43 O ILE A 6 27.702 -26.232 8.736 1.00 46.13 O
47
+ ATOM 44 CB ILE A 6 25.013 -24.427 9.600 1.00 47.30 C
48
+ ATOM 45 CG1 ILE A 6 24.576 -23.653 10.856 1.00 49.31 C
49
+ ATOM 46 CG2 ILE A 6 24.635 -25.893 9.753 1.00 46.78 C
50
+ ATOM 47 CD1 ILE A 6 23.107 -23.279 10.886 1.00 50.22 C
51
+ ATOM 48 N ASN A 7 26.567 -25.131 7.146 1.00 45.01 N
52
+ ATOM 49 CA ASN A 7 26.859 -26.090 6.107 1.00 44.25 C
53
+ ATOM 50 C ASN A 7 28.306 -26.027 5.703 1.00 44.95 C
54
+ ATOM 51 O ASN A 7 28.916 -24.957 5.744 1.00 45.51 O
55
+ ATOM 52 CB ASN A 7 25.944 -25.890 4.886 1.00 43.77 C
56
+ ATOM 53 CG ASN A 7 24.728 -26.799 4.920 1.00 43.61 C
57
+ ATOM 54 OD1 ASN A 7 24.798 -27.952 5.377 1.00 43.69 O
58
+ ATOM 55 ND2 ASN A 7 23.605 -26.303 4.412 1.00 44.15 N
59
+ ATOM 56 N ILE A 8 28.855 -27.188 5.325 1.00 45.12 N
60
+ ATOM 57 CA ILE A 8 30.212 -27.228 4.814 1.00 46.58 C
61
+ ATOM 58 C ILE A 8 30.312 -27.599 3.337 1.00 47.30 C
62
+ ATOM 59 O ILE A 8 31.352 -27.302 2.770 1.00 49.08 O
63
+ ATOM 60 CB ILE A 8 31.177 -28.068 5.638 1.00 48.00 C
64
+ ATOM 61 CG1 ILE A 8 30.685 -29.511 5.697 1.00 47.65 C
65
+ ATOM 62 CG2 ILE A 8 31.391 -27.430 7.001 1.00 48.54 C
66
+ ATOM 63 CD1 ILE A 8 31.771 -30.569 5.840 1.00 49.53 C
67
+ ATOM 64 N GLU A 9 29.278 -28.226 2.732 1.00 59.79 N
68
+ ATOM 65 CA GLU A 9 29.184 -28.430 1.259 1.00 59.21 C
69
+ ATOM 66 C GLU A 9 28.697 -27.192 0.545 1.00 55.77 C
70
+ ATOM 67 O GLU A 9 27.530 -26.833 0.670 1.00 54.49 O
71
+ ATOM 68 CB GLU A 9 28.146 -29.474 0.858 1.00 61.03 C
72
+ ATOM 69 CG GLU A 9 28.269 -30.839 1.472 1.00 65.42 C
73
+ ATOM 70 CD GLU A 9 29.563 -31.458 1.121 1.00 68.59 C
74
+ ATOM 71 OE1 GLU A 9 30.088 -31.046 0.071 1.00 67.85 O
75
+ ATOM 72 OE2 GLU A 9 30.031 -32.335 1.890 1.00 73.33 O
76
+ ATOM 73 N MET A 10 29.553 -26.587 -0.268 1.00 54.54 N
77
+ ATOM 74 CA MET A 10 29.186 -25.386 -0.951 1.00 52.03 C
78
+ ATOM 75 C MET A 10 28.511 -25.714 -2.256 1.00 51.16 C
79
+ ATOM 76 O MET A 10 28.623 -26.830 -2.758 1.00 52.55 O
80
+ ATOM 77 CB MET A 10 30.416 -24.533 -1.201 1.00 52.30 C
81
+ ATOM 78 CG MET A 10 31.190 -24.169 0.055 1.00 53.79 C
82
+ ATOM 79 SD MET A 10 30.123 -23.475 1.325 1.00 53.18 S
83
+ ATOM 80 CE MET A 10 31.194 -23.559 2.743 1.00 56.01 C
84
+ ATOM 81 N ASP A 11 27.811 -24.724 -2.804 1.00 49.16 N
85
+ ATOM 82 CA ASP A 11 27.201 -24.860 -4.102 1.00 48.78 C
86
+ ATOM 83 C ASP A 11 28.319 -24.951 -5.148 1.00 48.59 C
87
+ ATOM 84 O ASP A 11 29.186 -24.079 -5.205 1.00 48.21 O
88
+ ATOM 85 CB ASP A 11 26.319 -23.658 -4.380 1.00 47.74 C
89
+ ATOM 86 CG ASP A 11 25.603 -23.779 -5.725 1.00 48.67 C
90
+ ATOM 87 OD1 ASP A 11 24.805 -24.752 -5.907 1.00 50.33 O
91
+ ATOM 88 OD2 ASP A 11 25.835 -22.916 -6.605 1.00 48.22 O
92
+ ATOM 89 N PRO A 12 28.320 -25.985 -5.979 1.00 49.04 N
93
+ ATOM 90 CA PRO A 12 29.522 -26.103 -6.817 1.00 49.25 C
94
+ ATOM 91 C PRO A 12 29.703 -24.963 -7.812 1.00 47.87 C
95
+ ATOM 92 O PRO A 12 30.833 -24.560 -8.056 1.00 48.09 O
96
+ ATOM 93 CB PRO A 12 29.332 -27.412 -7.549 1.00 50.82 C
97
+ ATOM 94 CG PRO A 12 28.356 -28.170 -6.724 1.00 52.07 C
98
+ ATOM 95 CD PRO A 12 27.456 -27.156 -6.075 1.00 50.49 C
99
+ ATOM 96 N VAL A 13 28.626 -24.416 -8.370 1.00 46.93 N
100
+ ATOM 97 CA VAL A 13 28.787 -23.318 -9.327 1.00 45.93 C
101
+ ATOM 98 C VAL A 13 29.197 -22.009 -8.652 1.00 45.05 C
102
+ ATOM 99 O VAL A 13 30.046 -21.305 -9.149 1.00 44.91 O
103
+ ATOM 100 CB VAL A 13 27.499 -23.049 -10.104 1.00 46.14 C
104
+ ATOM 101 CG1 VAL A 13 27.508 -21.650 -10.656 1.00 45.82 C
105
+ ATOM 102 CG2 VAL A 13 27.329 -24.020 -11.243 1.00 47.22 C
106
+ ATOM 103 N LEU A 14 28.565 -21.671 -7.539 1.00 44.63 N
107
+ ATOM 104 CA LEU A 14 28.861 -20.418 -6.863 1.00 44.32 C
108
+ ATOM 105 C LEU A 14 30.253 -20.475 -6.273 1.00 45.00 C
109
+ ATOM 106 O LEU A 14 30.957 -19.461 -6.207 1.00 45.68 O
110
+ ATOM 107 CB LEU A 14 27.858 -20.134 -5.739 1.00 43.94 C
111
+ ATOM 108 CG LEU A 14 26.435 -19.688 -6.141 1.00 43.78 C
112
+ ATOM 109 CD1 LEU A 14 25.529 -19.853 -4.936 1.00 43.39 C
113
+ ATOM 110 CD2 LEU A 14 26.365 -18.273 -6.711 1.00 44.04 C
114
+ ATOM 111 N HIS A 15 30.648 -21.648 -5.807 1.00 45.49 N
115
+ ATOM 112 CA HIS A 15 31.974 -21.806 -5.292 1.00 46.62 C
116
+ ATOM 113 C HIS A 15 32.952 -21.722 -6.431 1.00 46.62 C
117
+ ATOM 114 O HIS A 15 33.787 -20.843 -6.464 1.00 47.17 O
118
+ ATOM 115 CB HIS A 15 32.098 -23.149 -4.593 1.00 47.99 C
119
+ ATOM 116 CG HIS A 15 33.449 -23.386 -3.991 1.00 50.24 C
120
+ ATOM 117 ND1 HIS A 15 34.472 -23.999 -4.687 1.00 51.69 N
121
+ ATOM 118 CD2 HIS A 15 33.958 -23.058 -2.778 1.00 51.49 C
122
+ ATOM 119 CE1 HIS A 15 35.541 -24.079 -3.910 1.00 53.93 C
123
+ ATOM 120 NE2 HIS A 15 35.254 -23.514 -2.749 1.00 54.02 N
124
+ ATOM 121 N ASP A 16 32.794 -22.601 -7.395 1.00 46.21 N
125
+ ATOM 122 CA ASP A 16 33.815 -22.778 -8.425 1.00 46.84 C
126
+ ATOM 123 C ASP A 16 33.934 -21.621 -9.377 1.00 46.01 C
127
+ ATOM 124 O ASP A 16 35.012 -21.143 -9.649 1.00 46.70 O
128
+ ATOM 125 CB ASP A 16 33.565 -24.053 -9.218 1.00 47.37 C
129
+ ATOM 126 CG ASP A 16 33.705 -25.322 -8.336 1.00 49.33 C
130
+ ATOM 127 OD1 ASP A 16 33.967 -25.166 -7.090 1.00 50.28 O
131
+ ATOM 128 OD2 ASP A 16 33.526 -26.458 -8.862 1.00 50.34 O
132
+ ATOM 129 N VAL A 17 32.809 -21.137 -9.839 1.00 44.89 N
133
+ ATOM 130 CA VAL A 17 32.785 -20.115 -10.856 1.00 44.75 C
134
+ ATOM 131 C VAL A 17 32.776 -18.682 -10.321 1.00 45.21 C
135
+ ATOM 132 O VAL A 17 33.370 -17.771 -10.943 1.00 46.44 O
136
+ ATOM 133 CB VAL A 17 31.524 -20.249 -11.717 1.00 44.29 C
137
+ ATOM 134 CG1 VAL A 17 31.619 -19.289 -12.903 1.00 44.81 C
138
+ ATOM 135 CG2 VAL A 17 31.319 -21.699 -12.174 1.00 44.26 C
139
+ ATOM 136 N PHE A 18 32.062 -18.462 -9.219 1.00 44.62 N
140
+ ATOM 137 CA PHE A 18 31.860 -17.139 -8.675 1.00 45.08 C
141
+ ATOM 138 C PHE A 18 32.659 -16.876 -7.405 1.00 46.13 C
142
+ ATOM 139 O PHE A 18 32.629 -15.756 -6.880 1.00 47.20 O
143
+ ATOM 140 CB PHE A 18 30.371 -16.949 -8.429 1.00 44.29 C
144
+ ATOM 141 CG PHE A 18 29.571 -16.982 -9.677 1.00 44.08 C
145
+ ATOM 142 CD1 PHE A 18 29.532 -15.887 -10.498 1.00 45.26 C
146
+ ATOM 143 CD2 PHE A 18 28.883 -18.089 -10.049 1.00 43.36 C
147
+ ATOM 144 CE1 PHE A 18 28.812 -15.900 -11.686 1.00 45.66 C
148
+ ATOM 145 CE2 PHE A 18 28.127 -18.099 -11.217 1.00 43.82 C
149
+ ATOM 146 CZ PHE A 18 28.104 -17.015 -12.045 1.00 44.91 C
150
+ ATOM 147 N LYS A 19 33.369 -17.895 -6.915 1.00 46.46 N
151
+ ATOM 148 CA LYS A 19 34.283 -17.760 -5.777 1.00 48.16 C
152
+ ATOM 149 C LYS A 19 33.545 -17.348 -4.547 1.00 48.08 C
153
+ ATOM 150 O LYS A 19 34.034 -16.494 -3.787 1.00 49.77 O
154
+ ATOM 151 CB LYS A 19 35.358 -16.689 -6.017 1.00 50.28 C
155
+ ATOM 152 CG LYS A 19 35.986 -16.677 -7.381 1.00 50.60 C
156
+ ATOM 153 CD LYS A 19 36.456 -18.053 -7.776 1.00 50.23 C
157
+ ATOM 154 CE LYS A 19 36.578 -18.111 -9.283 1.00 49.83 C
158
+ ATOM 155 NZ LYS A 19 37.548 -19.167 -9.723 1.00 50.50 N
159
+ ATOM 156 N LEU A 20 32.380 -17.932 -4.337 1.00 46.56 N
160
+ ATOM 157 CA LEU A 20 31.613 -17.631 -3.139 1.00 46.43 C
161
+ ATOM 158 C LEU A 20 31.499 -18.891 -2.275 1.00 46.55 C
162
+ ATOM 159 O LEU A 20 31.096 -19.945 -2.743 1.00 45.68 O
163
+ ATOM 160 CB LEU A 20 30.247 -17.096 -3.531 1.00 45.11 C
164
+ ATOM 161 CG LEU A 20 30.225 -15.808 -4.348 1.00 45.86 C
165
+ ATOM 162 CD1 LEU A 20 28.864 -15.587 -5.011 1.00 45.17 C
166
+ ATOM 163 CD2 LEU A 20 30.586 -14.610 -3.486 1.00 47.44 C
167
+ ATOM 164 N GLN A 21 31.892 -18.789 -1.018 1.00 48.24 N
168
+ ATOM 165 CA GLN A 21 31.678 -19.885 -0.076 1.00 49.05 C
169
+ ATOM 166 C GLN A 21 30.247 -19.868 0.405 1.00 47.09 C
170
+ ATOM 167 O GLN A 21 29.966 -19.278 1.446 1.00 46.98 O
171
+ ATOM 168 CB GLN A 21 32.596 -19.737 1.104 1.00 51.95 C
172
+ ATOM 169 CG GLN A 21 34.041 -19.786 0.666 1.00 55.10 C
173
+ ATOM 170 CD GLN A 21 34.725 -21.071 1.079 1.00 58.13 C
174
+ ATOM 171 OE1 GLN A 21 34.416 -21.631 2.166 1.00 59.96 O
175
+ ATOM 172 NE2 GLN A 21 35.700 -21.537 0.254 1.00 59.88 N
176
+ ATOM 173 N VAL A 22 29.356 -20.484 -0.386 1.00 45.59 N
177
+ ATOM 174 CA VAL A 22 27.909 -20.436 -0.143 1.00 44.32 C
178
+ ATOM 175 C VAL A 22 27.202 -21.706 -0.535 1.00 44.09 C
179
+ ATOM 176 O VAL A 22 27.439 -22.256 -1.626 1.00 44.24 O
180
+ ATOM 177 CB VAL A 22 27.225 -19.297 -0.926 1.00 43.57 C
181
+ ATOM 178 CG1 VAL A 22 25.750 -19.186 -0.539 1.00 42.85 C
182
+ ATOM 179 CG2 VAL A 22 27.921 -17.975 -0.637 1.00 44.27 C
183
+ ATOM 180 N CYS A 23 26.309 -22.159 0.345 1.00 43.94 N
184
+ ATOM 181 CA CYS A 23 25.643 -23.438 0.117 1.00 44.60 C
185
+ ATOM 182 C CYS A 23 24.451 -23.286 -0.772 1.00 44.42 C
186
+ ATOM 183 O CYS A 23 23.935 -22.220 -0.972 1.00 43.38 O
187
+ ATOM 184 CB CYS A 23 25.321 -24.168 1.421 1.00 45.22 C
188
+ ATOM 185 SG CYS A 23 24.021 -23.515 2.459 1.00 43.76 S
189
+ ATOM 186 N LYS A 24 24.054 -24.385 -1.360 1.00 46.31 N
190
+ ATOM 187 CA LYS A 24 22.964 -24.371 -2.315 1.00 47.24 C
191
+ ATOM 188 C LYS A 24 21.708 -23.807 -1.637 1.00 46.37 C
192
+ ATOM 189 O LYS A 24 21.029 -22.975 -2.204 1.00 46.50 O
193
+ ATOM 190 CB LYS A 24 22.732 -25.795 -2.859 1.00 50.12 C
194
+ ATOM 191 CG LYS A 24 21.426 -26.016 -3.605 1.00 52.27 C
195
+ ATOM 192 CD LYS A 24 21.606 -25.816 -5.101 1.00 53.58 C
196
+ ATOM 193 CE LYS A 24 22.202 -27.070 -5.737 1.00 56.17 C
197
+ ATOM 194 NZ LYS A 24 21.877 -27.182 -7.205 1.00 57.99 N
198
+ ATOM 195 N GLN A 25 21.406 -24.247 -0.431 1.00 45.87 N
199
+ ATOM 196 CA GLN A 25 20.170 -23.855 0.201 1.00 45.38 C
200
+ ATOM 197 C GLN A 25 20.147 -22.373 0.500 1.00 43.83 C
201
+ ATOM 198 O GLN A 25 19.151 -21.729 0.273 1.00 43.83 O
202
+ ATOM 199 CB GLN A 25 20.035 -24.641 1.473 1.00 45.86 C
203
+ ATOM 200 CG GLN A 25 18.829 -24.344 2.334 1.00 45.74 C
204
+ ATOM 201 CD GLN A 25 18.795 -25.207 3.585 1.00 46.48 C
205
+ ATOM 202 OE1 GLN A 25 19.529 -26.212 3.723 1.00 47.95 O
206
+ ATOM 203 NE2 GLN A 25 17.948 -24.836 4.483 1.00 45.96 N
207
+ ATOM 204 N CYS A 26 21.259 -21.855 1.028 1.00 42.93 N
208
+ ATOM 205 CA CYS A 26 21.392 -20.459 1.396 1.00 42.00 C
209
+ ATOM 206 C CYS A 26 21.336 -19.635 0.143 1.00 42.62 C
210
+ ATOM 207 O CYS A 26 20.818 -18.529 0.142 1.00 42.85 O
211
+ ATOM 208 CB CYS A 26 22.693 -20.185 2.072 1.00 41.62 C
212
+ ATOM 209 SG CYS A 26 22.643 -20.334 3.847 1.00 41.29 S
213
+ TER 210 CYS A 26
214
+ END
motif_pdbs/5F0E_PS00707_c2.pdb ADDED
@@ -0,0 +1,498 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A667-697 -> A1-31
4
+ ATOM 1 N GLY A 1 16.315 20.789 1.168 1.00 13.43 N
5
+ ATOM 2 CA GLY A 1 15.776 20.165 -0.030 1.00 14.15 C
6
+ ATOM 3 C GLY A 1 14.269 20.173 0.023 1.00 14.71 C
7
+ ATOM 4 O GLY A 1 13.700 20.631 1.004 1.00 12.02 O
8
+ ATOM 5 H GLY A 1 15.640 20.932 1.911 1.00 15.46 H
9
+ ATOM 6 HA2 GLY A 1 16.092 20.707 -0.921 1.00 9.98 H
10
+ ATOM 7 HA3 GLY A 1 16.116 19.135 -0.102 1.00 16.11 H
11
+ ATOM 8 N ALA A 2 13.653 19.688 -1.020 1.00 13.30 N
12
+ ATOM 9 CA ALA A 2 12.197 19.513 -1.133 1.00 12.64 C
13
+ ATOM 10 C ALA A 2 11.935 18.079 -1.577 1.00 15.49 C
14
+ ATOM 11 O ALA A 2 12.774 17.460 -2.249 1.00 12.13 O
15
+ ATOM 12 CB ALA A 2 11.632 20.506 -2.131 1.00 13.72 C
16
+ ATOM 13 H ALA A 2 14.136 19.401 -1.866 1.00 14.68 H
17
+ ATOM 14 HA ALA A 2 11.717 19.662 -0.167 1.00 12.79 H
18
+ ATOM 15 HB1 ALA A 2 10.545 20.503 -2.073 1.00 15.47 H
19
+ ATOM 16 HB2 ALA A 2 12.016 21.495 -1.883 1.00 13.81 H
20
+ ATOM 17 HB3 ALA A 2 11.948 20.234 -3.137 1.00 11.51 H
21
+ ATOM 18 N ASP A 3 10.772 17.538 -1.212 1.00 13.15 N
22
+ ATOM 19 CA ASP A 3 10.453 16.143 -1.522 1.00 12.22 C
23
+ ATOM 20 C ASP A 3 10.401 15.927 -3.023 1.00 14.62 C
24
+ ATOM 21 O ASP A 3 9.622 16.591 -3.712 1.00 14.53 O
25
+ ATOM 22 CB ASP A 3 9.109 15.740 -0.952 1.00 13.04 C
26
+ ATOM 23 CG ASP A 3 9.003 15.643 0.541 1.00 20.90 C
27
+ ATOM 24 OD1 ASP A 3 10.057 15.571 1.215 1.00 16.89 O
28
+ ATOM 25 OD2 ASP A 3 7.886 15.467 1.022 1.00 18.54 O
29
+ ATOM 26 H ASP A 3 10.045 18.050 -0.723 1.00 13.09 H
30
+ ATOM 27 HA ASP A 3 11.219 15.497 -1.099 1.00 13.84 H
31
+ ATOM 28 HB2 ASP A 3 8.376 16.476 -1.276 1.00 11.69 H
32
+ ATOM 29 HB3 ASP A 3 8.840 14.766 -1.358 1.00 11.57 H
33
+ ATOM 30 N VAL A 4 11.258 15.037 -3.517 1.00 11.83 N
34
+ ATOM 31 CA VAL A 4 11.354 14.744 -4.932 1.00 11.34 C
35
+ ATOM 32 C VAL A 4 10.087 14.020 -5.370 1.00 13.20 C
36
+ ATOM 33 O VAL A 4 9.799 12.950 -4.871 1.00 12.99 O
37
+ ATOM 34 CB VAL A 4 12.665 13.993 -5.248 1.00 14.11 C
38
+ ATOM 35 CG1 VAL A 4 12.692 13.469 -6.669 1.00 14.12 C
39
+ ATOM 36 CG2 VAL A 4 13.861 14.928 -4.968 1.00 12.83 C
40
+ ATOM 37 H VAL A 4 11.876 14.478 -2.938 1.00 13.45 H
41
+ ATOM 38 HA VAL A 4 11.398 15.694 -5.459 1.00 10.60 H
42
+ ATOM 39 HB VAL A 4 12.781 13.127 -4.602 1.00 15.74 H
43
+ ATOM 40 HG11 VAL A 4 13.694 13.112 -6.900 1.00 15.62 H
44
+ ATOM 41 HG12 VAL A 4 11.988 12.644 -6.769 1.00 14.97 H
45
+ ATOM 42 HG13 VAL A 4 12.433 14.288 -7.337 1.00 15.33 H
46
+ ATOM 43 HG21 VAL A 4 14.766 14.470 -5.360 1.00 12.42 H
47
+ ATOM 44 HG22 VAL A 4 13.684 15.889 -5.447 1.00 11.15 H
48
+ ATOM 45 HG23 VAL A 4 13.950 15.068 -3.892 1.00 12.18 H
49
+ ATOM 46 N GLY A 5 9.400 14.600 -6.346 1.00 12.65 N
50
+ ATOM 47 CA GLY A 5 8.128 14.097 -6.859 1.00 13.49 C
51
+ ATOM 48 C GLY A 5 6.950 14.825 -6.262 1.00 19.22 C
52
+ ATOM 49 O GLY A 5 5.828 14.725 -6.785 1.00 17.58 O
53
+ ATOM 50 H GLY A 5 9.697 15.441 -6.819 1.00 11.26 H
54
+ ATOM 51 HA2 GLY A 5 8.096 14.233 -7.939 1.00 13.72 H
55
+ ATOM 52 HA3 GLY A 5 8.017 13.035 -6.649 1.00 12.25 H
56
+ ATOM 53 N GLY A 6 7.176 15.522 -5.135 1.00 14.78 N
57
+ ATOM 54 CA GLY A 6 6.098 16.182 -4.417 1.00 14.99 C
58
+ ATOM 55 C GLY A 6 5.469 15.209 -3.444 1.00 16.71 C
59
+ ATOM 56 O GLY A 6 5.355 14.015 -3.740 1.00 16.72 O
60
+ ATOM 57 H GLY A 6 8.073 15.664 -4.687 1.00 16.02 H
61
+ ATOM 58 HA2 GLY A 6 6.500 17.032 -3.870 1.00 16.91 H
62
+ ATOM 59 HA3 GLY A 6 5.338 16.559 -5.098 1.00 15.72 H
63
+ ATOM 60 N PHE A 7 5.077 15.690 -2.251 1.00 13.43 N
64
+ ATOM 61 CA PHE A 7 4.507 14.821 -1.222 1.00 12.30 C
65
+ ATOM 62 C PHE A 7 3.069 14.432 -1.586 1.00 14.54 C
66
+ ATOM 63 O PHE A 7 2.776 13.241 -1.742 1.00 14.18 O
67
+ ATOM 64 CB PHE A 7 4.587 15.518 0.142 1.00 12.36 C
68
+ ATOM 65 CG PHE A 7 3.958 14.752 1.274 1.00 12.85 C
69
+ ATOM 66 CD1 PHE A 7 4.519 13.567 1.725 1.00 15.81 C
70
+ ATOM 67 CD2 PHE A 7 2.852 15.253 1.938 1.00 16.05 C
71
+ ATOM 68 CE1 PHE A 7 4.007 12.914 2.823 1.00 17.25 C
72
+ ATOM 69 CE2 PHE A 7 2.364 14.614 3.078 1.00 18.45 C
73
+ ATOM 70 CZ PHE A 7 2.913 13.423 3.475 1.00 16.68 C
74
+ ATOM 71 H PHE A 7 5.112 16.669 -1.991 1.00 14.71 H
75
+ ATOM 72 HA PHE A 7 5.085 13.902 -1.146 1.00 12.02 H
76
+ ATOM 73 HB2 PHE A 7 5.639 15.652 0.380 1.00 12.55 H
77
+ ATOM 74 HB3 PHE A 7 4.113 16.495 0.102 1.00 12.45 H
78
+ ATOM 75 HD1 PHE A 7 5.380 13.147 1.207 1.00 15.65 H
79
+ ATOM 76 HD2 PHE A 7 2.392 16.175 1.589 1.00 15.24 H
80
+ ATOM 77 HE1 PHE A 7 4.446 11.969 3.140 1.00 16.30 H
81
+ ATOM 78 HE2 PHE A 7 1.463 14.982 3.565 1.00 19.34 H
82
+ ATOM 79 HZ PHE A 7 2.504 12.896 4.335 1.00 17.71 H
83
+ ATOM 80 N PHE A 8 2.223 15.425 -1.742 1.00 13.87 N
84
+ ATOM 81 CA PHE A 8 0.811 15.202 -2.080 1.00 13.33 C
85
+ ATOM 82 C PHE A 8 0.625 14.928 -3.573 1.00 17.15 C
86
+ ATOM 83 O PHE A 8 1.227 15.586 -4.400 1.00 17.03 O
87
+ ATOM 84 CB PHE A 8 -0.035 16.440 -1.717 1.00 14.32 C
88
+ ATOM 85 CG PHE A 8 -0.101 16.711 -0.242 1.00 15.09 C
89
+ ATOM 86 CD1 PHE A 8 -0.733 15.821 0.618 1.00 17.01 C
90
+ ATOM 87 CD2 PHE A 8 0.416 17.883 0.288 1.00 17.29 C
91
+ ATOM 88 CE1 PHE A 8 -0.848 16.105 1.976 1.00 20.21 C
92
+ ATOM 89 CE2 PHE A 8 0.309 18.153 1.643 1.00 19.22 C
93
+ ATOM 90 CZ PHE A 8 -0.288 17.253 2.484 1.00 17.80 C
94
+ ATOM 91 H PHE A 8 2.475 16.405 -1.663 1.00 12.10 H
95
+ ATOM 92 HA PHE A 8 0.425 14.350 -1.523 1.00 11.09 H
96
+ ATOM 93 HB2 PHE A 8 0.364 17.317 -2.223 1.00 14.61 H
97
+ ATOM 94 HB3 PHE A 8 -1.055 16.269 -2.058 1.00 15.84 H
98
+ ATOM 95 HD1 PHE A 8 -1.165 14.902 0.226 1.00 17.67 H
99
+ ATOM 96 HD2 PHE A 8 0.901 18.612 -0.358 1.00 18.16 H
100
+ ATOM 97 HE1 PHE A 8 -1.322 15.388 2.644 1.00 20.95 H
101
+ ATOM 98 HE2 PHE A 8 0.750 19.065 2.039 1.00 20.34 H
102
+ ATOM 99 HZ PHE A 8 -0.388 17.482 3.543 1.00 18.07 H
103
+ ATOM 100 N LYS A 9 -0.294 14.005 -3.904 1.00 15.56 N
104
+ ATOM 101 CA LYS A 9 -0.730 13.741 -5.284 1.00 15.76 C
105
+ ATOM 102 C LYS A 9 0.290 12.920 -6.077 1.00 21.09 C
106
+ ATOM 103 O LYS A 9 1.384 12.602 -5.581 1.00 17.99 O
107
+ ATOM 104 CB LYS A 9 -1.137 15.024 -6.037 1.00 18.25 C
108
+ ATOM 105 CG LYS A 9 -2.204 15.864 -5.326 1.00 23.72 C
109
+ ATOM 106 CD LYS A 9 -2.658 17.040 -6.192 1.00 30.67 C
110
+ ATOM 107 CE LYS A 9 -3.589 17.974 -5.459 1.00 48.22 C
111
+ ATOM 108 NZ LYS A 9 -4.109 19.047 -6.356 1.00 65.61 N
112
+ ATOM 109 H LYS A 9 -0.740 13.391 -3.230 1.00 14.78 H
113
+ ATOM 110 HA LYS A 9 -1.636 13.138 -5.226 1.00 15.16 H
114
+ ATOM 111 HB2 LYS A 9 -0.273 15.658 -6.230 1.00 18.70 H
115
+ ATOM 112 HB3 LYS A 9 -1.579 14.749 -6.992 1.00 18.48 H
116
+ ATOM 113 HG2 LYS A 9 -3.067 15.239 -5.103 1.00 21.90 H
117
+ ATOM 114 HG3 LYS A 9 -1.790 16.268 -4.403 1.00 24.37 H
118
+ ATOM 115 HD2 LYS A 9 -1.789 17.614 -6.508 1.00 29.82 H
119
+ ATOM 116 HD3 LYS A 9 -3.188 16.655 -7.062 1.00 31.04 H
120
+ ATOM 117 HE2 LYS A 9 -4.435 17.408 -5.072 1.00 47.77 H
121
+ ATOM 118 HE3 LYS A 9 -3.051 18.451 -4.641 1.00 48.09 H
122
+ ATOM 119 HZ1 LYS A 9 -4.707 19.678 -5.832 1.00 65.60 H
123
+ ATOM 120 HZ2 LYS A 9 -3.337 19.574 -6.750 1.00 65.60 H
124
+ ATOM 121 HZ3 LYS A 9 -4.647 18.635 -7.112 1.00 65.65 H
125
+ ATOM 122 N ASN A 10 -0.093 12.567 -7.321 1.00 17.03 N
126
+ ATOM 123 CA ASN A 10 0.684 11.714 -8.209 1.00 18.28 C
127
+ ATOM 124 C ASN A 10 1.305 12.508 -9.331 1.00 20.55 C
128
+ ATOM 125 O ASN A 10 0.588 13.096 -10.125 1.00 20.22 O
129
+ ATOM 126 CB ASN A 10 -0.218 10.617 -8.786 1.00 20.88 C
130
+ ATOM 127 CG ASN A 10 -0.761 9.731 -7.714 1.00 25.96 C
131
+ ATOM 128 OD1 ASN A 10 -0.001 9.117 -6.966 1.00 21.15 O
132
+ ATOM 129 ND2 ASN A 10 -2.088 9.573 -7.646 1.00 25.91 N
133
+ ATOM 130 H ASN A 10 -0.954 12.877 -7.758 1.00 17.17 H
134
+ ATOM 131 HA ASN A 10 1.440 11.189 -7.629 1.00 19.14 H
135
+ ATOM 132 HB2 ASN A 10 -1.037 11.084 -9.331 1.00 19.39 H
136
+ ATOM 133 HB3 ASN A 10 0.369 9.988 -9.452 1.00 20.92 H
137
+ ATOM 134 HD21 ASN A 10 -2.488 8.977 -6.928 1.00 25.55 H
138
+ ATOM 135 HD22 ASN A 10 -2.700 10.032 -8.313 1.00 26.78 H
139
+ ATOM 136 N PRO A 11 2.643 12.605 -9.376 1.00 15.05 N
140
+ ATOM 137 CA PRO A 11 3.280 13.339 -10.463 1.00 15.49 C
141
+ ATOM 138 C PRO A 11 3.213 12.552 -11.754 1.00 17.66 C
142
+ ATOM 139 O PRO A 11 3.389 11.345 -11.715 1.00 17.92 O
143
+ ATOM 140 CB PRO A 11 4.752 13.432 -10.022 1.00 15.84 C
144
+ ATOM 141 CG PRO A 11 4.945 12.240 -9.161 1.00 17.37 C
145
+ ATOM 142 CD PRO A 11 3.622 11.974 -8.482 1.00 14.55 C
146
+ ATOM 143 HA PRO A 11 2.867 14.340 -10.589 1.00 15.37 H
147
+ ATOM 144 HB2 PRO A 11 5.397 13.387 -10.898 1.00 15.35 H
148
+ ATOM 145 HB3 PRO A 11 4.931 14.357 -9.476 1.00 14.37 H
149
+ ATOM 146 HG2 PRO A 11 5.221 11.382 -9.771 1.00 17.10 H
150
+ ATOM 147 HG3 PRO A 11 5.721 12.441 -8.424 1.00 17.12 H
151
+ ATOM 148 HD2 PRO A 11 3.454 10.901 -8.401 1.00 10.78 H
152
+ ATOM 149 HD3 PRO A 11 3.576 12.461 -7.510 1.00 15.09 H
153
+ ATOM 150 N GLU A 12 3.060 13.226 -12.889 1.00 16.75 N
154
+ ATOM 151 CA GLU A 12 3.164 12.514 -14.164 1.00 17.36 C
155
+ ATOM 152 C GLU A 12 4.676 12.127 -14.322 1.00 20.45 C
156
+ ATOM 153 O GLU A 12 5.534 12.750 -13.665 1.00 17.40 O
157
+ ATOM 154 CB GLU A 12 2.666 13.360 -15.344 1.00 19.71 C
158
+ ATOM 155 CG GLU A 12 3.411 14.654 -15.652 1.00 33.07 C
159
+ ATOM 156 CD GLU A 12 2.552 15.736 -16.287 1.00 63.37 C
160
+ ATOM 157 OE1 GLU A 12 1.721 15.392 -17.160 1.00 77.27 O
161
+ ATOM 158 OE2 GLU A 12 2.763 16.931 -15.977 1.00 36.08 O
162
+ ATOM 159 H GLU A 12 2.880 14.222 -12.949 1.00 16.64 H
163
+ ATOM 160 HA GLU A 12 2.549 11.618 -14.109 1.00 16.36 H
164
+ ATOM 161 HB2 GLU A 12 2.749 12.747 -16.240 1.00 20.86 H
165
+ ATOM 162 HB3 GLU A 12 1.617 13.605 -15.177 1.00 18.41 H
166
+ ATOM 163 HG2 GLU A 12 3.877 15.053 -14.753 1.00 34.19 H
167
+ ATOM 164 HG3 GLU A 12 4.194 14.420 -16.371 1.00 33.95 H
168
+ ATOM 165 N PRO A 13 4.992 11.048 -15.067 1.00 18.30 N
169
+ ATOM 166 CA PRO A 13 6.412 10.614 -15.199 1.00 18.77 C
170
+ ATOM 167 C PRO A 13 7.386 11.719 -15.611 1.00 20.33 C
171
+ ATOM 168 O PRO A 13 8.501 11.749 -15.093 1.00 18.50 O
172
+ ATOM 169 CB PRO A 13 6.350 9.500 -16.236 1.00 21.30 C
173
+ ATOM 170 CG PRO A 13 4.936 9.055 -16.284 1.00 25.81 C
174
+ ATOM 171 CD PRO A 13 4.071 10.168 -15.823 1.00 21.53 C
175
+ ATOM 172 HA PRO A 13 6.759 10.180 -14.263 1.00 18.80 H
176
+ ATOM 173 HB2 PRO A 13 6.648 9.895 -17.205 1.00 21.23 H
177
+ ATOM 174 HB3 PRO A 13 6.990 8.673 -15.931 1.00 20.75 H
178
+ ATOM 175 HG2 PRO A 13 4.676 8.776 -17.303 1.00 25.63 H
179
+ ATOM 176 HG3 PRO A 13 4.814 8.201 -15.619 1.00 25.73 H
180
+ ATOM 177 HD2 PRO A 13 3.629 10.689 -16.671 1.00 20.47 H
181
+ ATOM 178 HD3 PRO A 13 3.301 9.757 -15.173 1.00 19.80 H
182
+ ATOM 179 N GLU A 14 6.988 12.617 -16.523 1.00 15.85 N
183
+ ATOM 180 CA GLU A 14 7.860 13.716 -16.967 1.00 16.12 C
184
+ ATOM 181 C GLU A 14 8.211 14.630 -15.781 1.00 17.77 C
185
+ ATOM 182 O GLU A 14 9.349 15.090 -15.643 1.00 15.64 O
186
+ ATOM 183 CB GLU A 14 7.166 14.516 -18.044 1.00 17.03 C
187
+ ATOM 184 CG GLU A 14 8.011 15.655 -18.561 1.00 19.04 C
188
+ ATOM 185 CD GLU A 14 7.376 16.542 -19.617 1.00 26.30 C
189
+ ATOM 186 OE1 GLU A 14 6.137 16.510 -19.792 1.00 25.15 O
190
+ ATOM 187 OE2 GLU A 14 8.119 17.368 -20.186 1.00 21.96 O
191
+ ATOM 188 H GLU A 14 6.062 12.642 -16.938 1.00 17.76 H
192
+ ATOM 189 HA GLU A 14 8.783 13.307 -17.377 1.00 17.40 H
193
+ ATOM 190 HB2 GLU A 14 6.943 13.844 -18.871 1.00 16.94 H
194
+ ATOM 191 HB3 GLU A 14 6.246 14.930 -17.634 1.00 17.12 H
195
+ ATOM 192 HG2 GLU A 14 8.255 16.325 -17.740 1.00 19.33 H
196
+ ATOM 193 HG3 GLU A 14 8.929 15.238 -18.972 1.00 18.49 H
197
+ ATOM 194 N LEU A 15 7.216 14.940 -14.965 1.00 14.57 N
198
+ ATOM 195 CA LEU A 15 7.461 15.775 -13.777 1.00 15.08 C
199
+ ATOM 196 C LEU A 15 8.380 15.033 -12.785 1.00 16.45 C
200
+ ATOM 197 O LEU A 15 9.282 15.667 -12.210 1.00 16.36 O
201
+ ATOM 198 CB LEU A 15 6.139 16.157 -13.118 1.00 15.31 C
202
+ ATOM 199 CG LEU A 15 6.208 16.859 -11.731 1.00 18.12 C
203
+ ATOM 200 CD1 LEU A 15 7.069 18.159 -11.795 1.00 17.79 C
204
+ ATOM 201 CD2 LEU A 15 4.807 17.173 -11.255 1.00 16.86 C
205
+ ATOM 202 H LEU A 15 6.255 14.629 -15.067 1.00 15.55 H
206
+ ATOM 203 HA LEU A 15 7.965 16.685 -14.095 1.00 14.51 H
207
+ ATOM 204 HB2 LEU A 15 5.597 16.820 -13.791 1.00 14.49 H
208
+ ATOM 205 HB3 LEU A 15 5.554 15.250 -12.972 1.00 15.29 H
209
+ ATOM 206 HG LEU A 15 6.660 16.191 -11.000 1.00 15.80 H
210
+ ATOM 207 HD11 LEU A 15 7.298 18.469 -10.776 1.00 18.24 H
211
+ ATOM 208 HD12 LEU A 15 7.997 17.995 -12.337 1.00 16.07 H
212
+ ATOM 209 HD13 LEU A 15 6.488 18.945 -12.275 1.00 17.29 H
213
+ ATOM 210 HD21 LEU A 15 4.846 17.582 -10.247 1.00 17.42 H
214
+ ATOM 211 HD22 LEU A 15 4.371 17.905 -11.932 1.00 19.22 H
215
+ ATOM 212 HD23 LEU A 15 4.208 16.263 -11.271 1.00 15.27 H
216
+ ATOM 213 N LEU A 16 8.161 13.711 -12.548 1.00 13.54 N
217
+ ATOM 214 CA LEU A 16 9.028 12.951 -11.653 1.00 15.23 C
218
+ ATOM 215 C LEU A 16 10.484 12.983 -12.138 1.00 18.25 C
219
+ ATOM 216 O LEU A 16 11.381 13.275 -11.340 1.00 14.50 O
220
+ ATOM 217 CB LEU A 16 8.528 11.520 -11.465 1.00 14.95 C
221
+ ATOM 218 CG LEU A 16 9.224 10.681 -10.405 1.00 17.09 C
222
+ ATOM 219 CD1 LEU A 16 9.232 11.402 -9.003 1.00 16.50 C
223
+ ATOM 220 CD2 LEU A 16 8.579 9.313 -10.292 1.00 22.27 C
224
+ ATOM 221 H LEU A 16 7.392 13.170 -12.930 1.00 15.92 H
225
+ ATOM 222 HA LEU A 16 9.002 13.447 -10.684 1.00 16.85 H
226
+ ATOM 223 HB2 LEU A 16 7.471 11.566 -11.202 1.00 14.89 H
227
+ ATOM 224 HB3 LEU A 16 8.647 10.990 -12.410 1.00 15.39 H
228
+ ATOM 225 HG LEU A 16 10.261 10.530 -10.701 1.00 16.21 H
229
+ ATOM 226 HD11 LEU A 16 9.294 10.658 -8.211 1.00 15.61 H
230
+ ATOM 227 HD12 LEU A 16 10.098 12.062 -8.964 1.00 15.95 H
231
+ ATOM 228 HD13 LEU A 16 8.319 11.984 -8.883 1.00 17.78 H
232
+ ATOM 229 HD21 LEU A 16 9.283 8.635 -9.812 1.00 21.73 H
233
+ ATOM 230 HD22 LEU A 16 7.673 9.407 -9.695 1.00 21.82 H
234
+ ATOM 231 HD23 LEU A 16 8.316 8.948 -11.283 1.00 23.99 H
235
+ ATOM 232 N VAL A 17 10.708 12.837 -13.475 1.00 14.10 N
236
+ ATOM 233 CA VAL A 17 12.057 12.941 -14.023 1.00 13.61 C
237
+ ATOM 234 C VAL A 17 12.645 14.319 -13.755 1.00 13.61 C
238
+ ATOM 235 O VAL A 17 13.766 14.416 -13.279 1.00 14.31 O
239
+ ATOM 236 CB VAL A 17 12.091 12.624 -15.547 1.00 16.70 C
240
+ ATOM 237 CG1 VAL A 17 13.426 13.039 -16.169 1.00 15.17 C
241
+ ATOM 238 CG2 VAL A 17 11.810 11.151 -15.780 1.00 18.33 C
242
+ ATOM 239 H VAL A 17 9.983 12.638 -14.156 1.00 14.97 H
243
+ ATOM 240 HA VAL A 17 12.691 12.209 -13.527 1.00 12.54 H
244
+ ATOM 241 HB VAL A 17 11.305 13.193 -16.041 1.00 16.72 H
245
+ ATOM 242 HG11 VAL A 17 13.525 12.593 -17.158 1.00 15.36 H
246
+ ATOM 243 HG12 VAL A 17 13.487 14.120 -16.279 1.00 15.61 H
247
+ ATOM 244 HG13 VAL A 17 14.230 12.692 -15.521 1.00 16.03 H
248
+ ATOM 245 HG21 VAL A 17 12.162 10.869 -16.770 1.00 19.93 H
249
+ ATOM 246 HG22 VAL A 17 12.309 10.550 -15.024 1.00 19.22 H
250
+ ATOM 247 HG23 VAL A 17 10.738 10.977 -15.709 1.00 18.72 H
251
+ ATOM 248 N ARG A 18 11.927 15.384 -14.073 1.00 12.67 N
252
+ ATOM 249 CA ARG A 18 12.481 16.716 -13.878 1.00 11.36 C
253
+ ATOM 250 C ARG A 18 12.726 16.972 -12.392 1.00 15.98 C
254
+ ATOM 251 O ARG A 18 13.685 17.664 -12.056 1.00 12.84 O
255
+ ATOM 252 CB ARG A 18 11.570 17.791 -14.436 1.00 12.37 C
256
+ ATOM 253 CG ARG A 18 11.385 17.777 -15.953 1.00 17.06 C
257
+ ATOM 254 CD ARG A 18 12.672 17.582 -16.658 1.00 15.42 C
258
+ ATOM 255 NE ARG A 18 12.585 17.856 -18.099 1.00 18.43 N
259
+ ATOM 256 CZ ARG A 18 13.626 17.798 -18.917 1.00 22.97 C
260
+ ATOM 257 NH1 ARG A 18 14.829 17.487 -18.449 1.00 17.80 N
261
+ ATOM 258 NH2 ARG A 18 13.480 18.077 -20.208 1.00 18.86 N
262
+ ATOM 259 H ARG A 18 10.969 15.367 -14.408 1.00 14.00 H
263
+ ATOM 260 HA ARG A 18 13.457 16.789 -14.351 1.00 12.08 H
264
+ ATOM 261 HB2 ARG A 18 10.584 17.667 -13.990 1.00 13.50 H
265
+ ATOM 262 HB3 ARG A 18 11.977 18.762 -14.157 1.00 12.98 H
266
+ ATOM 263 HG2 ARG A 18 10.735 16.956 -16.247 1.00 16.76 H
267
+ ATOM 264 HG3 ARG A 18 10.967 18.727 -16.282 1.00 16.96 H
268
+ ATOM 265 HD2 ARG A 18 13.419 18.234 -16.210 1.00 14.50 H
269
+ ATOM 266 HD3 ARG A 18 12.959 16.536 -16.562 1.00 15.57 H
270
+ ATOM 267 HE ARG A 18 11.676 18.086 -18.488 1.00 18.05 H
271
+ ATOM 268 HH11 ARG A 18 14.990 17.278 -17.471 1.00 16.44 H
272
+ ATOM 269 HH12 ARG A 18 15.626 17.480 -19.078 1.00 18.94 H
273
+ ATOM 270 HH21 ARG A 18 12.566 18.320 -20.576 1.00 18.15 H
274
+ ATOM 271 HH22 ARG A 18 14.281 18.065 -20.830 1.00 18.89 H
275
+ ATOM 272 N TRP A 19 11.905 16.385 -11.527 1.00 13.69 N
276
+ ATOM 273 CA TRP A 19 12.142 16.551 -10.088 1.00 14.17 C
277
+ ATOM 274 C TRP A 19 13.399 15.811 -9.619 1.00 15.23 C
278
+ ATOM 275 O TRP A 19 14.161 16.350 -8.792 1.00 13.60 O
279
+ ATOM 276 CB TRP A 19 10.913 16.164 -9.272 1.00 13.03 C
280
+ ATOM 277 CG TRP A 19 10.708 17.094 -8.119 1.00 12.89 C
281
+ ATOM 278 CD1 TRP A 19 11.658 17.576 -7.250 1.00 15.41 C
282
+ ATOM 279 CD2 TRP A 19 9.476 17.706 -7.743 1.00 12.04 C
283
+ ATOM 280 NE1 TRP A 19 11.080 18.452 -6.365 1.00 13.89 N
284
+ ATOM 281 CE2 TRP A 19 9.729 18.485 -6.594 1.00 14.81 C
285
+ ATOM 282 CE3 TRP A 19 8.148 17.597 -8.209 1.00 13.69 C
286
+ ATOM 283 CZ2 TRP A 19 8.744 19.261 -5.999 1.00 15.33 C
287
+ ATOM 284 CZ3 TRP A 19 7.162 18.333 -7.579 1.00 15.09 C
288
+ ATOM 285 CH2 TRP A 19 7.467 19.154 -6.486 1.00 15.55 C
289
+ ATOM 286 H TRP A 19 11.098 15.819 -11.765 1.00 13.08 H
290
+ ATOM 287 HA TRP A 19 12.344 17.609 -9.928 1.00 13.21 H
291
+ ATOM 288 HB2 TRP A 19 10.018 16.240 -9.885 1.00 12.28 H
292
+ ATOM 289 HB3 TRP A 19 11.010 15.142 -8.908 1.00 12.77 H
293
+ ATOM 290 HD1 TRP A 19 12.718 17.334 -7.246 1.00 15.85 H
294
+ ATOM 291 HE1 TRP A 19 11.552 18.938 -5.611 1.00 14.30 H
295
+ ATOM 292 HE3 TRP A 19 7.908 16.966 -9.063 1.00 14.39 H
296
+ ATOM 293 HZ2 TRP A 19 8.988 19.916 -5.165 1.00 16.46 H
297
+ ATOM 294 HZ3 TRP A 19 6.143 18.287 -7.961 1.00 14.83 H
298
+ ATOM 295 HH2 TRP A 19 6.676 19.718 -5.995 1.00 16.72 H
299
+ ATOM 296 N TYR A 20 13.666 14.612 -10.146 1.00 13.01 N
300
+ ATOM 297 CA TYR A 20 14.924 13.926 -9.839 1.00 12.41 C
301
+ ATOM 298 C TYR A 20 16.107 14.773 -10.262 1.00 15.69 C
302
+ ATOM 299 O TYR A 20 17.121 14.801 -9.573 1.00 12.86 O
303
+ ATOM 300 CB TYR A 20 15.017 12.558 -10.507 1.00 12.95 C
304
+ ATOM 301 CG TYR A 20 14.482 11.457 -9.626 1.00 11.48 C
305
+ ATOM 302 CD1 TYR A 20 15.286 10.846 -8.685 1.00 13.83 C
306
+ ATOM 303 CD2 TYR A 20 13.162 11.033 -9.733 1.00 12.08 C
307
+ ATOM 304 CE1 TYR A 20 14.802 9.811 -7.879 1.00 15.67 C
308
+ ATOM 305 CE2 TYR A 20 12.665 10.000 -8.941 1.00 12.43 C
309
+ ATOM 306 CZ TYR A 20 13.479 9.408 -7.997 1.00 16.81 C
310
+ ATOM 307 OH TYR A 20 12.949 8.479 -7.162 1.00 17.32 O
311
+ ATOM 308 H TYR A 20 13.048 14.102 -10.769 1.00 15.05 H
312
+ ATOM 309 HA TYR A 20 14.988 13.778 -8.762 1.00 14.55 H
313
+ ATOM 310 HB2 TYR A 20 14.451 12.542 -11.437 1.00 13.54 H
314
+ ATOM 311 HB3 TYR A 20 16.061 12.326 -10.717 1.00 14.25 H
315
+ ATOM 312 HD1 TYR A 20 16.330 11.146 -8.601 1.00 12.83 H
316
+ ATOM 313 HD2 TYR A 20 12.512 11.492 -10.473 1.00 12.30 H
317
+ ATOM 314 HE1 TYR A 20 15.471 9.337 -7.164 1.00 13.90 H
318
+ ATOM 315 HE2 TYR A 20 11.615 9.717 -9.010 1.00 10.82 H
319
+ ATOM 316 HH TYR A 20 13.660 7.918 -6.754 1.00 17.18 H
320
+ ATOM 317 N GLN A 21 16.015 15.399 -11.432 1.00 14.50 N
321
+ ATOM 318 CA GLN A 21 17.119 16.208 -11.965 1.00 12.21 C
322
+ ATOM 319 C GLN A 21 17.372 17.443 -11.105 1.00 13.88 C
323
+ ATOM 320 O GLN A 21 18.507 17.757 -10.847 1.00 13.36 O
324
+ ATOM 321 CB GLN A 21 16.857 16.606 -13.396 1.00 12.12 C
325
+ ATOM 322 CG GLN A 21 16.818 15.388 -14.316 1.00 11.56 C
326
+ ATOM 323 CD GLN A 21 16.236 15.665 -15.682 1.00 16.70 C
327
+ ATOM 324 OE1 GLN A 21 15.451 16.586 -15.891 1.00 18.00 O
328
+ ATOM 325 NE2 GLN A 21 16.620 14.883 -16.654 1.00 15.25 N
329
+ ATOM 326 H GLN A 21 15.187 15.384 -12.018 1.00 17.16 H
330
+ ATOM 327 HA GLN A 21 18.029 15.609 -11.948 1.00 12.36 H
331
+ ATOM 328 HB2 GLN A 21 15.904 17.130 -13.441 1.00 11.32 H
332
+ ATOM 329 HB3 GLN A 21 17.649 17.277 -13.725 1.00 12.64 H
333
+ ATOM 330 HG2 GLN A 21 17.826 14.999 -14.434 1.00 12.89 H
334
+ ATOM 331 HG3 GLN A 21 16.204 14.601 -13.882 1.00 12.71 H
335
+ ATOM 332 HE21 GLN A 21 17.277 14.128 -16.489 1.00 15.89 H
336
+ ATOM 333 HE22 GLN A 21 16.261 15.038 -17.591 1.00 17.09 H
337
+ ATOM 334 N MET A 22 16.328 18.108 -10.662 1.00 11.99 N
338
+ ATOM 335 CA MET A 22 16.388 19.284 -9.783 1.00 12.05 C
339
+ ATOM 336 C MET A 22 16.963 18.825 -8.436 1.00 15.82 C
340
+ ATOM 337 O MET A 22 17.926 19.420 -7.945 1.00 13.53 O
341
+ ATOM 338 CB MET A 22 14.962 19.851 -9.602 1.00 13.35 C
342
+ ATOM 339 CG MET A 22 14.835 20.950 -8.601 1.00 15.56 C
343
+ ATOM 340 SD MET A 22 15.352 22.536 -9.208 1.00 18.76 S
344
+ ATOM 341 CE MET A 22 13.835 23.064 -10.232 1.00 16.62 C
345
+ ATOM 342 H MET A 22 15.379 17.871 -10.934 1.00 14.86 H
346
+ ATOM 343 HA MET A 22 17.016 20.059 -10.220 1.00 10.57 H
347
+ ATOM 344 HB2 MET A 22 14.615 20.231 -10.561 1.00 13.73 H
348
+ ATOM 345 HB3 MET A 22 14.307 19.046 -9.270 1.00 13.24 H
349
+ ATOM 346 HG2 MET A 22 13.779 21.055 -8.355 1.00 17.18 H
350
+ ATOM 347 HG3 MET A 22 15.380 20.722 -7.688 1.00 14.28 H
351
+ ATOM 348 HE1 MET A 22 14.071 23.988 -10.757 1.00 17.71 H
352
+ ATOM 349 HE2 MET A 22 13.562 22.297 -10.956 1.00 16.33 H
353
+ ATOM 350 HE3 MET A 22 13.005 23.230 -9.549 1.00 17.87 H
354
+ ATOM 351 N GLY A 23 16.384 17.757 -7.880 1.00 12.42 N
355
+ ATOM 352 CA GLY A 23 16.814 17.239 -6.574 1.00 12.94 C
356
+ ATOM 353 C GLY A 23 18.248 16.752 -6.574 1.00 14.53 C
357
+ ATOM 354 O GLY A 23 18.979 16.968 -5.600 1.00 14.19 O
358
+ ATOM 355 H GLY A 23 15.620 17.231 -8.291 1.00 12.60 H
359
+ ATOM 356 HA2 GLY A 23 16.733 18.045 -5.847 1.00 8.93 H
360
+ ATOM 357 HA3 GLY A 23 16.171 16.415 -6.267 1.00 10.99 H
361
+ ATOM 358 N ALA A 24 18.694 16.217 -7.715 1.00 12.08 N
362
+ ATOM 359 CA ALA A 24 20.070 15.738 -7.865 1.00 11.37 C
363
+ ATOM 360 C ALA A 24 21.078 16.877 -7.700 1.00 12.19 C
364
+ ATOM 361 O ALA A 24 22.245 16.595 -7.392 1.00 14.15 O
365
+ ATOM 362 CB ALA A 24 20.261 15.059 -9.196 1.00 12.47 C
366
+ ATOM 363 H ALA A 24 18.132 16.097 -8.552 1.00 14.46 H
367
+ ATOM 364 HA ALA A 24 20.278 15.006 -7.086 1.00 12.10 H
368
+ ATOM 365 HB1 ALA A 24 21.303 14.758 -9.294 1.00 11.95 H
369
+ ATOM 366 HB2 ALA A 24 19.619 14.180 -9.238 1.00 13.57 H
370
+ ATOM 367 HB3 ALA A 24 20.019 15.761 -9.992 1.00 12.48 H
371
+ ATOM 368 N TYR A 25 20.654 18.135 -7.908 1.00 10.12 N
372
+ ATOM 369 CA TYR A 25 21.527 19.316 -7.776 1.00 10.85 C
373
+ ATOM 370 C TYR A 25 21.141 20.226 -6.566 1.00 15.74 C
374
+ ATOM 371 O TYR A 25 21.623 21.361 -6.438 1.00 13.69 O
375
+ ATOM 372 CB TYR A 25 21.585 20.092 -9.111 1.00 11.28 C
376
+ ATOM 373 CG TYR A 25 22.528 19.401 -10.079 1.00 12.35 C
377
+ ATOM 374 CD1 TYR A 25 23.879 19.708 -10.102 1.00 14.59 C
378
+ ATOM 375 CD2 TYR A 25 22.082 18.382 -10.918 1.00 12.54 C
379
+ ATOM 376 CE1 TYR A 25 24.763 19.015 -10.917 1.00 13.81 C
380
+ ATOM 377 CE2 TYR A 25 22.951 17.709 -11.766 1.00 14.13 C
381
+ ATOM 378 CZ TYR A 25 24.295 18.037 -11.776 1.00 14.03 C
382
+ ATOM 379 OH TYR A 25 25.183 17.413 -12.628 1.00 14.67 O
383
+ ATOM 380 H TYR A 25 19.730 18.384 -8.242 1.00 9.77 H
384
+ ATOM 381 HA TYR A 25 22.542 18.973 -7.589 1.00 9.86 H
385
+ ATOM 382 HB2 TYR A 25 20.591 20.142 -9.553 1.00 9.56 H
386
+ ATOM 383 HB3 TYR A 25 21.964 21.098 -8.936 1.00 10.10 H
387
+ ATOM 384 HD1 TYR A 25 24.260 20.497 -9.458 1.00 14.84 H
388
+ ATOM 385 HD2 TYR A 25 21.030 18.104 -10.923 1.00 14.53 H
389
+ ATOM 386 HE1 TYR A 25 25.812 19.306 -10.945 1.00 14.66 H
390
+ ATOM 387 HE2 TYR A 25 22.575 16.907 -12.399 1.00 14.47 H
391
+ ATOM 388 HH TYR A 25 24.724 17.059 -13.434 1.00 14.12 H
392
+ ATOM 389 N GLN A 26 20.385 19.666 -5.626 1.00 13.41 N
393
+ ATOM 390 CA GLN A 26 20.016 20.361 -4.396 1.00 12.53 C
394
+ ATOM 391 C GLN A 26 20.654 19.623 -3.189 1.00 15.35 C
395
+ ATOM 392 O GLN A 26 20.914 18.419 -3.237 1.00 12.57 O
396
+ ATOM 393 CB GLN A 26 18.505 20.547 -4.292 1.00 13.41 C
397
+ ATOM 394 CG GLN A 26 18.018 21.598 -5.290 1.00 14.86 C
398
+ ATOM 395 CD GLN A 26 16.523 21.770 -5.230 1.00 28.76 C
399
+ ATOM 396 OE1 GLN A 26 15.806 20.939 -4.664 1.00 28.34 O
400
+ ATOM 397 NE2 GLN A 26 16.029 22.792 -5.906 1.00 18.20 N
401
+ ATOM 398 H GLN A 26 20.034 18.715 -5.650 1.00 13.84 H
402
+ ATOM 399 HA GLN A 26 20.427 21.367 -4.439 1.00 12.19 H
403
+ ATOM 400 HB2 GLN A 26 18.011 19.599 -4.499 1.00 13.13 H
404
+ ATOM 401 HB3 GLN A 26 18.247 20.895 -3.293 1.00 11.59 H
405
+ ATOM 402 HG2 GLN A 26 18.458 22.561 -5.036 1.00 16.15 H
406
+ ATOM 403 HG3 GLN A 26 18.313 21.320 -6.300 1.00 13.88 H
407
+ ATOM 404 HE21 GLN A 26 16.648 23.404 -6.429 1.00 17.89 H
408
+ ATOM 405 HE22 GLN A 26 15.029 22.961 -5.916 1.00 18.05 H
409
+ ATOM 406 N PRO A 27 20.942 20.330 -2.080 1.00 13.25 N
410
+ ATOM 407 CA PRO A 27 21.738 19.698 -1.013 1.00 13.15 C
411
+ ATOM 408 C PRO A 27 21.161 18.443 -0.372 1.00 15.70 C
412
+ ATOM 409 O PRO A 27 21.899 17.475 -0.238 1.00 12.83 O
413
+ ATOM 410 CB PRO A 27 21.952 20.835 -0.009 1.00 14.15 C
414
+ ATOM 411 CG PRO A 27 21.799 22.107 -0.843 1.00 15.79 C
415
+ ATOM 412 CD PRO A 27 20.789 21.785 -1.868 1.00 14.89 C
416
+ ATOM 413 HA PRO A 27 22.710 19.433 -1.426 1.00 14.21 H
417
+ ATOM 414 HB2 PRO A 27 21.232 20.769 0.804 1.00 13.73 H
418
+ ATOM 415 HB3 PRO A 27 22.977 20.764 0.347 1.00 11.64 H
419
+ ATOM 416 HG2 PRO A 27 21.436 22.923 -0.221 1.00 16.08 H
420
+ ATOM 417 HG3 PRO A 27 22.745 22.375 -1.309 1.00 14.91 H
421
+ ATOM 418 HD2 PRO A 27 19.787 22.026 -1.515 1.00 11.81 H
422
+ ATOM 419 HD3 PRO A 27 21.032 22.349 -2.767 1.00 15.17 H
423
+ ATOM 420 N PHE A 28 19.871 18.439 0.009 1.00 11.85 N
424
+ ATOM 421 CA PHE A 28 19.220 17.270 0.610 1.00 10.72 C
425
+ ATOM 422 C PHE A 28 18.336 16.626 -0.423 1.00 12.90 C
426
+ ATOM 423 O PHE A 28 17.393 17.253 -0.888 1.00 12.07 O
427
+ ATOM 424 CB PHE A 28 18.459 17.655 1.880 1.00 11.99 C
428
+ ATOM 425 CG PHE A 28 17.736 16.468 2.483 1.00 11.86 C
429
+ ATOM 426 CD1 PHE A 28 18.439 15.379 2.957 1.00 13.87 C
430
+ ATOM 427 CD2 PHE A 28 16.360 16.445 2.566 1.00 14.06 C
431
+ ATOM 428 CE1 PHE A 28 17.776 14.284 3.500 1.00 12.92 C
432
+ ATOM 429 CE2 PHE A 28 15.698 15.320 3.051 1.00 15.60 C
433
+ ATOM 430 CZ PHE A 28 16.414 14.249 3.518 1.00 12.61 C
434
+ ATOM 431 H PHE A 28 19.267 19.250 -0.078 1.00 12.15 H
435
+ ATOM 432 HA PHE A 28 19.980 16.547 0.902 1.00 12.87 H
436
+ ATOM 433 HB2 PHE A 28 19.195 18.004 2.603 1.00 10.83 H
437
+ ATOM 434 HB3 PHE A 28 17.738 18.442 1.667 1.00 8.51 H
438
+ ATOM 435 HD1 PHE A 28 19.528 15.380 2.932 1.00 14.12 H
439
+ ATOM 436 HD2 PHE A 28 15.780 17.261 2.138 1.00 13.09 H
440
+ ATOM 437 HE1 PHE A 28 18.346 13.439 3.881 1.00 12.71 H
441
+ ATOM 438 HE2 PHE A 28 14.611 15.310 3.104 1.00 16.98 H
442
+ ATOM 439 HZ PHE A 28 15.899 13.409 3.977 1.00 10.07 H
443
+ ATOM 440 N PHE A 29 18.668 15.402 -0.830 1.00 11.19 N
444
+ ATOM 441 CA PHE A 29 18.057 14.731 -1.971 1.00 11.11 C
445
+ ATOM 442 C PHE A 29 17.251 13.508 -1.583 1.00 12.88 C
446
+ ATOM 443 O PHE A 29 17.778 12.394 -1.529 1.00 11.37 O
447
+ ATOM 444 CB PHE A 29 19.188 14.400 -2.931 1.00 11.51 C
448
+ ATOM 445 CG PHE A 29 18.887 13.703 -4.234 1.00 11.68 C
449
+ ATOM 446 CD1 PHE A 29 17.675 13.908 -4.892 1.00 13.30 C
450
+ ATOM 447 CD2 PHE A 29 19.872 13.001 -4.890 1.00 12.32 C
451
+ ATOM 448 CE1 PHE A 29 17.443 13.342 -6.150 1.00 12.94 C
452
+ ATOM 449 CE2 PHE A 29 19.620 12.394 -6.124 1.00 14.19 C
453
+ ATOM 450 CZ PHE A 29 18.414 12.577 -6.745 1.00 12.74 C
454
+ ATOM 451 H PHE A 29 19.377 14.827 -0.387 1.00 11.90 H
455
+ ATOM 452 HA PHE A 29 17.394 15.418 -2.496 1.00 8.35 H
456
+ ATOM 453 HB2 PHE A 29 19.664 15.344 -3.196 1.00 11.68 H
457
+ ATOM 454 HB3 PHE A 29 19.913 13.776 -2.411 1.00 9.80 H
458
+ ATOM 455 HD1 PHE A 29 16.899 14.531 -4.451 1.00 13.12 H
459
+ ATOM 456 HD2 PHE A 29 20.816 12.822 -4.380 1.00 12.68 H
460
+ ATOM 457 HE1 PHE A 29 16.483 13.489 -6.642 1.00 14.59 H
461
+ ATOM 458 HE2 PHE A 29 20.398 11.798 -6.597 1.00 15.75 H
462
+ ATOM 459 HZ PHE A 29 18.236 12.136 -7.724 1.00 14.24 H
463
+ ATOM 460 N ARG A 30 15.962 13.713 -1.382 1.00 10.59 N
464
+ ATOM 461 CA ARG A 30 15.060 12.638 -0.950 1.00 9.88 C
465
+ ATOM 462 C ARG A 30 13.761 12.651 -1.722 1.00 14.33 C
466
+ ATOM 463 O ARG A 30 13.106 13.686 -1.810 1.00 13.44 O
467
+ ATOM 464 CB ARG A 30 14.737 12.813 0.566 1.00 10.73 C
468
+ ATOM 465 CG ARG A 30 13.802 11.761 1.133 1.00 13.09 C
469
+ ATOM 466 CD ARG A 30 13.371 11.996 2.582 1.00 13.63 C
470
+ ATOM 467 NE ARG A 30 12.440 13.115 2.697 1.00 13.96 N
471
+ ATOM 468 CZ ARG A 30 11.477 13.208 3.615 1.00 15.55 C
472
+ ATOM 469 NH1 ARG A 30 11.321 12.260 4.525 1.00 15.91 N
473
+ ATOM 470 NH2 ARG A 30 10.689 14.255 3.644 1.00 15.59 N
474
+ ATOM 471 H ARG A 30 15.498 14.606 -1.512 1.00 11.30 H
475
+ ATOM 472 HA ARG A 30 15.534 11.673 -1.104 1.00 7.25 H
476
+ ATOM 473 HB2 ARG A 30 15.664 12.802 1.136 1.00 11.53 H
477
+ ATOM 474 HB3 ARG A 30 14.259 13.781 0.699 1.00 8.35 H
478
+ ATOM 475 HG2 ARG A 30 12.883 11.720 0.552 1.00 15.03 H
479
+ ATOM 476 HG3 ARG A 30 14.297 10.792 1.094 1.00 13.17 H
480
+ ATOM 477 HD2 ARG A 30 12.871 11.074 2.873 1.00 13.16 H
481
+ ATOM 478 HD3 ARG A 30 14.233 12.176 3.219 1.00 12.07 H
482
+ ATOM 479 HE ARG A 30 12.505 13.862 2.014 1.00 16.74 H
483
+ ATOM 480 HH11 ARG A 30 11.893 11.426 4.561 1.00 17.78 H
484
+ ATOM 481 HH12 ARG A 30 10.588 12.363 5.212 1.00 17.35 H
485
+ ATOM 482 HH21 ARG A 30 10.765 14.983 2.941 1.00 16.86 H
486
+ ATOM 483 HH22 ARG A 30 9.953 14.310 4.341 1.00 17.41 H
487
+ ATOM 484 N ALA A 31 13.366 11.470 -2.211 1.00 12.35 N
488
+ ATOM 485 CA ALA A 31 12.051 11.254 -2.782 1.00 11.73 C
489
+ ATOM 486 C ALA A 31 11.173 10.853 -1.618 1.00 13.86 C
490
+ ATOM 487 O ALA A 31 11.547 9.987 -0.825 1.00 12.86 O
491
+ ATOM 488 CB ALA A 31 12.076 10.145 -3.811 1.00 12.46 C
492
+ ATOM 489 H ALA A 31 13.928 10.625 -2.190 1.00 11.75 H
493
+ ATOM 490 HA ALA A 31 11.664 12.164 -3.232 1.00 13.62 H
494
+ ATOM 491 HB1 ALA A 31 11.130 10.150 -4.348 1.00 12.95 H
495
+ ATOM 492 HB2 ALA A 31 12.889 10.324 -4.512 1.00 12.95 H
496
+ ATOM 493 HB3 ALA A 31 12.205 9.187 -3.309 1.00 11.95 H
497
+ TER 494 ALA A 31
498
+ END
motif_pdbs/5G35_PS00752_c2.pdb ADDED
@@ -0,0 +1,214 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A191-216 -> A1-26
4
+ ATOM 1 N CYS A 1 48.767 50.571 -71.012 1.00 36.89 N
5
+ ATOM 2 CA CYS A 1 47.819 51.274 -70.229 1.00 34.88 C
6
+ ATOM 3 C CYS A 1 46.406 51.208 -70.901 1.00 36.77 C
7
+ ATOM 4 O CYS A 1 46.270 51.436 -72.109 1.00 35.90 O
8
+ ATOM 5 CB CYS A 1 48.284 52.708 -70.038 1.00 33.86 C
9
+ ATOM 6 SG CYS A 1 47.102 53.702 -69.235 1.00 33.15 S
10
+ ATOM 7 N ILE A 2 45.385 50.848 -70.119 1.00 35.49 N
11
+ ATOM 8 CA ILE A 2 44.005 50.850 -70.610 1.00 37.38 C
12
+ ATOM 9 C ILE A 2 43.440 52.238 -70.944 1.00 37.42 C
13
+ ATOM 10 O ILE A 2 42.401 52.306 -71.568 1.00 38.15 O
14
+ ATOM 11 CB ILE A 2 43.018 50.167 -69.605 1.00 39.36 C
15
+ ATOM 12 CG1 ILE A 2 42.994 50.930 -68.284 1.00 40.06 C
16
+ ATOM 13 CG2 ILE A 2 43.402 48.711 -69.378 1.00 40.23 C
17
+ ATOM 14 CD1 ILE A 2 42.019 50.393 -67.246 1.00 43.57 C
18
+ ATOM 15 N GLU A 3 44.041 53.340 -70.497 1.00 35.81 N
19
+ ATOM 16 CA GLU A 3 43.539 54.697 -70.928 1.00 36.48 C
20
+ ATOM 17 C GLU A 3 44.204 55.227 -72.150 1.00 38.01 C
21
+ ATOM 18 O GLU A 3 43.500 55.636 -73.081 1.00 42.90 O
22
+ ATOM 19 CB GLU A 3 43.762 55.753 -69.870 1.00 37.80 C
23
+ ATOM 20 CG GLU A 3 42.934 55.549 -68.688 1.00 38.91 C
24
+ ATOM 21 CD GLU A 3 41.469 55.946 -68.914 1.00 42.99 C
25
+ ATOM 22 OE1 GLU A 3 41.163 56.747 -69.821 1.00 42.70 O
26
+ ATOM 23 OE2 GLU A 3 40.612 55.471 -68.124 1.00 46.25 O
27
+ ATOM 24 N CYS A 4 45.553 55.307 -72.144 1.00 36.15 N
28
+ ATOM 25 CA CYS A 4 46.287 55.867 -73.276 1.00 35.29 C
29
+ ATOM 26 C CYS A 4 46.592 54.825 -74.375 1.00 35.17 C
30
+ ATOM 27 O CYS A 4 46.722 55.204 -75.513 1.00 37.37 O
31
+ ATOM 28 CB CYS A 4 47.603 56.611 -72.840 1.00 34.77 C
32
+ ATOM 29 SG CYS A 4 48.827 55.561 -72.053 0.99 31.91 S
33
+ ATOM 30 N HIS A 5 46.716 53.545 -74.045 1.00 34.71 N
34
+ ATOM 31 CA HIS A 5 47.162 52.510 -74.968 1.00 36.70 C
35
+ ATOM 32 C HIS A 5 48.608 52.655 -75.502 1.00 37.14 C
36
+ ATOM 33 O HIS A 5 48.981 52.014 -76.454 1.00 38.78 O
37
+ ATOM 34 CB HIS A 5 46.156 52.321 -76.123 1.00 39.06 C
38
+ ATOM 35 CG HIS A 5 44.732 52.360 -75.667 1.00 41.16 C
39
+ ATOM 36 ND1 HIS A 5 44.113 51.285 -75.048 1.00 44.37 N
40
+ ATOM 37 CD2 HIS A 5 43.835 53.372 -75.651 1.00 42.30 C
41
+ ATOM 38 CE1 HIS A 5 42.884 51.628 -74.707 1.00 43.32 C
42
+ ATOM 39 NE2 HIS A 5 42.685 52.883 -75.079 1.00 43.13 N
43
+ ATOM 40 N ILE A 6 49.440 53.386 -74.784 1.00 36.35 N
44
+ ATOM 41 CA ILE A 6 50.789 53.707 -75.192 1.00 36.25 C
45
+ ATOM 42 C ILE A 6 51.820 53.274 -74.169 1.00 34.45 C
46
+ ATOM 43 O ILE A 6 52.719 52.530 -74.497 1.00 33.77 O
47
+ ATOM 44 CB ILE A 6 50.834 55.214 -75.517 1.00 37.99 C
48
+ ATOM 45 CG1 ILE A 6 50.138 55.362 -76.891 1.00 40.64 C
49
+ ATOM 46 CG2 ILE A 6 52.259 55.739 -75.627 1.00 38.24 C
50
+ ATOM 47 CD1 ILE A 6 49.571 56.731 -77.151 1.00 43.82 C
51
+ ATOM 48 N ASN A 7 51.651 53.734 -72.914 1.00 34.82 N
52
+ ATOM 49 CA ASN A 7 52.602 53.495 -71.847 1.00 32.75 C
53
+ ATOM 50 C ASN A 7 52.574 52.010 -71.469 1.00 32.73 C
54
+ ATOM 51 O ASN A 7 51.512 51.334 -71.511 1.00 32.06 O
55
+ ATOM 52 CB ASN A 7 52.320 54.478 -70.650 1.00 32.37 C
56
+ ATOM 53 CG ASN A 7 53.176 55.747 -70.715 1.00 33.78 C
57
+ ATOM 54 OD1 ASN A 7 54.324 55.739 -71.271 1.00 36.69 O
58
+ ATOM 55 ND2 ASN A 7 52.687 56.827 -70.108 1.00 34.84 N
59
+ ATOM 56 N ILE A 8 53.720 51.485 -71.110 1.00 33.79 N
60
+ ATOM 57 CA ILE A 8 53.798 50.110 -70.636 1.00 37.08 C
61
+ ATOM 58 C ILE A 8 54.157 49.989 -69.142 1.00 38.69 C
62
+ ATOM 59 O ILE A 8 54.155 48.901 -68.607 1.00 39.17 O
63
+ ATOM 60 CB ILE A 8 54.734 49.219 -71.479 1.00 38.78 C
64
+ ATOM 61 CG1 ILE A 8 56.178 49.658 -71.400 1.00 41.74 C
65
+ ATOM 62 CG2 ILE A 8 54.285 49.162 -72.927 1.00 39.21 C
66
+ ATOM 63 CD1 ILE A 8 57.068 48.847 -72.301 1.00 43.45 C
67
+ ATOM 64 N GLU A 9 54.436 51.106 -68.486 1.00 39.19 N
68
+ ATOM 65 CA GLU A 9 54.898 51.101 -67.159 1.00 40.93 C
69
+ ATOM 66 C GLU A 9 53.742 51.672 -66.398 1.00 38.83 C
70
+ ATOM 67 O GLU A 9 53.391 52.839 -66.566 1.00 39.33 O
71
+ ATOM 68 CB GLU A 9 56.159 51.924 -67.036 1.00 44.57 C
72
+ ATOM 69 CG GLU A 9 57.399 51.109 -67.381 1.00 50.12 C
73
+ ATOM 70 CD GLU A 9 58.535 51.341 -66.358 1.00 59.62 C
74
+ ATOM 71 OE1 GLU A 9 58.333 51.210 -65.063 1.00 59.10 O
75
+ ATOM 72 OE2 GLU A 9 59.641 51.692 -66.864 1.00 63.95 O
76
+ ATOM 73 N MET A 10 53.142 50.850 -65.565 1.00 36.33 N
77
+ ATOM 74 CA MET A 10 51.939 51.237 -64.855 1.00 35.28 C
78
+ ATOM 75 C MET A 10 52.250 51.952 -63.546 1.00 35.47 C
79
+ ATOM 76 O MET A 10 53.362 51.943 -63.022 1.00 34.64 O
80
+ ATOM 77 CB MET A 10 51.055 50.026 -64.617 1.00 36.27 C
81
+ ATOM 78 CG MET A 10 50.763 49.176 -65.846 1.00 38.00 C
82
+ ATOM 79 SD MET A 10 49.930 50.106 -67.126 1.00 40.90 S
83
+ ATOM 80 CE MET A 10 50.489 49.149 -68.576 1.00 43.89 C
84
+ ATOM 81 N ASP A 11 51.239 52.599 -63.010 1.00 35.11 N
85
+ ATOM 82 CA ASP A 11 51.414 53.325 -61.796 1.00 35.16 C
86
+ ATOM 83 C ASP A 11 51.518 52.232 -60.739 1.00 33.81 C
87
+ ATOM 84 O ASP A 11 50.612 51.375 -60.661 1.00 32.18 O
88
+ ATOM 85 CB ASP A 11 50.208 54.208 -61.521 1.00 36.56 C
89
+ ATOM 86 CG ASP A 11 50.352 54.952 -60.220 1.00 40.52 C
90
+ ATOM 87 OD1 ASP A 11 51.283 55.783 -60.170 1.00 46.89 O
91
+ ATOM 88 OD2 ASP A 11 49.662 54.606 -59.228 1.00 40.36 O
92
+ ATOM 89 N PRO A 12 52.577 52.257 -59.914 1.00 32.48 N
93
+ ATOM 90 CA PRO A 12 52.698 51.185 -58.925 1.00 32.78 C
94
+ ATOM 91 C PRO A 12 51.524 51.041 -57.991 1.00 31.67 C
95
+ ATOM 92 O PRO A 12 51.085 49.943 -57.783 1.00 32.99 O
96
+ ATOM 93 CB PRO A 12 53.955 51.602 -58.135 1.00 34.95 C
97
+ ATOM 94 CG PRO A 12 54.810 52.252 -59.223 1.00 34.72 C
98
+ ATOM 95 CD PRO A 12 53.775 53.103 -59.919 1.00 33.92 C
99
+ ATOM 96 N VAL A 13 51.000 52.136 -57.456 1.00 31.82 N
100
+ ATOM 97 CA VAL A 13 49.893 52.060 -56.558 1.00 31.32 C
101
+ ATOM 98 C VAL A 13 48.608 51.563 -57.194 1.00 30.46 C
102
+ ATOM 99 O VAL A 13 48.002 50.587 -56.698 1.00 28.86 O
103
+ ATOM 100 CB VAL A 13 49.656 53.399 -55.843 1.00 33.25 C
104
+ ATOM 101 CG1 VAL A 13 48.306 53.438 -55.131 1.00 33.70 C
105
+ ATOM 102 CG2 VAL A 13 50.741 53.582 -54.789 1.00 34.04 C
106
+ ATOM 103 N LEU A 14 48.187 52.189 -58.290 1.00 30.10 N
107
+ ATOM 104 CA LEU A 14 46.993 51.716 -58.980 1.00 30.30 C
108
+ ATOM 105 C LEU A 14 47.089 50.263 -59.525 1.00 29.90 C
109
+ ATOM 106 O LEU A 14 46.097 49.557 -59.561 1.00 29.20 O
110
+ ATOM 107 CB LEU A 14 46.640 52.634 -60.130 1.00 31.35 C
111
+ ATOM 108 CG LEU A 14 46.383 54.077 -59.701 1.00 33.54 C
112
+ ATOM 109 CD1 LEU A 14 46.270 54.889 -60.971 1.00 34.59 C
113
+ ATOM 110 CD2 LEU A 14 45.144 54.196 -58.801 1.00 33.92 C
114
+ ATOM 111 N HIS A 15 48.243 49.892 -60.017 1.00 29.27 N
115
+ ATOM 112 CA HIS A 15 48.482 48.555 -60.488 1.00 32.54 C
116
+ ATOM 113 C HIS A 15 48.502 47.547 -59.322 1.00 34.01 C
117
+ ATOM 114 O HIS A 15 47.671 46.659 -59.279 1.00 36.11 O
118
+ ATOM 115 CB HIS A 15 49.828 48.472 -61.286 1.00 34.20 C
119
+ ATOM 116 CG HIS A 15 50.087 47.123 -61.840 1.00 36.75 C
120
+ ATOM 117 ND1 HIS A 15 50.715 46.138 -61.098 1.00 40.20 N
121
+ ATOM 118 CD2 HIS A 15 49.637 46.523 -62.965 1.00 37.94 C
122
+ ATOM 119 CE1 HIS A 15 50.729 45.016 -61.798 1.00 40.51 C
123
+ ATOM 120 NE2 HIS A 15 50.105 45.235 -62.942 1.00 40.22 N
124
+ ATOM 121 N ASP A 16 49.427 47.703 -58.413 1.00 33.31 N
125
+ ATOM 122 CA ASP A 16 49.632 46.717 -57.346 1.00 35.86 C
126
+ ATOM 123 C ASP A 16 48.523 46.758 -56.300 1.00 34.67 C
127
+ ATOM 124 O ASP A 16 48.082 45.718 -55.882 1.00 34.69 O
128
+ ATOM 125 CB ASP A 16 50.941 46.912 -56.643 1.00 36.22 C
129
+ ATOM 126 CG ASP A 16 52.120 46.913 -57.593 1.00 40.10 C
130
+ ATOM 127 OD1 ASP A 16 52.013 46.554 -58.802 1.00 46.33 O
131
+ ATOM 128 OD2 ASP A 16 53.223 47.255 -57.157 1.00 43.44 O
132
+ ATOM 129 N VAL A 17 48.028 47.925 -55.903 1.00 31.75 N
133
+ ATOM 130 CA VAL A 17 47.044 47.914 -54.875 1.00 31.53 C
134
+ ATOM 131 C VAL A 17 45.688 47.781 -55.475 1.00 31.86 C
135
+ ATOM 132 O VAL A 17 44.924 46.994 -54.980 1.00 31.95 O
136
+ ATOM 133 CB VAL A 17 47.078 49.159 -53.980 1.00 32.21 C
137
+ ATOM 134 CG1 VAL A 17 45.852 49.197 -53.088 1.00 32.80 C
138
+ ATOM 135 CG2 VAL A 17 48.375 49.148 -53.172 1.00 33.45 C
139
+ ATOM 136 N PHE A 18 45.361 48.530 -56.539 1.00 30.21 N
140
+ ATOM 137 CA PHE A 18 43.967 48.539 -56.999 1.00 29.54 C
141
+ ATOM 138 C PHE A 18 43.787 47.635 -58.239 1.00 30.60 C
142
+ ATOM 139 O PHE A 18 42.683 47.497 -58.729 1.00 31.87 O
143
+ ATOM 140 CB PHE A 18 43.474 50.018 -57.228 1.00 29.53 C
144
+ ATOM 141 CG PHE A 18 43.490 50.861 -55.986 1.00 29.23 C
145
+ ATOM 142 CD1 PHE A 18 44.631 51.547 -55.604 1.00 29.37 C
146
+ ATOM 143 CD2 PHE A 18 42.375 50.916 -55.126 1.00 30.16 C
147
+ ATOM 144 CE1 PHE A 18 44.651 52.339 -54.428 1.00 30.47 C
148
+ ATOM 145 CE2 PHE A 18 42.413 51.699 -53.940 1.00 30.30 C
149
+ ATOM 146 CZ PHE A 18 43.561 52.368 -53.559 1.00 29.35 C
150
+ ATOM 147 N LYS A 19 44.848 46.989 -58.718 1.00 32.14 N
151
+ ATOM 148 CA LYS A 19 44.743 46.039 -59.920 1.00 34.95 C
152
+ ATOM 149 C LYS A 19 44.253 46.750 -61.199 1.00 34.50 C
153
+ ATOM 150 O LYS A 19 43.531 46.205 -61.974 1.00 37.36 O
154
+ ATOM 151 CB LYS A 19 43.831 44.829 -59.632 1.00 36.71 C
155
+ ATOM 152 CG LYS A 19 43.895 44.316 -58.221 1.00 39.56 C
156
+ ATOM 153 CD LYS A 19 45.318 44.000 -57.809 1.00 40.81 C
157
+ ATOM 154 CE LYS A 19 45.292 43.363 -56.430 1.00 44.53 C
158
+ ATOM 155 NZ LYS A 19 46.706 43.124 -56.044 1.00 45.56 N
159
+ ATOM 156 N LEU A 20 44.600 48.003 -61.363 1.00 34.67 N
160
+ ATOM 157 CA LEU A 20 44.232 48.769 -62.550 1.00 34.96 C
161
+ ATOM 158 C LEU A 20 45.466 48.900 -63.405 1.00 35.07 C
162
+ ATOM 159 O LEU A 20 46.520 49.266 -62.903 1.00 33.83 O
163
+ ATOM 160 CB LEU A 20 43.759 50.148 -62.154 1.00 34.61 C
164
+ ATOM 161 CG LEU A 20 42.356 50.124 -61.578 1.00 35.74 C
165
+ ATOM 162 CD1 LEU A 20 41.945 51.451 -60.904 1.00 36.88 C
166
+ ATOM 163 CD2 LEU A 20 41.411 49.768 -62.713 1.00 38.25 C
167
+ ATOM 164 N GLN A 21 45.340 48.525 -64.670 1.00 38.79 N
168
+ ATOM 165 CA GLN A 21 46.452 48.644 -65.647 1.00 41.30 C
169
+ ATOM 166 C GLN A 21 46.559 50.062 -66.203 1.00 37.04 C
170
+ ATOM 167 O GLN A 21 46.288 50.304 -67.400 1.00 35.18 O
171
+ ATOM 168 CB GLN A 21 46.199 47.667 -66.791 1.00 47.76 C
172
+ ATOM 169 CG GLN A 21 46.665 46.252 -66.509 1.00 56.34 C
173
+ ATOM 170 CD GLN A 21 48.163 46.154 -66.671 1.00 64.35 C
174
+ ATOM 171 OE1 GLN A 21 48.753 46.861 -67.501 1.00 71.07 O
175
+ ATOM 172 NE2 GLN A 21 48.793 45.309 -65.874 1.00 71.21 N
176
+ ATOM 173 N VAL A 22 46.902 51.012 -65.321 1.00 34.98 N
177
+ ATOM 174 CA VAL A 22 46.804 52.494 -65.593 1.00 32.61 C
178
+ ATOM 175 C VAL A 22 48.155 53.121 -65.280 1.00 30.51 C
179
+ ATOM 176 O VAL A 22 48.799 52.830 -64.234 1.00 28.35 O
180
+ ATOM 177 CB VAL A 22 45.630 53.114 -64.814 1.00 34.29 C
181
+ ATOM 178 CG1 VAL A 22 45.510 54.640 -64.928 1.00 34.01 C
182
+ ATOM 179 CG2 VAL A 22 44.354 52.532 -65.391 1.00 36.93 C
183
+ ATOM 180 N CYS A 23 48.586 53.954 -66.213 1.00 28.54 N
184
+ ATOM 181 CA CYS A 23 49.855 54.635 -66.068 1.00 28.36 C
185
+ ATOM 182 C CYS A 23 49.651 55.873 -65.167 1.00 28.73 C
186
+ ATOM 183 O CYS A 23 48.514 56.341 -65.013 1.00 27.58 O
187
+ ATOM 184 CB CYS A 23 50.470 54.931 -67.429 1.00 27.12 C
188
+ ATOM 185 SG CYS A 23 49.926 56.385 -68.309 1.00 27.17 S
189
+ ATOM 186 N LYS A 24 50.737 56.341 -64.572 1.00 28.97 N
190
+ ATOM 187 CA LYS A 24 50.747 57.449 -63.681 1.00 31.02 C
191
+ ATOM 188 C LYS A 24 50.292 58.717 -64.387 1.00 30.75 C
192
+ ATOM 189 O LYS A 24 49.529 59.468 -63.856 1.00 29.59 O
193
+ ATOM 190 CB LYS A 24 52.176 57.653 -63.089 1.00 34.45 C
194
+ ATOM 191 CG LYS A 24 52.223 58.820 -62.086 1.00 40.02 C
195
+ ATOM 192 CD LYS A 24 53.200 58.636 -60.905 1.00 47.90 C
196
+ ATOM 193 CE LYS A 24 54.594 58.061 -61.301 1.00 53.60 C
197
+ ATOM 194 NZ LYS A 24 54.800 56.553 -61.422 1.00 56.21 N
198
+ ATOM 195 N GLN A 25 50.766 58.994 -65.606 1.00 31.47 N
199
+ ATOM 196 CA GLN A 25 50.298 60.242 -66.320 1.00 30.28 C
200
+ ATOM 197 C GLN A 25 48.719 60.222 -66.499 1.00 30.59 C
201
+ ATOM 198 O GLN A 25 48.010 61.218 -66.337 1.00 31.93 O
202
+ ATOM 199 CB GLN A 25 50.993 60.334 -67.679 1.00 30.14 C
203
+ ATOM 200 CG GLN A 25 50.575 61.536 -68.500 1.00 30.84 C
204
+ ATOM 201 CD GLN A 25 51.490 61.780 -69.689 1.00 31.17 C
205
+ ATOM 202 OE1 GLN A 25 52.252 60.946 -70.080 1.00 30.58 O
206
+ ATOM 203 NE2 GLN A 25 51.339 62.922 -70.301 1.00 32.23 N
207
+ ATOM 204 N CYS A 26 48.208 59.058 -66.822 1.00 30.97 N
208
+ ATOM 205 CA CYS A 26 46.786 58.867 -67.099 1.00 32.31 C
209
+ ATOM 206 C CYS A 26 45.958 58.943 -65.810 1.00 32.12 C
210
+ ATOM 207 O CYS A 26 44.902 59.498 -65.835 1.00 31.54 O
211
+ ATOM 208 CB CYS A 26 46.539 57.555 -67.821 1.00 32.36 C
212
+ ATOM 209 SG CYS A 26 46.993 57.548 -69.609 1.00 31.25 S
213
+ TER 210 CYS A 26
214
+ END
motif_pdbs/5M6B_PS00497_c2.pdb ADDED
@@ -0,0 +1,166 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 B82-99 -> A1-18
4
+ ATOM 1 N HIS A 1 -33.616 -13.573 21.472 1.00129.76 N
5
+ ATOM 2 CA HIS A 1 -32.375 -14.315 21.317 1.00125.59 C
6
+ ATOM 3 C HIS A 1 -31.459 -14.072 22.509 1.00126.36 C
7
+ ATOM 4 O HIS A 1 -31.487 -13.004 23.129 1.00130.17 O
8
+ ATOM 5 CB HIS A 1 -31.656 -13.932 20.020 1.00134.00 C
9
+ ATOM 6 CG HIS A 1 -32.459 -14.193 18.784 1.00132.02 C
10
+ ATOM 7 ND1 HIS A 1 -33.313 -13.258 18.240 1.00134.32 N
11
+ ATOM 8 CD2 HIS A 1 -32.544 -15.287 17.990 1.00127.97 C
12
+ ATOM 9 CE1 HIS A 1 -33.884 -13.762 17.161 1.00131.94 C
13
+ ATOM 10 NE2 HIS A 1 -33.436 -14.992 16.988 1.00128.27 N
14
+ ATOM 11 N SER A 2 -30.651 -15.088 22.826 1.00121.37 N
15
+ ATOM 12 CA SER A 2 -29.678 -15.033 23.920 1.00120.84 C
16
+ ATOM 13 C SER A 2 -30.364 -14.822 25.270 1.00122.35 C
17
+ ATOM 14 O SER A 2 -29.994 -13.946 26.054 1.00124.50 O
18
+ ATOM 15 CB SER A 2 -28.622 -13.953 23.666 1.00120.87 C
19
+ ATOM 16 OG SER A 2 -27.860 -14.243 22.507 1.00119.44 O
20
+ ATOM 17 N GLN A 3 -31.377 -15.642 25.536 1.00115.53 N
21
+ ATOM 18 CA GLN A 3 -32.078 -15.622 26.813 1.00116.91 C
22
+ ATOM 19 C GLN A 3 -32.744 -16.977 27.013 1.00114.02 C
23
+ ATOM 20 O GLN A 3 -32.599 -17.890 26.195 1.00110.78 O
24
+ ATOM 21 CB GLN A 3 -33.100 -14.484 26.874 1.00121.32 C
25
+ ATOM 22 CG GLN A 3 -34.285 -14.667 25.944 1.00123.49 C
26
+ ATOM 23 CD GLN A 3 -35.134 -13.419 25.838 1.00129.85 C
27
+ ATOM 24 OE1 GLN A 3 -36.346 -13.460 26.046 1.00133.18 O
28
+ ATOM 25 NE2 GLN A 3 -34.501 -12.299 25.511 1.00131.69 N
29
+ ATOM 26 N VAL A 4 -33.484 -17.101 28.118 1.00110.31 N
30
+ ATOM 27 CA VAL A 4 -34.129 -18.368 28.461 1.00108.27 C
31
+ ATOM 28 C VAL A 4 -35.407 -18.620 27.679 1.00110.51 C
32
+ ATOM 29 O VAL A 4 -35.928 -19.742 27.714 1.00108.90 O
33
+ ATOM 30 CB VAL A 4 -34.447 -18.435 29.967 1.00110.59 C
34
+ ATOM 31 CG1 VAL A 4 -33.167 -18.334 30.786 1.00108.05 C
35
+ ATOM 32 CG2 VAL A 4 -35.426 -17.335 30.353 1.00116.08 C
36
+ ATOM 33 N LEU A 5 -35.934 -17.616 26.979 1.00109.57 N
37
+ ATOM 34 CA LEU A 5 -37.195 -17.739 26.260 1.00112.52 C
38
+ ATOM 35 C LEU A 5 -37.009 -18.039 24.777 1.00109.60 C
39
+ ATOM 36 O LEU A 5 -37.981 -17.981 24.018 1.00111.68 O
40
+ ATOM 37 CB LEU A 5 -38.015 -16.458 26.423 1.00112.39 C
41
+ ATOM 38 CG LEU A 5 -38.476 -16.114 27.840 1.00116.10 C
42
+ ATOM 39 CD1 LEU A 5 -39.328 -14.856 27.834 1.00122.46 C
43
+ ATOM 40 CD2 LEU A 5 -39.235 -17.278 28.457 1.00115.45 C
44
+ ATOM 41 N PHE A 6 -35.786 -18.359 24.350 1.00114.40 N
45
+ ATOM 42 CA PHE A 6 -35.520 -18.593 22.931 1.00111.76 C
46
+ ATOM 43 C PHE A 6 -36.295 -19.783 22.368 1.00109.94 C
47
+ ATOM 44 O PHE A 6 -37.050 -19.603 21.393 1.00111.23 O
48
+ ATOM 45 CB PHE A 6 -34.003 -18.717 22.738 1.00116.23 C
49
+ ATOM 46 CG PHE A 6 -33.586 -19.177 21.371 1.00113.24 C
50
+ ATOM 47 CD1 PHE A 6 -33.535 -18.287 20.311 1.00114.67 C
51
+ ATOM 48 CD2 PHE A 6 -33.208 -20.491 21.153 1.00109.36 C
52
+ ATOM 49 CE1 PHE A 6 -33.138 -18.706 19.054 1.00112.06 C
53
+ ATOM 50 CE2 PHE A 6 -32.810 -20.916 19.900 1.00107.15 C
54
+ ATOM 51 CZ PHE A 6 -32.775 -20.022 18.849 1.00108.41 C
55
+ ATOM 52 N PRO A 7 -36.193 -20.998 22.930 1.00103.41 N
56
+ ATOM 53 CA PRO A 7 -36.861 -22.142 22.282 1.00102.31 C
57
+ ATOM 54 C PRO A 7 -38.378 -22.050 22.278 1.00106.87 C
58
+ ATOM 55 O PRO A 7 -39.006 -22.425 21.281 1.00107.26 O
59
+ ATOM 56 CB PRO A 7 -36.367 -23.346 23.101 1.00100.96 C
60
+ ATOM 57 CG PRO A 7 -35.165 -22.856 23.843 1.00 99.33 C
61
+ ATOM 58 CD PRO A 7 -35.463 -21.427 24.136 1.00103.02 C
62
+ ATOM 59 N THR A 8 -38.990 -21.573 23.365 1.00104.95 N
63
+ ATOM 60 CA THR A 8 -40.449 -21.532 23.433 1.00110.19 C
64
+ ATOM 61 C THR A 8 -41.016 -20.479 22.487 1.00112.93 C
65
+ ATOM 62 O THR A 8 -41.994 -20.734 21.765 1.00114.96 O
66
+ ATOM 63 CB THR A 8 -40.896 -21.264 24.870 1.00110.31 C
67
+ ATOM 64 OG1 THR A 8 -40.219 -20.105 25.371 1.00110.98 O
68
+ ATOM 65 CG2 THR A 8 -40.570 -22.457 25.760 1.00107.64 C
69
+ ATOM 66 N TRP A 9 -40.401 -19.294 22.466 1.00112.62 N
70
+ ATOM 67 CA TRP A 9 -40.844 -18.242 21.560 1.00114.73 C
71
+ ATOM 68 C TRP A 9 -40.696 -18.690 20.113 1.00111.27 C
72
+ ATOM 69 O TRP A 9 -41.633 -18.571 19.312 1.00113.09 O
73
+ ATOM 70 CB TRP A 9 -40.049 -16.962 21.819 1.00118.13 C
74
+ ATOM 71 CG TRP A 9 -40.573 -15.767 21.095 1.00120.61 C
75
+ ATOM 72 CD1 TRP A 9 -41.450 -14.840 21.574 1.00125.10 C
76
+ ATOM 73 CD2 TRP A 9 -40.262 -15.370 19.754 1.00118.37 C
77
+ ATOM 74 NE1 TRP A 9 -41.703 -13.889 20.616 1.00125.42 N
78
+ ATOM 75 CE2 TRP A 9 -40.985 -14.191 19.489 1.00121.56 C
79
+ ATOM 76 CE3 TRP A 9 -39.440 -15.897 18.752 1.00113.96 C
80
+ ATOM 77 CZ2 TRP A 9 -40.913 -13.531 18.265 1.00120.66 C
81
+ ATOM 78 CZ3 TRP A 9 -39.369 -15.240 17.538 1.00113.67 C
82
+ ATOM 79 CH2 TRP A 9 -40.102 -14.070 17.305 1.00117.47 C
83
+ ATOM 80 N HIS A 10 -39.529 -19.239 19.765 1.00114.11 N
84
+ ATOM 81 CA HIS A 10 -39.400 -19.780 18.417 1.00111.15 C
85
+ ATOM 82 C HIS A 10 -40.206 -21.057 18.215 1.00111.23 C
86
+ ATOM 83 O HIS A 10 -40.217 -21.591 17.101 1.00109.37 O
87
+ ATOM 84 CB HIS A 10 -37.929 -20.020 18.082 1.00118.36 C
88
+ ATOM 85 CG HIS A 10 -37.156 -18.760 17.855 1.00118.84 C
89
+ ATOM 86 ND1 HIS A 10 -36.549 -18.066 18.879 1.00120.22 N
90
+ ATOM 87 CD2 HIS A 10 -36.922 -18.047 16.727 1.00118.69 C
91
+ ATOM 88 CE1 HIS A 10 -35.956 -16.992 18.389 1.00121.12 C
92
+ ATOM 89 NE2 HIS A 10 -36.168 -16.957 17.086 1.00120.07 N
93
+ ATOM 90 N ARG A 11 -40.877 -21.556 19.255 1.00108.75 N
94
+ ATOM 91 CA ARG A 11 -41.798 -22.674 19.085 1.00110.39 C
95
+ ATOM 92 C ARG A 11 -43.170 -22.189 18.635 1.00115.37 C
96
+ ATOM 93 O ARG A 11 -43.719 -22.691 17.648 1.00115.77 O
97
+ ATOM 94 CB ARG A 11 -41.909 -23.477 20.382 1.00100.28 C
98
+ ATOM 95 CG ARG A 11 -43.174 -24.316 20.486 1.00104.75 C
99
+ ATOM 96 CD ARG A 11 -43.020 -25.420 21.519 1.00104.55 C
100
+ ATOM 97 NE ARG A 11 -42.111 -26.467 21.060 1.00 99.66 N
101
+ ATOM 98 CZ ARG A 11 -41.849 -27.582 21.734 1.00 98.76 C
102
+ ATOM 99 NH1 ARG A 11 -42.426 -27.803 22.907 1.00102.11 N
103
+ ATOM 100 NH2 ARG A 11 -41.008 -28.478 21.237 1.00 94.81 N
104
+ ATOM 101 N VAL A 12 -43.746 -21.217 19.350 1.00110.97 N
105
+ ATOM 102 CA VAL A 12 -45.061 -20.717 18.943 1.00115.62 C
106
+ ATOM 103 C VAL A 12 -44.963 -19.893 17.656 1.00114.08 C
107
+ ATOM 104 O VAL A 12 -45.908 -19.864 16.841 1.00116.20 O
108
+ ATOM 105 CB VAL A 12 -45.691 -19.920 20.102 1.00115.30 C
109
+ ATOM 106 CG1 VAL A 12 -44.783 -18.774 20.524 1.00113.95 C
110
+ ATOM 107 CG2 VAL A 12 -47.075 -19.415 19.726 1.00119.87 C
111
+ ATOM 108 N TYR A 13 -43.812 -19.243 17.434 1.00119.28 N
112
+ ATOM 109 CA TYR A 13 -43.613 -18.450 16.223 1.00117.90 C
113
+ ATOM 110 C TYR A 13 -43.768 -19.289 14.961 1.00115.87 C
114
+ ATOM 111 O TYR A 13 -44.218 -18.778 13.929 1.00116.59 O
115
+ ATOM 112 CB TYR A 13 -42.236 -17.786 16.258 1.00119.88 C
116
+ ATOM 113 CG TYR A 13 -41.967 -16.851 15.101 1.00119.21 C
117
+ ATOM 114 CD1 TYR A 13 -42.950 -15.992 14.629 1.00122.35 C
118
+ ATOM 115 CD2 TYR A 13 -40.723 -16.822 14.485 1.00115.59 C
119
+ ATOM 116 CE1 TYR A 13 -42.704 -15.133 13.574 1.00121.79 C
120
+ ATOM 117 CE2 TYR A 13 -40.467 -15.967 13.430 1.00117.04 C
121
+ ATOM 118 CZ TYR A 13 -41.460 -15.124 12.980 1.00120.52 C
122
+ ATOM 119 OH TYR A 13 -41.212 -14.272 11.929 1.00124.08 O
123
+ ATOM 120 N VAL A 14 -43.401 -20.568 15.016 1.00116.72 N
124
+ ATOM 121 CA VAL A 14 -43.651 -21.442 13.877 1.00115.46 C
125
+ ATOM 122 C VAL A 14 -45.126 -21.815 13.810 1.00120.06 C
126
+ ATOM 123 O VAL A 14 -45.667 -22.048 12.720 1.00120.44 O
127
+ ATOM 124 CB VAL A 14 -42.753 -22.689 13.955 1.00117.78 C
128
+ ATOM 125 CG1 VAL A 14 -42.950 -23.577 12.734 1.00116.63 C
129
+ ATOM 126 CG2 VAL A 14 -41.294 -22.285 14.100 1.00113.67 C
130
+ ATOM 127 N SER A 15 -45.803 -21.850 14.960 1.00115.90 N
131
+ ATOM 128 CA SER A 15 -47.194 -22.286 14.991 1.00120.83 C
132
+ ATOM 129 C SER A 15 -48.115 -21.279 14.313 1.00123.48 C
133
+ ATOM 130 O SER A 15 -49.081 -21.673 13.650 1.00125.79 O
134
+ ATOM 131 CB SER A 15 -47.633 -22.533 16.433 1.00121.65 C
135
+ ATOM 132 OG SER A 15 -46.904 -23.607 17.001 1.00119.47 O
136
+ ATOM 133 N ILE A 16 -47.843 -19.977 14.461 1.00126.15 N
137
+ ATOM 134 CA ILE A 16 -48.709 -19.005 13.787 1.00128.53 C
138
+ ATOM 135 C ILE A 16 -48.540 -19.086 12.268 1.00126.00 C
139
+ ATOM 136 O ILE A 16 -49.528 -19.100 11.515 1.00128.14 O
140
+ ATOM 137 CB ILE A 16 -48.454 -17.582 14.322 1.00128.88 C
141
+ ATOM 138 CG1 ILE A 16 -49.277 -16.559 13.534 1.00131.03 C
142
+ ATOM 139 CG2 ILE A 16 -46.973 -17.236 14.293 1.00124.65 C
143
+ ATOM 140 CD1 ILE A 16 -50.772 -16.779 13.618 1.00135.45 C
144
+ ATOM 141 N TYR A 17 -47.290 -19.166 11.798 1.00128.17 N
145
+ ATOM 142 CA TYR A 17 -47.015 -19.293 10.369 1.00125.69 C
146
+ ATOM 143 C TYR A 17 -47.655 -20.552 9.799 1.00126.15 C
147
+ ATOM 144 O TYR A 17 -48.241 -20.528 8.708 1.00126.82 O
148
+ ATOM 145 CB TYR A 17 -45.499 -19.295 10.154 1.00125.49 C
149
+ ATOM 146 CG TYR A 17 -45.018 -19.452 8.728 1.00123.29 C
150
+ ATOM 147 CD1 TYR A 17 -44.904 -18.353 7.887 1.00125.28 C
151
+ ATOM 148 CD2 TYR A 17 -44.638 -20.695 8.237 1.00121.20 C
152
+ ATOM 149 CE1 TYR A 17 -44.446 -18.491 6.589 1.00126.87 C
153
+ ATOM 150 CE2 TYR A 17 -44.180 -20.843 6.940 1.00121.40 C
154
+ ATOM 151 CZ TYR A 17 -44.086 -19.738 6.122 1.00125.07 C
155
+ ATOM 152 OH TYR A 17 -43.630 -19.880 4.832 1.00127.36 O
156
+ ATOM 153 N GLU A 18 -47.574 -21.657 10.543 1.00124.32 N
157
+ ATOM 154 CA GLU A 18 -48.227 -22.892 10.128 1.00125.48 C
158
+ ATOM 155 C GLU A 18 -49.741 -22.735 10.101 1.00130.65 C
159
+ ATOM 156 O GLU A 18 -50.412 -23.308 9.232 1.00131.54 O
160
+ ATOM 157 CB GLU A 18 -47.811 -24.020 11.072 1.00119.56 C
161
+ ATOM 158 CG GLU A 18 -48.243 -25.410 10.663 1.00120.19 C
162
+ ATOM 159 CD GLU A 18 -47.722 -26.465 11.621 1.00119.61 C
163
+ ATOM 160 OE1 GLU A 18 -47.741 -26.220 12.846 1.00121.61 O
164
+ ATOM 161 OE2 GLU A 18 -47.277 -27.532 11.151 1.00117.23 O
165
+ TER 162 GLU A 18
166
+ END
motif_pdbs/5NSS_PS00717_c1.pdb ADDED
@@ -0,0 +1,111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 M364-383 -> A1-20
4
+ ATOM 1 N PRO A 1 134.697 143.956 167.780 1.00438.89 N
5
+ ATOM 2 CA PRO A 1 134.023 144.943 166.929 1.00438.90 C
6
+ ATOM 3 C PRO A 1 133.421 146.090 167.726 1.00438.90 C
7
+ ATOM 4 O PRO A 1 133.153 145.980 168.924 1.00438.90 O
8
+ ATOM 5 CB PRO A 1 132.931 144.121 166.237 1.00457.61 C
9
+ ATOM 6 CG PRO A 1 132.619 143.039 167.215 1.00457.61 C
10
+ ATOM 7 CD PRO A 1 133.916 142.712 167.913 1.00457.61 C
11
+ ATOM 8 N MET A 2 133.213 147.206 167.031 1.00395.38 N
12
+ ATOM 9 CA MET A 2 132.527 148.369 167.586 1.00395.38 C
13
+ ATOM 10 C MET A 2 131.721 149.050 166.482 1.00395.39 C
14
+ ATOM 11 O MET A 2 132.137 149.053 165.324 1.00395.38 O
15
+ ATOM 12 CB MET A 2 133.522 149.348 168.210 1.00 20.00 C
16
+ ATOM 13 N VAL A 3 130.571 149.625 166.836 1.00389.01 N
17
+ ATOM 14 CA VAL A 3 129.677 150.172 165.822 1.00389.01 C
18
+ ATOM 15 C VAL A 3 129.671 151.692 165.896 1.00389.02 C
19
+ ATOM 16 O VAL A 3 129.114 152.280 166.833 1.00389.01 O
20
+ ATOM 17 CB VAL A 3 128.260 149.602 165.991 1.00310.88 C
21
+ ATOM 18 N LEU A 4 130.278 152.330 164.893 1.00461.97 N
22
+ ATOM 19 CA LEU A 4 130.257 153.779 164.715 1.00461.98 C
23
+ ATOM 20 C LEU A 4 130.618 154.539 165.986 1.00461.98 C
24
+ ATOM 21 O LEU A 4 130.001 155.565 166.295 1.00461.98 O
25
+ ATOM 22 CB LEU A 4 128.882 154.228 164.214 1.00473.70 C
26
+ ATOM 23 N ALA A 5 131.610 154.051 166.727 1.00490.22 N
27
+ ATOM 24 CA ALA A 5 132.027 154.679 167.975 1.00490.23 C
28
+ ATOM 25 C ALA A 5 133.476 155.149 167.939 1.00490.23 C
29
+ ATOM 26 O ALA A 5 133.739 156.356 167.983 1.00490.22 O
30
+ ATOM 27 CB ALA A 5 131.820 153.710 169.145 1.00456.08 C
31
+ ATOM 28 N ASP A 6 134.426 154.215 167.860 1.00448.48 N
32
+ ATOM 29 CA ASP A 6 135.836 154.591 167.857 1.00448.48 C
33
+ ATOM 30 C ASP A 6 136.202 155.364 166.597 1.00448.48 C
34
+ ATOM 31 O ASP A 6 137.119 156.193 166.615 1.00448.49 O
35
+ ATOM 32 CB ASP A 6 136.711 153.345 167.997 1.00308.99 C
36
+ ATOM 33 N ILE A 7 135.498 155.107 165.492 1.00432.25 N
37
+ ATOM 34 CA ILE A 7 135.761 155.843 164.257 1.00432.26 C
38
+ ATOM 35 C ILE A 7 135.198 157.254 164.359 1.00432.26 C
39
+ ATOM 36 O ILE A 7 135.740 158.206 163.784 1.00432.26 O
40
+ ATOM 37 CB ILE A 7 135.181 155.089 163.048 1.00285.38 C
41
+ ATOM 38 N ALA A 8 134.095 157.409 165.094 1.00461.20 N
42
+ ATOM 39 CA ALA A 8 133.495 158.728 165.255 1.00461.20 C
43
+ ATOM 40 C ALA A 8 134.241 159.554 166.296 1.00461.20 C
44
+ ATOM 41 O ALA A 8 134.193 160.790 166.267 1.00461.20 O
45
+ ATOM 42 CB ALA A 8 132.020 158.593 165.634 1.00482.72 C
46
+ ATOM 43 N GLN A 9 134.937 158.894 167.221 1.00518.57 N
47
+ ATOM 44 CA GLN A 9 135.634 159.600 168.290 1.00518.57 C
48
+ ATOM 45 C GLN A 9 137.120 159.751 167.987 1.00518.57 C
49
+ ATOM 46 O GLN A 9 137.602 160.865 167.754 1.00518.57 O
50
+ ATOM 47 CB GLN A 9 135.438 158.874 169.623 1.00531.13 C
51
+ ATOM 48 N ALA A 10 137.856 158.637 167.991 1.00640.27 N
52
+ ATOM 49 CA ALA A 10 139.301 158.694 167.793 1.00640.27 C
53
+ ATOM 50 C ALA A 10 139.657 159.086 166.362 1.00640.27 C
54
+ ATOM 51 O ALA A 10 140.456 160.004 166.144 1.00640.27 O
55
+ ATOM 52 CB ALA A 10 139.934 157.350 168.154 1.00692.64 C
56
+ ATOM 53 N VAL A 11 139.077 158.400 165.376 1.00673.09 N
57
+ ATOM 54 CA VAL A 11 139.387 158.700 163.981 1.00673.09 C
58
+ ATOM 55 C VAL A 11 138.741 160.016 163.565 1.00673.09 C
59
+ ATOM 56 O VAL A 11 139.281 160.757 162.735 1.00673.09 O
60
+ ATOM 57 CB VAL A 11 138.944 157.542 163.070 1.00646.30 C
61
+ ATOM 58 N GLU A 12 137.578 160.324 164.142 1.00588.96 N
62
+ ATOM 59 CA GLU A 12 136.822 161.533 163.828 1.00588.96 C
63
+ ATOM 60 C GLU A 12 136.555 161.638 162.332 1.00588.96 C
64
+ ATOM 61 O GLU A 12 137.034 162.566 161.671 1.00588.97 O
65
+ ATOM 62 CB GLU A 12 137.560 162.778 164.328 1.00553.44 C
66
+ ATOM 63 N MET A 13 135.792 160.694 161.791 1.00536.77 N
67
+ ATOM 64 CA MET A 13 135.493 160.668 160.365 1.00536.77 C
68
+ ATOM 65 C MET A 13 134.033 160.308 160.112 1.00536.77 C
69
+ ATOM 66 O MET A 13 133.252 160.140 161.049 1.00536.77 O
70
+ ATOM 67 CB MET A 13 136.410 159.680 159.643 1.00 20.00 C
71
+ ATOM 68 N HIS A 14 133.676 160.187 158.837 1.00524.27 N
72
+ ATOM 69 CA HIS A 14 132.314 159.838 158.469 1.00524.27 C
73
+ ATOM 70 C HIS A 14 132.139 158.322 158.422 1.00524.27 C
74
+ ATOM 71 O HIS A 14 133.031 157.575 158.011 1.00524.27 O
75
+ ATOM 72 CB HIS A 14 131.949 160.452 157.118 1.00514.39 C
76
+ ATOM 73 N GLU A 15 130.962 157.872 158.861 1.00503.61 N
77
+ ATOM 74 CA GLU A 15 130.631 156.453 158.856 1.00503.61 C
78
+ ATOM 75 C GLU A 15 130.626 155.855 157.457 1.00503.61 C
79
+ ATOM 76 O GLU A 15 130.948 154.672 157.297 1.00503.61 O
80
+ ATOM 77 CB GLU A 15 129.265 156.227 159.511 1.00459.60 C
81
+ ATOM 78 N SER A 16 130.266 156.643 156.442 1.00599.35 N
82
+ ATOM 79 CA SER A 16 130.304 156.146 155.070 1.00599.35 C
83
+ ATOM 80 C SER A 16 131.739 155.902 154.619 1.00599.35 C
84
+ ATOM 81 O SER A 16 132.029 154.919 153.927 1.00599.35 O
85
+ ATOM 82 CB SER A 16 129.601 157.132 154.137 1.00432.17 C
86
+ ATOM 83 OG SER A 16 128.224 157.239 154.452 1.00432.17 O
87
+ ATOM 84 N THR A 17 132.655 156.792 155.010 1.00742.87 N
88
+ ATOM 85 CA THR A 17 134.060 156.604 154.664 1.00742.87 C
89
+ ATOM 86 C THR A 17 134.675 155.442 155.434 1.00742.87 C
90
+ ATOM 87 O THR A 17 135.413 154.638 154.852 1.00742.87 O
91
+ ATOM 88 CB THR A 17 134.847 157.887 154.929 1.00714.40 C
92
+ ATOM 89 OG1 THR A 17 134.732 158.245 156.312 1.00714.40 O
93
+ ATOM 90 CG2 THR A 17 134.312 159.026 154.072 1.00714.40 C
94
+ ATOM 91 N ILE A 18 134.381 155.334 156.731 1.00730.04 N
95
+ ATOM 92 CA ILE A 18 134.917 154.233 157.528 1.00730.04 C
96
+ ATOM 93 C ILE A 18 134.396 152.898 157.010 1.00730.04 C
97
+ ATOM 94 O ILE A 18 135.142 151.916 156.914 1.00730.04 O
98
+ ATOM 95 CB ILE A 18 134.577 154.433 159.016 1.00616.39 C
99
+ ATOM 96 N SER A 19 133.107 152.842 156.667 1.00684.08 N
100
+ ATOM 97 CA SER A 19 132.545 151.613 156.116 1.00684.07 C
101
+ ATOM 98 C SER A 19 133.103 151.314 154.730 1.00684.07 C
102
+ ATOM 99 O SER A 19 133.270 150.144 154.372 1.00684.07 O
103
+ ATOM 100 CB SER A 19 131.020 151.707 156.066 1.00507.99 C
104
+ ATOM 101 OG SER A 19 130.601 152.740 155.192 1.00507.99 O
105
+ ATOM 102 N ARG A 20 133.394 152.352 153.942 1.00707.90 N
106
+ ATOM 103 CA ARG A 20 133.978 152.131 152.624 1.00707.90 C
107
+ ATOM 104 C ARG A 20 135.411 151.622 152.724 1.00707.90 C
108
+ ATOM 105 O ARG A 20 135.857 150.858 151.861 1.00707.89 O
109
+ ATOM 106 CB ARG A 20 133.928 153.419 151.804 1.00779.38 C
110
+ TER 107 ARG A 20
111
+ END
motif_pdbs/5TCQ_PS00875_c1.pdb ADDED
@@ -0,0 +1,176 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A464-472 -> A1-9
4
+ REMARK 4 A484-497 -> B1-14
5
+ ATOM 1 N GLY A 1 212.954 306.045 351.894 1.00 10.00 N
6
+ ATOM 2 CA GLY A 1 212.532 306.641 353.153 1.00 10.00 C
7
+ ATOM 3 C GLY A 1 211.526 305.794 353.924 1.00 10.00 C
8
+ ATOM 4 O GLY A 1 211.033 306.219 354.967 1.00 10.00 O
9
+ ATOM 5 N LYS A 2 211.232 304.598 353.432 1.00 10.00 N
10
+ ATOM 6 CA LYS A 2 210.307 303.706 354.106 1.00 10.00 C
11
+ ATOM 7 C LYS A 2 211.029 302.522 354.678 1.00 10.00 C
12
+ ATOM 8 O LYS A 2 212.254 302.445 354.614 1.00 10.00 O
13
+ ATOM 9 CB LYS A 2 209.198 303.267 353.165 1.00 10.00 C
14
+ ATOM 10 CG LYS A 2 208.362 304.425 352.679 1.00 10.00 C
15
+ ATOM 11 CD LYS A 2 207.642 305.025 353.871 1.00 10.00 C
16
+ ATOM 12 CE LYS A 2 206.703 306.146 353.488 1.00 10.00 C
17
+ ATOM 13 NZ LYS A 2 206.061 306.735 354.694 1.00 10.00 N
18
+ ATOM 14 N SER A 3 210.280 301.604 355.263 1.00 10.00 N
19
+ ATOM 15 CA SER A 3 210.903 300.459 355.879 1.00 10.00 C
20
+ ATOM 16 C SER A 3 210.101 299.190 355.703 1.00 10.00 C
21
+ ATOM 17 O SER A 3 208.902 299.244 355.445 1.00 10.00 O
22
+ ATOM 18 CB SER A 3 211.083 300.745 357.361 1.00 10.00 C
23
+ ATOM 19 OG SER A 3 209.839 300.896 357.999 1.00 10.00 O
24
+ ATOM 20 N LEU A 4 210.779 298.053 355.831 1.00 10.00 N
25
+ ATOM 21 CA LEU A 4 210.130 296.744 355.790 1.00 10.00 C
26
+ ATOM 22 C LEU A 4 210.604 295.809 356.864 1.00 10.00 C
27
+ ATOM 23 O LEU A 4 211.761 295.833 357.281 1.00 10.00 O
28
+ ATOM 24 CB LEU A 4 210.316 295.996 354.467 1.00 10.00 C
29
+ ATOM 25 CG LEU A 4 209.638 296.563 353.232 1.00 10.00 C
30
+ ATOM 26 CD1 LEU A 4 210.039 295.724 352.025 1.00 10.00 C
31
+ ATOM 27 CD2 LEU A 4 208.134 296.526 353.431 1.00 10.00 C
32
+ ATOM 28 N LEU A 5 209.706 294.947 357.292 1.00 10.00 N
33
+ ATOM 29 CA LEU A 5 210.062 293.911 358.225 1.00 10.00 C
34
+ ATOM 30 C LEU A 5 210.665 292.752 357.473 1.00 10.00 C
35
+ ATOM 31 O LEU A 5 209.975 292.084 356.709 1.00 10.00 O
36
+ ATOM 32 CB LEU A 5 208.841 293.446 358.989 1.00 10.00 C
37
+ ATOM 33 CG LEU A 5 209.096 292.312 359.962 1.00 10.00 C
38
+ ATOM 34 CD1 LEU A 5 210.070 292.764 361.019 1.00 10.00 C
39
+ ATOM 35 CD2 LEU A 5 207.793 291.899 360.592 1.00 10.00 C
40
+ ATOM 36 N VAL A 6 211.948 292.514 357.680 1.00 10.00 N
41
+ ATOM 37 CA VAL A 6 212.627 291.424 357.003 1.00 10.00 C
42
+ ATOM 38 C VAL A 6 212.294 290.100 357.604 1.00 10.00 C
43
+ ATOM 39 O VAL A 6 212.034 289.127 356.896 1.00 10.00 O
44
+ ATOM 40 CB VAL A 6 214.125 291.614 357.025 1.00 10.00 C
45
+ ATOM 41 CG1 VAL A 6 214.803 290.379 356.484 1.00 10.00 C
46
+ ATOM 42 CG2 VAL A 6 214.466 292.800 356.166 1.00 10.00 C
47
+ ATOM 43 N GLY A 7 212.317 290.041 358.915 1.00 10.00 N
48
+ ATOM 44 CA GLY A 7 211.975 288.793 359.552 1.00 10.00 C
49
+ ATOM 45 C GLY A 7 211.985 288.905 361.044 1.00 10.00 C
50
+ ATOM 46 O GLY A 7 212.263 289.964 361.602 1.00 10.00 O
51
+ ATOM 47 N GLY A 8 211.684 287.801 361.696 1.00 10.00 N
52
+ ATOM 48 CA GLY A 8 211.655 287.813 363.134 1.00 10.00 C
53
+ ATOM 49 C GLY A 8 211.304 286.475 363.728 1.00 10.00 C
54
+ ATOM 50 O GLY A 8 211.165 285.470 363.032 1.00 10.00 O
55
+ ATOM 51 N TYR A 9 211.174 286.475 365.037 1.00 10.00 N
56
+ ATOM 52 CA TYR A 9 210.878 285.283 365.773 1.00 10.00 C
57
+ ATOM 53 C TYR A 9 210.178 285.611 367.059 1.00 10.00 C
58
+ ATOM 54 O TYR A 9 210.669 286.417 367.847 1.00 10.00 O
59
+ ATOM 55 CB TYR A 9 212.170 284.557 366.068 1.00 10.00 C
60
+ ATOM 56 CG TYR A 9 211.998 283.268 366.797 1.00 10.00 C
61
+ ATOM 57 CD1 TYR A 9 211.710 282.126 366.085 1.00 10.00 C
62
+ ATOM 58 CD2 TYR A 9 212.128 283.225 368.173 1.00 10.00 C
63
+ ATOM 59 CE1 TYR A 9 211.554 280.934 366.747 1.00 10.00 C
64
+ ATOM 60 CE2 TYR A 9 211.972 282.028 368.837 1.00 10.00 C
65
+ ATOM 61 CZ TYR A 9 211.686 280.885 368.124 1.00 10.00 C
66
+ ATOM 62 OH TYR A 9 211.514 279.679 368.767 1.00 10.00 O
67
+ TER 63 TYR A 9
68
+ ATOM 63 N ILE B 1 200.656 265.384 398.691 1.00 10.00 N
69
+ ATOM 64 CA ILE B 1 200.587 264.131 399.404 1.00 10.00 C
70
+ ATOM 65 C ILE B 1 199.133 263.685 399.400 1.00 10.00 C
71
+ ATOM 66 O ILE B 1 198.285 264.353 399.991 1.00 10.00 O
72
+ ATOM 67 CB ILE B 1 201.124 264.279 400.825 1.00 10.00 C
73
+ ATOM 68 CG1 ILE B 1 202.547 264.820 400.770 1.00 10.00 C
74
+ ATOM 69 CG2 ILE B 1 201.082 262.958 401.555 1.00 10.00 C
75
+ ATOM 70 CD1 ILE B 1 203.491 263.942 399.993 1.00 10.00 C
76
+ ATOM 71 N PRO B 2 198.825 262.558 398.748 1.00 10.00 N
77
+ ATOM 72 CA PRO B 2 197.488 261.988 398.522 1.00 10.00 C
78
+ ATOM 73 C PRO B 2 196.414 262.311 399.558 1.00 10.00 C
79
+ ATOM 74 O PRO B 2 195.272 262.564 399.180 1.00 10.00 O
80
+ ATOM 75 CB PRO B 2 197.753 260.483 398.518 1.00 10.00 C
81
+ ATOM 76 CG PRO B 2 199.138 260.356 398.023 1.00 10.00 C
82
+ ATOM 77 CD PRO B 2 199.853 261.506 398.638 1.00 10.00 C
83
+ ATOM 78 N PHE B 3 196.745 262.319 400.843 1.00 10.00 N
84
+ ATOM 79 CA PHE B 3 195.705 262.613 401.814 1.00 10.00 C
85
+ ATOM 80 C PHE B 3 196.003 263.849 402.646 1.00 10.00 C
86
+ ATOM 81 O PHE B 3 195.092 264.609 402.981 1.00 10.00 O
87
+ ATOM 82 CB PHE B 3 195.579 261.429 402.763 1.00 10.00 C
88
+ ATOM 83 CG PHE B 3 195.239 260.145 402.067 1.00 10.00 C
89
+ ATOM 84 CD1 PHE B 3 193.964 259.904 401.586 1.00 10.00 C
90
+ ATOM 85 CD2 PHE B 3 196.213 259.174 401.888 1.00 10.00 C
91
+ ATOM 86 CE1 PHE B 3 193.668 258.720 400.941 1.00 10.00 C
92
+ ATOM 87 CE2 PHE B 3 195.919 257.988 401.243 1.00 10.00 C
93
+ ATOM 88 CZ PHE B 3 194.646 257.761 400.769 1.00 10.00 C
94
+ ATOM 89 N LEU B 4 197.273 264.085 402.948 1.00 10.00 N
95
+ ATOM 90 CA LEU B 4 197.630 265.204 403.804 1.00 10.00 C
96
+ ATOM 91 C LEU B 4 197.401 266.538 403.141 1.00 10.00 C
97
+ ATOM 92 O LEU B 4 197.053 267.509 403.811 1.00 10.00 O
98
+ ATOM 93 CB LEU B 4 199.081 265.094 404.230 1.00 10.00 C
99
+ ATOM 94 CG LEU B 4 199.375 263.924 405.159 1.00 10.00 C
100
+ ATOM 95 CD1 LEU B 4 200.862 263.856 405.442 1.00 10.00 C
101
+ ATOM 96 CD2 LEU B 4 198.582 264.098 406.437 1.00 10.00 C
102
+ ATOM 97 N GLY B 5 197.541 266.582 401.822 1.00 10.00 N
103
+ ATOM 98 CA GLY B 5 197.339 267.806 401.065 1.00 10.00 C
104
+ ATOM 99 C GLY B 5 195.910 268.343 401.133 1.00 10.00 C
105
+ ATOM 100 O GLY B 5 195.661 269.481 400.739 1.00 10.00 O
106
+ ATOM 101 N LYS B 6 194.961 267.538 401.612 1.00 10.00 N
107
+ ATOM 102 CA LYS B 6 193.584 267.979 401.683 1.00 10.00 C
108
+ ATOM 103 C LYS B 6 193.200 268.519 403.056 1.00 10.00 C
109
+ ATOM 104 O LYS B 6 192.043 268.880 403.272 1.00 10.00 O
110
+ ATOM 105 CB LYS B 6 192.662 266.823 401.325 1.00 10.00 C
111
+ ATOM 106 CG LYS B 6 192.908 266.245 399.943 1.00 10.00 C
112
+ ATOM 107 CD LYS B 6 192.641 267.271 398.858 1.00 10.00 C
113
+ ATOM 108 CE LYS B 6 192.807 266.657 397.477 1.00 10.00 C
114
+ ATOM 109 NZ LYS B 6 192.578 267.650 396.394 1.00 10.00 N
115
+ ATOM 110 N LEU B 7 194.145 268.566 403.993 1.00 10.00 N
116
+ ATOM 111 CA LEU B 7 193.792 269.018 405.328 1.00 10.00 C
117
+ ATOM 112 C LEU B 7 193.651 270.546 405.428 1.00 10.00 C
118
+ ATOM 113 O LEU B 7 194.570 271.280 405.070 1.00 10.00 O
119
+ ATOM 114 CB LEU B 7 194.837 268.521 406.302 1.00 10.00 C
120
+ ATOM 115 CG LEU B 7 194.935 267.007 406.441 1.00 10.00 C
121
+ ATOM 116 CD1 LEU B 7 196.088 266.669 407.365 1.00 10.00 C
122
+ ATOM 117 CD2 LEU B 7 193.621 266.472 406.976 1.00 10.00 C
123
+ ATOM 118 N PRO B 8 192.533 271.014 406.012 1.00 10.00 N
124
+ ATOM 119 CA PRO B 8 192.090 272.422 406.135 1.00 10.00 C
125
+ ATOM 120 C PRO B 8 193.202 273.471 406.152 1.00 10.00 C
126
+ ATOM 121 O PRO B 8 193.325 274.265 405.220 1.00 10.00 O
127
+ ATOM 122 CB PRO B 8 191.351 272.453 407.484 1.00 10.00 C
128
+ ATOM 123 CG PRO B 8 190.885 271.069 407.681 1.00 10.00 C
129
+ ATOM 124 CD PRO B 8 192.025 270.244 407.173 1.00 10.00 C
130
+ ATOM 125 N LEU B 9 193.986 273.492 407.227 1.00 10.00 N
131
+ ATOM 126 CA LEU B 9 195.063 274.464 407.366 1.00 10.00 C
132
+ ATOM 127 C LEU B 9 196.370 273.756 407.617 1.00 10.00 C
133
+ ATOM 128 O LEU B 9 197.218 274.237 408.368 1.00 10.00 O
134
+ ATOM 129 CB LEU B 9 194.764 275.419 408.521 1.00 10.00 C
135
+ ATOM 130 CG LEU B 9 193.509 276.279 408.354 1.00 10.00 C
136
+ ATOM 131 CD1 LEU B 9 193.232 277.019 409.653 1.00 10.00 C
137
+ ATOM 132 CD2 LEU B 9 193.720 277.249 407.203 1.00 10.00 C
138
+ ATOM 133 N ILE B 10 196.517 272.601 406.997 1.00 10.00 N
139
+ ATOM 134 CA ILE B 10 197.684 271.767 407.185 1.00 10.00 C
140
+ ATOM 135 C ILE B 10 198.285 271.378 405.854 1.00 10.00 C
141
+ ATOM 136 O ILE B 10 199.502 271.416 405.693 1.00 10.00 O
142
+ ATOM 137 CB ILE B 10 197.341 270.515 407.986 1.00 10.00 C
143
+ ATOM 138 CG1 ILE B 10 196.870 270.876 409.394 1.00 10.00 C
144
+ ATOM 139 CG2 ILE B 10 198.540 269.594 408.034 1.00 10.00 C
145
+ ATOM 140 CD1 ILE B 10 196.291 269.699 410.141 1.00 10.00 C
146
+ ATOM 141 N GLY B 11 197.425 270.981 404.909 1.00 10.00 N
147
+ ATOM 142 CA GLY B 11 197.818 270.523 403.581 1.00 10.00 C
148
+ ATOM 143 C GLY B 11 198.787 271.441 402.854 1.00 10.00 C
149
+ ATOM 144 O GLY B 11 199.575 270.964 402.044 1.00 10.00 O
150
+ ATOM 145 N SER B 12 198.759 272.740 403.159 1.00 10.00 N
151
+ ATOM 146 CA SER B 12 199.694 273.711 402.593 1.00 10.00 C
152
+ ATOM 147 C SER B 12 201.157 273.336 402.830 1.00 10.00 C
153
+ ATOM 148 O SER B 12 202.037 273.751 402.078 1.00 10.00 O
154
+ ATOM 149 CB SER B 12 199.426 275.075 403.179 1.00 10.00 C
155
+ ATOM 150 OG SER B 12 198.170 275.551 402.777 1.00 10.00 O
156
+ ATOM 151 N LEU B 13 201.407 272.559 403.880 1.00 10.00 N
157
+ ATOM 152 CA LEU B 13 202.733 272.111 404.255 1.00 10.00 C
158
+ ATOM 153 C LEU B 13 203.182 270.892 403.469 1.00 10.00 C
159
+ ATOM 154 O LEU B 13 204.314 270.433 403.639 1.00 10.00 O
160
+ ATOM 155 CB LEU B 13 202.737 271.748 405.731 1.00 10.00 C
161
+ ATOM 156 CG LEU B 13 202.424 272.893 406.685 1.00 10.00 C
162
+ ATOM 157 CD1 LEU B 13 202.327 272.347 408.099 1.00 10.00 C
163
+ ATOM 158 CD2 LEU B 13 203.511 273.948 406.570 1.00 10.00 C
164
+ ATOM 159 N PHE B 14 202.290 270.356 402.642 1.00 10.00 N
165
+ ATOM 160 CA PHE B 14 202.547 269.175 401.846 1.00 10.00 C
166
+ ATOM 161 C PHE B 14 202.390 269.446 400.353 1.00 10.00 C
167
+ ATOM 162 O PHE B 14 203.063 268.831 399.528 1.00 10.00 O
168
+ ATOM 163 CB PHE B 14 201.603 268.089 402.318 1.00 10.00 C
169
+ ATOM 164 CG PHE B 14 201.879 267.765 403.745 1.00 10.00 C
170
+ ATOM 165 CD1 PHE B 14 202.980 267.000 404.080 1.00 10.00 C
171
+ ATOM 166 CD2 PHE B 14 201.071 268.248 404.756 1.00 10.00 C
172
+ ATOM 167 CE1 PHE B 14 203.275 266.723 405.395 1.00 10.00 C
173
+ ATOM 168 CE2 PHE B 14 201.364 267.969 406.074 1.00 10.00 C
174
+ ATOM 169 CZ PHE B 14 202.465 267.211 406.393 1.00 10.00 C
175
+ TER 170 PHE B 14
176
+ END
motif_pdbs/6CEI_PS60019_c1.pdb ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A1-31 -> A1-31
4
+ ATOM 1 N CYS A 1 -6.117 5.455 6.897 1.00 0.00 N
5
+ ATOM 2 CA CYS A 1 -5.445 4.784 5.789 1.00 0.00 C
6
+ ATOM 3 C CYS A 1 -6.165 3.480 5.428 1.00 0.00 C
7
+ ATOM 4 O CYS A 1 -6.998 2.975 6.207 1.00 0.00 O
8
+ ATOM 5 CB CYS A 1 -3.982 4.507 6.167 1.00 0.00 C
9
+ ATOM 6 SG CYS A 1 -3.761 3.619 7.746 1.00 0.00 S
10
+ ATOM 7 H1 CYS A 1 -7.106 5.630 6.631 1.00 0.00 H
11
+ ATOM 8 H2 CYS A 1 -5.654 6.367 7.087 1.00 0.00 H
12
+ ATOM 9 H3 CYS A 1 -6.085 4.858 7.747 1.00 0.00 H
13
+ ATOM 10 HA CYS A 1 -5.470 5.440 4.931 1.00 0.00 H
14
+ ATOM 11 HB2 CYS A 1 -3.532 3.900 5.395 1.00 0.00 H
15
+ ATOM 12 HB3 CYS A 1 -3.441 5.438 6.236 1.00 0.00 H
16
+ ATOM 13 N ALA A 2 -5.882 2.958 4.253 1.00 0.00 N
17
+ ATOM 14 CA ALA A 2 -6.437 1.704 3.810 1.00 0.00 C
18
+ ATOM 15 C ALA A 2 -5.522 0.574 4.226 1.00 0.00 C
19
+ ATOM 16 O ALA A 2 -4.288 0.727 4.228 1.00 0.00 O
20
+ ATOM 17 CB ALA A 2 -6.635 1.713 2.310 1.00 0.00 C
21
+ ATOM 18 H ALA A 2 -5.267 3.431 3.645 1.00 0.00 H
22
+ ATOM 19 HA ALA A 2 -7.393 1.567 4.291 1.00 0.00 H
23
+ ATOM 20 HB1 ALA A 2 -7.066 0.775 1.995 1.00 0.00 H
24
+ ATOM 21 HB2 ALA A 2 -5.685 1.861 1.818 1.00 0.00 H
25
+ ATOM 22 HB3 ALA A 2 -7.307 2.518 2.053 1.00 0.00 H
26
+ ATOM 23 N VAL A 3 -6.101 -0.534 4.593 1.00 0.00 N
27
+ ATOM 24 CA VAL A 3 -5.329 -1.668 5.061 1.00 0.00 C
28
+ ATOM 25 C VAL A 3 -4.956 -2.584 3.903 1.00 0.00 C
29
+ ATOM 26 O VAL A 3 -5.259 -2.288 2.737 1.00 0.00 O
30
+ ATOM 27 CB VAL A 3 -6.080 -2.477 6.155 1.00 0.00 C
31
+ ATOM 28 CG1 VAL A 3 -6.376 -1.606 7.367 1.00 0.00 C
32
+ ATOM 29 CG2 VAL A 3 -7.359 -3.089 5.601 1.00 0.00 C
33
+ ATOM 30 H VAL A 3 -7.083 -0.612 4.515 1.00 0.00 H
34
+ ATOM 31 HA VAL A 3 -4.417 -1.277 5.489 1.00 0.00 H
35
+ ATOM 32 HB VAL A 3 -5.430 -3.278 6.479 1.00 0.00 H
36
+ ATOM 33 HG11 VAL A 3 -6.992 -0.771 7.067 1.00 0.00 H
37
+ ATOM 34 HG12 VAL A 3 -5.449 -1.238 7.783 1.00 0.00 H
38
+ ATOM 35 HG13 VAL A 3 -6.898 -2.190 8.111 1.00 0.00 H
39
+ ATOM 36 HG21 VAL A 3 -7.981 -2.299 5.204 1.00 0.00 H
40
+ ATOM 37 HG22 VAL A 3 -7.888 -3.616 6.380 1.00 0.00 H
41
+ ATOM 38 HG23 VAL A 3 -7.106 -3.769 4.801 1.00 0.00 H
42
+ ATOM 39 N THR A 4 -4.300 -3.676 4.224 1.00 0.00 N
43
+ ATOM 40 CA THR A 4 -3.873 -4.651 3.260 1.00 0.00 C
44
+ ATOM 41 C THR A 4 -5.063 -5.158 2.431 1.00 0.00 C
45
+ ATOM 42 O THR A 4 -6.124 -5.488 2.980 1.00 0.00 O
46
+ ATOM 43 CB THR A 4 -3.205 -5.837 3.982 1.00 0.00 C
47
+ ATOM 44 OG1 THR A 4 -2.275 -5.329 4.960 1.00 0.00 O
48
+ ATOM 45 CG2 THR A 4 -2.444 -6.704 2.990 1.00 0.00 C
49
+ ATOM 46 H THR A 4 -4.071 -3.842 5.162 1.00 0.00 H
50
+ ATOM 47 HA THR A 4 -3.144 -4.196 2.606 1.00 0.00 H
51
+ ATOM 48 HB THR A 4 -3.963 -6.431 4.472 1.00 0.00 H
52
+ ATOM 49 HG1 THR A 4 -1.603 -6.008 5.102 1.00 0.00 H
53
+ ATOM 50 HG21 THR A 4 -1.977 -7.529 3.507 1.00 0.00 H
54
+ ATOM 51 HG22 THR A 4 -1.688 -6.105 2.504 1.00 0.00 H
55
+ ATOM 52 HG23 THR A 4 -3.130 -7.082 2.247 1.00 0.00 H
56
+ ATOM 53 N HIS A 5 -4.888 -5.136 1.117 1.00 0.00 N
57
+ ATOM 54 CA HIS A 5 -5.864 -5.627 0.133 1.00 0.00 C
58
+ ATOM 55 C HIS A 5 -7.004 -4.654 -0.152 1.00 0.00 C
59
+ ATOM 56 O HIS A 5 -7.837 -4.916 -1.022 1.00 0.00 O
60
+ ATOM 57 CB HIS A 5 -6.380 -7.057 0.427 1.00 0.00 C
61
+ ATOM 58 CG HIS A 5 -5.318 -8.119 0.342 1.00 0.00 C
62
+ ATOM 59 ND1 HIS A 5 -4.906 -8.885 1.407 1.00 0.00 N
63
+ ATOM 60 CD2 HIS A 5 -4.592 -8.542 -0.720 1.00 0.00 C
64
+ ATOM 61 CE1 HIS A 5 -3.966 -9.728 0.979 1.00 0.00 C
65
+ ATOM 62 NE2 HIS A 5 -3.733 -9.560 -0.316 1.00 0.00 N
66
+ ATOM 63 H HIS A 5 -4.047 -4.749 0.778 1.00 0.00 H
67
+ ATOM 64 HA HIS A 5 -5.300 -5.666 -0.787 1.00 0.00 H
68
+ ATOM 65 HB2 HIS A 5 -6.790 -7.082 1.425 1.00 0.00 H
69
+ ATOM 66 HB3 HIS A 5 -7.159 -7.301 -0.280 1.00 0.00 H
70
+ ATOM 67 HD1 HIS A 5 -5.253 -8.839 2.325 1.00 0.00 H
71
+ ATOM 68 HD2 HIS A 5 -4.663 -8.166 -1.730 1.00 0.00 H
72
+ ATOM 69 HE1 HIS A 5 -3.463 -10.452 1.602 1.00 0.00 H
73
+ ATOM 70 N GLU A 6 -7.050 -3.540 0.549 1.00 0.00 N
74
+ ATOM 71 CA GLU A 6 -8.024 -2.519 0.221 1.00 0.00 C
75
+ ATOM 72 C GLU A 6 -7.492 -1.706 -0.924 1.00 0.00 C
76
+ ATOM 73 O GLU A 6 -6.282 -1.661 -1.126 1.00 0.00 O
77
+ ATOM 74 CB GLU A 6 -8.320 -1.586 1.386 1.00 0.00 C
78
+ ATOM 75 CG GLU A 6 -9.122 -2.170 2.504 1.00 0.00 C
79
+ ATOM 76 CD GLU A 6 -9.644 -1.079 3.391 1.00 0.00 C
80
+ ATOM 77 OE1 GLU A 6 -8.909 -0.583 4.271 1.00 0.00 O
81
+ ATOM 78 OE2 GLU A 6 -10.812 -0.675 3.207 1.00 0.00 O
82
+ ATOM 79 H GLU A 6 -6.414 -3.380 1.280 1.00 0.00 H
83
+ ATOM 80 HA GLU A 6 -8.932 -3.013 -0.091 1.00 0.00 H
84
+ ATOM 81 HB2 GLU A 6 -7.380 -1.310 1.843 1.00 0.00 H
85
+ ATOM 82 HB3 GLU A 6 -8.824 -0.703 1.024 1.00 0.00 H
86
+ ATOM 83 HG2 GLU A 6 -9.953 -2.723 2.093 1.00 0.00 H
87
+ ATOM 84 HG3 GLU A 6 -8.496 -2.827 3.090 1.00 0.00 H
88
+ ATOM 85 N LYS A 7 -8.365 -1.084 -1.682 1.00 0.00 N
89
+ ATOM 86 CA LYS A 7 -7.926 -0.245 -2.772 1.00 0.00 C
90
+ ATOM 87 C LYS A 7 -7.234 0.980 -2.247 1.00 0.00 C
91
+ ATOM 88 O LYS A 7 -7.587 1.502 -1.177 1.00 0.00 O
92
+ ATOM 89 CB LYS A 7 -9.060 0.141 -3.728 1.00 0.00 C
93
+ ATOM 90 CG LYS A 7 -9.401 -0.909 -4.780 1.00 0.00 C
94
+ ATOM 91 CD LYS A 7 -9.967 -2.189 -4.198 1.00 0.00 C
95
+ ATOM 92 CE LYS A 7 -10.189 -3.227 -5.289 1.00 0.00 C
96
+ ATOM 93 NZ LYS A 7 -11.114 -2.750 -6.344 1.00 0.00 N
97
+ ATOM 94 H LYS A 7 -9.323 -1.166 -1.490 1.00 0.00 H
98
+ ATOM 95 HA LYS A 7 -7.196 -0.820 -3.320 1.00 0.00 H
99
+ ATOM 96 HB2 LYS A 7 -9.950 0.333 -3.148 1.00 0.00 H
100
+ ATOM 97 HB3 LYS A 7 -8.776 1.050 -4.238 1.00 0.00 H
101
+ ATOM 98 HG2 LYS A 7 -10.135 -0.494 -5.454 1.00 0.00 H
102
+ ATOM 99 HG3 LYS A 7 -8.503 -1.140 -5.336 1.00 0.00 H
103
+ ATOM 100 HD2 LYS A 7 -9.276 -2.581 -3.466 1.00 0.00 H
104
+ ATOM 101 HD3 LYS A 7 -10.910 -1.969 -3.722 1.00 0.00 H
105
+ ATOM 102 HE2 LYS A 7 -9.238 -3.465 -5.739 1.00 0.00 H
106
+ ATOM 103 HE3 LYS A 7 -10.601 -4.114 -4.832 1.00 0.00 H
107
+ ATOM 104 HZ1 LYS A 7 -11.217 -3.455 -7.102 1.00 0.00 H
108
+ ATOM 105 HZ2 LYS A 7 -10.754 -1.882 -6.790 1.00 0.00 H
109
+ ATOM 106 HZ3 LYS A 7 -12.058 -2.536 -5.966 1.00 0.00 H
110
+ ATOM 107 N CYS A 8 -6.282 1.439 -2.974 1.00 0.00 N
111
+ ATOM 108 CA CYS A 8 -5.506 2.557 -2.553 1.00 0.00 C
112
+ ATOM 109 C CYS A 8 -5.679 3.708 -3.498 1.00 0.00 C
113
+ ATOM 110 O CYS A 8 -5.797 3.518 -4.725 1.00 0.00 O
114
+ ATOM 111 CB CYS A 8 -4.042 2.155 -2.486 1.00 0.00 C
115
+ ATOM 112 SG CYS A 8 -3.417 1.374 -4.018 1.00 0.00 S
116
+ ATOM 113 H CYS A 8 -6.063 1.020 -3.834 1.00 0.00 H
117
+ ATOM 114 HA CYS A 8 -5.821 2.847 -1.562 1.00 0.00 H
118
+ ATOM 115 HB2 CYS A 8 -3.443 3.034 -2.297 1.00 0.00 H
119
+ ATOM 116 HB3 CYS A 8 -3.904 1.451 -1.678 1.00 0.00 H
120
+ ATOM 117 N SER A 9 -5.754 4.880 -2.943 1.00 0.00 N
121
+ ATOM 118 CA SER A 9 -5.813 6.069 -3.715 1.00 0.00 C
122
+ ATOM 119 C SER A 9 -4.387 6.451 -4.125 1.00 0.00 C
123
+ ATOM 120 O SER A 9 -4.141 6.853 -5.275 1.00 0.00 O
124
+ ATOM 121 CB SER A 9 -6.483 7.164 -2.896 1.00 0.00 C
125
+ ATOM 122 OG SER A 9 -7.786 6.744 -2.476 1.00 0.00 O
126
+ ATOM 123 H SER A 9 -5.794 4.956 -1.958 1.00 0.00 H
127
+ ATOM 124 HA SER A 9 -6.398 5.870 -4.600 1.00 0.00 H
128
+ ATOM 125 HB2 SER A 9 -5.884 7.370 -2.022 1.00 0.00 H
129
+ ATOM 126 HB3 SER A 9 -6.579 8.057 -3.494 1.00 0.00 H
130
+ ATOM 127 HG SER A 9 -8.372 7.501 -2.595 1.00 0.00 H
131
+ ATOM 128 N ASP A 10 -3.451 6.267 -3.195 1.00 0.00 N
132
+ ATOM 129 CA ASP A 10 -2.042 6.512 -3.421 1.00 0.00 C
133
+ ATOM 130 C ASP A 10 -1.249 5.712 -2.389 1.00 0.00 C
134
+ ATOM 131 O ASP A 10 -1.847 5.062 -1.535 1.00 0.00 O
135
+ ATOM 132 CB ASP A 10 -1.685 8.005 -3.333 1.00 0.00 C
136
+ ATOM 133 CG ASP A 10 -1.618 8.559 -1.927 1.00 0.00 C
137
+ ATOM 134 OD1 ASP A 10 -0.512 8.566 -1.339 1.00 0.00 O
138
+ ATOM 135 OD2 ASP A 10 -2.641 9.054 -1.412 1.00 0.00 O
139
+ ATOM 136 H ASP A 10 -3.687 5.936 -2.303 1.00 0.00 H
140
+ ATOM 137 HA ASP A 10 -1.806 6.132 -4.405 1.00 0.00 H
141
+ ATOM 138 HB2 ASP A 10 -0.717 8.136 -3.785 1.00 0.00 H
142
+ ATOM 139 HB3 ASP A 10 -2.414 8.571 -3.896 1.00 0.00 H
143
+ ATOM 140 N ASP A 11 0.072 5.766 -2.457 1.00 0.00 N
144
+ ATOM 141 CA ASP A 11 0.955 4.959 -1.577 1.00 0.00 C
145
+ ATOM 142 C ASP A 11 0.840 5.333 -0.116 1.00 0.00 C
146
+ ATOM 143 O ASP A 11 0.827 4.469 0.760 1.00 0.00 O
147
+ ATOM 144 CB ASP A 11 2.421 5.060 -2.001 1.00 0.00 C
148
+ ATOM 145 CG ASP A 11 2.678 4.515 -3.374 1.00 0.00 C
149
+ ATOM 146 OD1 ASP A 11 2.764 3.291 -3.533 1.00 0.00 O
150
+ ATOM 147 OD2 ASP A 11 2.807 5.315 -4.323 1.00 0.00 O
151
+ ATOM 148 H ASP A 11 0.475 6.362 -3.127 1.00 0.00 H
152
+ ATOM 149 HA ASP A 11 0.650 3.929 -1.679 1.00 0.00 H
153
+ ATOM 150 HB2 ASP A 11 2.719 6.098 -1.991 1.00 0.00 H
154
+ ATOM 151 HB3 ASP A 11 3.029 4.514 -1.294 1.00 0.00 H
155
+ ATOM 152 N TYR A 12 0.695 6.602 0.153 1.00 0.00 N
156
+ ATOM 153 CA TYR A 12 0.655 7.089 1.519 1.00 0.00 C
157
+ ATOM 154 C TYR A 12 -0.741 6.988 2.101 1.00 0.00 C
158
+ ATOM 155 O TYR A 12 -0.980 7.307 3.268 1.00 0.00 O
159
+ ATOM 156 CB TYR A 12 1.222 8.501 1.610 1.00 0.00 C
160
+ ATOM 157 CG TYR A 12 2.724 8.549 1.409 1.00 0.00 C
161
+ ATOM 158 CD1 TYR A 12 3.281 8.687 0.146 1.00 0.00 C
162
+ ATOM 159 CD2 TYR A 12 3.582 8.438 2.489 1.00 0.00 C
163
+ ATOM 160 CE1 TYR A 12 4.652 8.713 -0.032 1.00 0.00 C
164
+ ATOM 161 CE2 TYR A 12 4.948 8.466 2.322 1.00 0.00 C
165
+ ATOM 162 CZ TYR A 12 5.479 8.602 1.063 1.00 0.00 C
166
+ ATOM 163 OH TYR A 12 6.845 8.629 0.899 1.00 0.00 O
167
+ ATOM 164 H TYR A 12 0.562 7.252 -0.577 1.00 0.00 H
168
+ ATOM 165 HA TYR A 12 1.286 6.428 2.094 1.00 0.00 H
169
+ ATOM 166 HB2 TYR A 12 0.762 9.114 0.849 1.00 0.00 H
170
+ ATOM 167 HB3 TYR A 12 0.997 8.912 2.581 1.00 0.00 H
171
+ ATOM 168 HD1 TYR A 12 2.625 8.775 -0.705 1.00 0.00 H
172
+ ATOM 169 HD2 TYR A 12 3.167 8.329 3.480 1.00 0.00 H
173
+ ATOM 170 HE1 TYR A 12 5.067 8.822 -1.023 1.00 0.00 H
174
+ ATOM 171 HE2 TYR A 12 5.596 8.377 3.179 1.00 0.00 H
175
+ ATOM 172 HH TYR A 12 7.040 9.356 0.294 1.00 0.00 H
176
+ ATOM 173 N ASP A 13 -1.638 6.503 1.285 1.00 0.00 N
177
+ ATOM 174 CA ASP A 13 -3.010 6.247 1.664 1.00 0.00 C
178
+ ATOM 175 C ASP A 13 -3.107 4.872 2.326 1.00 0.00 C
179
+ ATOM 176 O ASP A 13 -4.067 4.558 3.018 1.00 0.00 O
180
+ ATOM 177 CB ASP A 13 -3.890 6.342 0.409 1.00 0.00 C
181
+ ATOM 178 CG ASP A 13 -5.317 5.902 0.587 1.00 0.00 C
182
+ ATOM 179 OD1 ASP A 13 -6.029 6.438 1.473 1.00 0.00 O
183
+ ATOM 180 OD2 ASP A 13 -5.772 5.063 -0.209 1.00 0.00 O
184
+ ATOM 181 H ASP A 13 -1.364 6.307 0.362 1.00 0.00 H
185
+ ATOM 182 HA ASP A 13 -3.315 7.004 2.371 1.00 0.00 H
186
+ ATOM 183 HB2 ASP A 13 -3.903 7.366 0.069 1.00 0.00 H
187
+ ATOM 184 HB3 ASP A 13 -3.439 5.735 -0.362 1.00 0.00 H
188
+ ATOM 185 N CYS A 14 -2.074 4.086 2.158 1.00 0.00 N
189
+ ATOM 186 CA CYS A 14 -2.021 2.751 2.714 1.00 0.00 C
190
+ ATOM 187 C CYS A 14 -1.374 2.743 4.095 1.00 0.00 C
191
+ ATOM 188 O CYS A 14 -0.439 3.511 4.362 1.00 0.00 O
192
+ ATOM 189 CB CYS A 14 -1.268 1.836 1.768 1.00 0.00 C
193
+ ATOM 190 SG CYS A 14 -2.050 1.715 0.139 1.00 0.00 S
194
+ ATOM 191 H CYS A 14 -1.308 4.409 1.637 1.00 0.00 H
195
+ ATOM 192 HA CYS A 14 -3.035 2.390 2.803 1.00 0.00 H
196
+ ATOM 193 HB2 CYS A 14 -0.264 2.208 1.631 1.00 0.00 H
197
+ ATOM 194 HB3 CYS A 14 -1.233 0.844 2.191 1.00 0.00 H
198
+ ATOM 195 N CYS A 15 -1.887 1.897 4.970 1.00 0.00 N
199
+ ATOM 196 CA CYS A 15 -1.375 1.751 6.332 1.00 0.00 C
200
+ ATOM 197 C CYS A 15 -0.035 1.020 6.329 1.00 0.00 C
201
+ ATOM 198 O CYS A 15 0.354 0.422 5.314 1.00 0.00 O
202
+ ATOM 199 CB CYS A 15 -2.371 0.962 7.192 1.00 0.00 C
203
+ ATOM 200 SG CYS A 15 -4.050 1.671 7.279 1.00 0.00 S
204
+ ATOM 201 H CYS A 15 -2.657 1.344 4.701 1.00 0.00 H
205
+ ATOM 202 HA CYS A 15 -1.250 2.736 6.757 1.00 0.00 H
206
+ ATOM 203 HB2 CYS A 15 -2.465 -0.036 6.791 1.00 0.00 H
207
+ ATOM 204 HB3 CYS A 15 -1.986 0.902 8.199 1.00 0.00 H
208
+ ATOM 205 N GLY A 16 0.669 1.089 7.449 1.00 0.00 N
209
+ ATOM 206 CA GLY A 16 1.928 0.402 7.613 1.00 0.00 C
210
+ ATOM 207 C GLY A 16 2.958 0.846 6.612 1.00 0.00 C
211
+ ATOM 208 O GLY A 16 3.050 2.043 6.282 1.00 0.00 O
212
+ ATOM 209 H GLY A 16 0.337 1.641 8.190 1.00 0.00 H
213
+ ATOM 210 HA2 GLY A 16 2.303 0.584 8.609 1.00 0.00 H
214
+ ATOM 211 HA3 GLY A 16 1.759 -0.657 7.494 1.00 0.00 H
215
+ ATOM 212 N SER A 17 3.693 -0.097 6.098 1.00 0.00 N
216
+ ATOM 213 CA SER A 17 4.709 0.173 5.121 1.00 0.00 C
217
+ ATOM 214 C SER A 17 4.244 -0.336 3.762 1.00 0.00 C
218
+ ATOM 215 O SER A 17 5.052 -0.639 2.877 1.00 0.00 O
219
+ ATOM 216 CB SER A 17 6.011 -0.506 5.547 1.00 0.00 C
220
+ ATOM 217 OG SER A 17 5.831 -1.910 5.725 1.00 0.00 O
221
+ ATOM 218 H SER A 17 3.563 -1.032 6.369 1.00 0.00 H
222
+ ATOM 219 HA SER A 17 4.863 1.241 5.073 1.00 0.00 H
223
+ ATOM 220 HB2 SER A 17 6.762 -0.347 4.787 1.00 0.00 H
224
+ ATOM 221 HB3 SER A 17 6.348 -0.077 6.480 1.00 0.00 H
225
+ ATOM 222 HG SER A 17 5.795 -2.078 6.676 1.00 0.00 H
226
+ ATOM 223 N LEU A 18 2.930 -0.426 3.610 1.00 0.00 N
227
+ ATOM 224 CA LEU A 18 2.331 -0.884 2.378 1.00 0.00 C
228
+ ATOM 225 C LEU A 18 2.380 0.225 1.352 1.00 0.00 C
229
+ ATOM 226 O LEU A 18 2.431 1.413 1.709 1.00 0.00 O
230
+ ATOM 227 CB LEU A 18 0.873 -1.283 2.597 1.00 0.00 C
231
+ ATOM 228 CG LEU A 18 0.589 -2.352 3.650 1.00 0.00 C
232
+ ATOM 229 CD1 LEU A 18 -0.899 -2.574 3.760 1.00 0.00 C
233
+ ATOM 230 CD2 LEU A 18 1.297 -3.655 3.323 1.00 0.00 C
234
+ ATOM 231 H LEU A 18 2.345 -0.156 4.350 1.00 0.00 H
235
+ ATOM 232 HA LEU A 18 2.882 -1.739 2.017 1.00 0.00 H
236
+ ATOM 233 HB2 LEU A 18 0.333 -0.393 2.884 1.00 0.00 H
237
+ ATOM 234 HB3 LEU A 18 0.477 -1.627 1.653 1.00 0.00 H
238
+ ATOM 235 HG LEU A 18 0.942 -1.998 4.608 1.00 0.00 H
239
+ ATOM 236 HD11 LEU A 18 -1.095 -3.345 4.491 1.00 0.00 H
240
+ ATOM 237 HD12 LEU A 18 -1.289 -2.880 2.801 1.00 0.00 H
241
+ ATOM 238 HD13 LEU A 18 -1.380 -1.658 4.069 1.00 0.00 H
242
+ ATOM 239 HD21 LEU A 18 1.048 -4.397 4.067 1.00 0.00 H
243
+ ATOM 240 HD22 LEU A 18 2.364 -3.487 3.334 1.00 0.00 H
244
+ ATOM 241 HD23 LEU A 18 0.993 -4.002 2.346 1.00 0.00 H
245
+ ATOM 242 N CYS A 19 2.335 -0.152 0.113 1.00 0.00 N
246
+ ATOM 243 CA CYS A 19 2.378 0.772 -0.974 1.00 0.00 C
247
+ ATOM 244 C CYS A 19 1.149 0.575 -1.834 1.00 0.00 C
248
+ ATOM 245 O CYS A 19 0.346 -0.345 -1.588 1.00 0.00 O
249
+ ATOM 246 CB CYS A 19 3.661 0.571 -1.779 1.00 0.00 C
250
+ ATOM 247 SG CYS A 19 5.176 0.868 -0.808 1.00 0.00 S
251
+ ATOM 248 H CYS A 19 2.240 -1.099 -0.127 1.00 0.00 H
252
+ ATOM 249 HA CYS A 19 2.367 1.772 -0.566 1.00 0.00 H
253
+ ATOM 250 HB2 CYS A 19 3.696 -0.444 -2.146 1.00 0.00 H
254
+ ATOM 251 HB3 CYS A 19 3.666 1.254 -2.616 1.00 0.00 H
255
+ ATOM 252 N CYS A 20 0.983 1.398 -2.820 1.00 0.00 N
256
+ ATOM 253 CA CYS A 20 -0.174 1.329 -3.643 1.00 0.00 C
257
+ ATOM 254 C CYS A 20 0.144 0.658 -4.954 1.00 0.00 C
258
+ ATOM 255 O CYS A 20 0.989 1.128 -5.729 1.00 0.00 O
259
+ ATOM 256 CB CYS A 20 -0.717 2.727 -3.887 1.00 0.00 C
260
+ ATOM 257 SG CYS A 20 -2.254 2.794 -4.857 1.00 0.00 S
261
+ ATOM 258 H CYS A 20 1.669 2.080 -3.029 1.00 0.00 H
262
+ ATOM 259 HA CYS A 20 -0.935 0.755 -3.136 1.00 0.00 H
263
+ ATOM 260 HB2 CYS A 20 -0.922 3.195 -2.935 1.00 0.00 H
264
+ ATOM 261 HB3 CYS A 20 0.030 3.306 -4.410 1.00 0.00 H
265
+ ATOM 262 N VAL A 21 -0.497 -0.444 -5.186 1.00 0.00 N
266
+ ATOM 263 CA VAL A 21 -0.409 -1.143 -6.430 1.00 0.00 C
267
+ ATOM 264 C VAL A 21 -1.800 -1.685 -6.752 1.00 0.00 C
268
+ ATOM 265 O VAL A 21 -2.093 -2.879 -6.648 1.00 0.00 O
269
+ ATOM 266 CB VAL A 21 0.728 -2.235 -6.437 1.00 0.00 C
270
+ ATOM 267 CG1 VAL A 21 0.578 -3.254 -5.305 1.00 0.00 C
271
+ ATOM 268 CG2 VAL A 21 0.840 -2.922 -7.796 1.00 0.00 C
272
+ ATOM 269 H VAL A 21 -1.074 -0.823 -4.482 1.00 0.00 H
273
+ ATOM 270 HA VAL A 21 -0.192 -0.385 -7.171 1.00 0.00 H
274
+ ATOM 271 HB VAL A 21 1.655 -1.711 -6.252 1.00 0.00 H
275
+ ATOM 272 HG11 VAL A 21 -0.364 -3.772 -5.410 1.00 0.00 H
276
+ ATOM 273 HG12 VAL A 21 0.600 -2.740 -4.356 1.00 0.00 H
277
+ ATOM 274 HG13 VAL A 21 1.390 -3.965 -5.348 1.00 0.00 H
278
+ ATOM 275 HG21 VAL A 21 1.631 -3.657 -7.762 1.00 0.00 H
279
+ ATOM 276 HG22 VAL A 21 1.063 -2.187 -8.555 1.00 0.00 H
280
+ ATOM 277 HG23 VAL A 21 -0.095 -3.409 -8.029 1.00 0.00 H
281
+ ATOM 278 N GLY A 22 -2.703 -0.750 -6.988 1.00 0.00 N
282
+ ATOM 279 CA GLY A 22 -4.107 -1.072 -7.186 1.00 0.00 C
283
+ ATOM 280 C GLY A 22 -4.786 -1.190 -5.836 1.00 0.00 C
284
+ ATOM 281 O GLY A 22 -5.782 -0.508 -5.535 1.00 0.00 O
285
+ ATOM 282 H GLY A 22 -2.416 0.187 -7.013 1.00 0.00 H
286
+ ATOM 283 HA2 GLY A 22 -4.577 -0.294 -7.769 1.00 0.00 H
287
+ ATOM 284 HA3 GLY A 22 -4.187 -2.017 -7.702 1.00 0.00 H
288
+ ATOM 285 N ILE A 23 -4.208 -2.020 -5.022 1.00 0.00 N
289
+ ATOM 286 CA ILE A 23 -4.605 -2.236 -3.674 1.00 0.00 C
290
+ ATOM 287 C ILE A 23 -3.399 -1.983 -2.788 1.00 0.00 C
291
+ ATOM 288 O ILE A 23 -2.259 -1.910 -3.290 1.00 0.00 O
292
+ ATOM 289 CB ILE A 23 -5.127 -3.685 -3.447 1.00 0.00 C
293
+ ATOM 290 CG1 ILE A 23 -4.066 -4.726 -3.868 1.00 0.00 C
294
+ ATOM 291 CG2 ILE A 23 -6.442 -3.905 -4.189 1.00 0.00 C
295
+ ATOM 292 CD1 ILE A 23 -4.484 -6.167 -3.653 1.00 0.00 C
296
+ ATOM 293 H ILE A 23 -3.426 -2.511 -5.356 1.00 0.00 H
297
+ ATOM 294 HA ILE A 23 -5.381 -1.530 -3.424 1.00 0.00 H
298
+ ATOM 295 HB ILE A 23 -5.326 -3.798 -2.391 1.00 0.00 H
299
+ ATOM 296 HG12 ILE A 23 -3.851 -4.602 -4.919 1.00 0.00 H
300
+ ATOM 297 HG13 ILE A 23 -3.162 -4.551 -3.303 1.00 0.00 H
301
+ ATOM 298 HG21 ILE A 23 -7.183 -3.210 -3.823 1.00 0.00 H
302
+ ATOM 299 HG22 ILE A 23 -6.783 -4.916 -4.024 1.00 0.00 H
303
+ ATOM 300 HG23 ILE A 23 -6.289 -3.744 -5.246 1.00 0.00 H
304
+ ATOM 301 HD11 ILE A 23 -5.375 -6.373 -4.228 1.00 0.00 H
305
+ ATOM 302 HD12 ILE A 23 -4.690 -6.323 -2.605 1.00 0.00 H
306
+ ATOM 303 HD13 ILE A 23 -3.690 -6.827 -3.966 1.00 0.00 H
307
+ ATOM 304 N CYS A 24 -3.636 -1.807 -1.524 1.00 0.00 N
308
+ ATOM 305 CA CYS A 24 -2.580 -1.623 -0.572 1.00 0.00 C
309
+ ATOM 306 C CYS A 24 -1.881 -2.924 -0.325 1.00 0.00 C
310
+ ATOM 307 O CYS A 24 -2.451 -3.865 0.263 1.00 0.00 O
311
+ ATOM 308 CB CYS A 24 -3.108 -1.032 0.722 1.00 0.00 C
312
+ ATOM 309 SG CYS A 24 -3.738 0.655 0.525 1.00 0.00 S
313
+ ATOM 310 H CYS A 24 -4.571 -1.785 -1.214 1.00 0.00 H
314
+ ATOM 311 HA CYS A 24 -1.872 -0.932 -1.006 1.00 0.00 H
315
+ ATOM 312 HB2 CYS A 24 -3.906 -1.655 1.098 1.00 0.00 H
316
+ ATOM 313 HB3 CYS A 24 -2.309 -1.005 1.449 1.00 0.00 H
317
+ ATOM 314 N ALA A 25 -0.677 -2.995 -0.803 1.00 0.00 N
318
+ ATOM 315 CA ALA A 25 0.126 -4.161 -0.699 1.00 0.00 C
319
+ ATOM 316 C ALA A 25 1.557 -3.736 -0.613 1.00 0.00 C
320
+ ATOM 317 O ALA A 25 1.914 -2.663 -1.088 1.00 0.00 O
321
+ ATOM 318 CB ALA A 25 -0.082 -5.047 -1.913 1.00 0.00 C
322
+ ATOM 319 H ALA A 25 -0.285 -2.204 -1.243 1.00 0.00 H
323
+ ATOM 320 HA ALA A 25 -0.160 -4.707 0.187 1.00 0.00 H
324
+ ATOM 321 HB1 ALA A 25 -1.120 -5.342 -1.968 1.00 0.00 H
325
+ ATOM 322 HB2 ALA A 25 0.540 -5.925 -1.823 1.00 0.00 H
326
+ ATOM 323 HB3 ALA A 25 0.187 -4.504 -2.807 1.00 0.00 H
327
+ ATOM 324 N LYS A 26 2.364 -4.525 -0.001 1.00 0.00 N
328
+ ATOM 325 CA LYS A 26 3.739 -4.195 0.111 1.00 0.00 C
329
+ ATOM 326 C LYS A 26 4.467 -4.647 -1.137 1.00 0.00 C
330
+ ATOM 327 O LYS A 26 4.398 -5.826 -1.528 1.00 0.00 O
331
+ ATOM 328 CB LYS A 26 4.351 -4.806 1.351 1.00 0.00 C
332
+ ATOM 329 CG LYS A 26 5.706 -4.239 1.628 1.00 0.00 C
333
+ ATOM 330 CD LYS A 26 6.296 -4.762 2.894 1.00 0.00 C
334
+ ATOM 331 CE LYS A 26 7.606 -4.077 3.163 1.00 0.00 C
335
+ ATOM 332 NZ LYS A 26 7.437 -2.615 3.342 1.00 0.00 N
336
+ ATOM 333 H LYS A 26 2.019 -5.359 0.382 1.00 0.00 H
337
+ ATOM 334 HA LYS A 26 3.832 -3.121 0.171 1.00 0.00 H
338
+ ATOM 335 HB2 LYS A 26 3.708 -4.614 2.197 1.00 0.00 H
339
+ ATOM 336 HB3 LYS A 26 4.447 -5.871 1.211 1.00 0.00 H
340
+ ATOM 337 HG2 LYS A 26 6.365 -4.482 0.808 1.00 0.00 H
341
+ ATOM 338 HG3 LYS A 26 5.610 -3.166 1.703 1.00 0.00 H
342
+ ATOM 339 HD2 LYS A 26 5.614 -4.569 3.709 1.00 0.00 H
343
+ ATOM 340 HD3 LYS A 26 6.467 -5.824 2.794 1.00 0.00 H
344
+ ATOM 341 HE2 LYS A 26 8.061 -4.500 4.045 1.00 0.00 H
345
+ ATOM 342 HE3 LYS A 26 8.230 -4.248 2.299 1.00 0.00 H
346
+ ATOM 343 HZ1 LYS A 26 8.372 -2.199 3.529 1.00 0.00 H
347
+ ATOM 344 HZ2 LYS A 26 6.834 -2.406 4.165 1.00 0.00 H
348
+ ATOM 345 HZ3 LYS A 26 7.039 -2.157 2.496 1.00 0.00 H
349
+ ATOM 346 N THR A 27 5.103 -3.717 -1.773 1.00 0.00 N
350
+ ATOM 347 CA THR A 27 5.836 -3.939 -2.976 1.00 0.00 C
351
+ ATOM 348 C THR A 27 7.269 -4.389 -2.655 1.00 0.00 C
352
+ ATOM 349 O THR A 27 7.574 -4.709 -1.502 1.00 0.00 O
353
+ ATOM 350 CB THR A 27 5.827 -2.630 -3.769 1.00 0.00 C
354
+ ATOM 351 OG1 THR A 27 6.050 -1.547 -2.851 1.00 0.00 O
355
+ ATOM 352 CG2 THR A 27 4.485 -2.431 -4.463 1.00 0.00 C
356
+ ATOM 353 H THR A 27 5.114 -2.792 -1.445 1.00 0.00 H
357
+ ATOM 354 HA THR A 27 5.330 -4.695 -3.556 1.00 0.00 H
358
+ ATOM 355 HB THR A 27 6.617 -2.653 -4.503 1.00 0.00 H
359
+ ATOM 356 HG1 THR A 27 6.936 -1.173 -2.963 1.00 0.00 H
360
+ ATOM 357 HG21 THR A 27 3.700 -2.403 -3.722 1.00 0.00 H
361
+ ATOM 358 HG22 THR A 27 4.305 -3.246 -5.147 1.00 0.00 H
362
+ ATOM 359 HG23 THR A 27 4.497 -1.499 -5.008 1.00 0.00 H
363
+ ATOM 360 N ILE A 28 8.125 -4.453 -3.655 1.00 0.00 N
364
+ ATOM 361 CA ILE A 28 9.512 -4.824 -3.429 1.00 0.00 C
365
+ ATOM 362 C ILE A 28 10.280 -3.583 -2.982 1.00 0.00 C
366
+ ATOM 363 O ILE A 28 11.091 -3.626 -2.045 1.00 0.00 O
367
+ ATOM 364 CB ILE A 28 10.173 -5.421 -4.714 1.00 0.00 C
368
+ ATOM 365 CG1 ILE A 28 9.361 -6.620 -5.252 1.00 0.00 C
369
+ ATOM 366 CG2 ILE A 28 11.623 -5.837 -4.448 1.00 0.00 C
370
+ ATOM 367 CD1 ILE A 28 9.206 -7.777 -4.274 1.00 0.00 C
371
+ ATOM 368 H ILE A 28 7.829 -4.246 -4.566 1.00 0.00 H
372
+ ATOM 369 HA ILE A 28 9.539 -5.556 -2.635 1.00 0.00 H
373
+ ATOM 370 HB ILE A 28 10.188 -4.647 -5.467 1.00 0.00 H
374
+ ATOM 371 HG12 ILE A 28 8.370 -6.280 -5.513 1.00 0.00 H
375
+ ATOM 372 HG13 ILE A 28 9.845 -6.997 -6.141 1.00 0.00 H
376
+ ATOM 373 HG21 ILE A 28 11.643 -6.593 -3.677 1.00 0.00 H
377
+ ATOM 374 HG22 ILE A 28 12.190 -4.978 -4.121 1.00 0.00 H
378
+ ATOM 375 HG23 ILE A 28 12.058 -6.233 -5.354 1.00 0.00 H
379
+ ATOM 376 HD11 ILE A 28 8.684 -7.438 -3.392 1.00 0.00 H
380
+ ATOM 377 HD12 ILE A 28 10.182 -8.145 -3.995 1.00 0.00 H
381
+ ATOM 378 HD13 ILE A 28 8.643 -8.571 -4.743 1.00 0.00 H
382
+ ATOM 379 N ALA A 29 9.996 -2.482 -3.637 1.00 0.00 N
383
+ ATOM 380 CA ALA A 29 10.607 -1.218 -3.322 1.00 0.00 C
384
+ ATOM 381 C ALA A 29 9.773 -0.495 -2.286 1.00 0.00 C
385
+ ATOM 382 O ALA A 29 8.532 -0.494 -2.374 1.00 0.00 O
386
+ ATOM 383 CB ALA A 29 10.726 -0.357 -4.569 1.00 0.00 C
387
+ ATOM 384 H ALA A 29 9.345 -2.519 -4.367 1.00 0.00 H
388
+ ATOM 385 HA ALA A 29 11.597 -1.405 -2.935 1.00 0.00 H
389
+ ATOM 386 HB1 ALA A 29 11.307 -0.866 -5.322 1.00 0.00 H
390
+ ATOM 387 HB2 ALA A 29 11.211 0.575 -4.316 1.00 0.00 H
391
+ ATOM 388 HB3 ALA A 29 9.739 -0.150 -4.955 1.00 0.00 H
392
+ ATOM 389 N PRO A 30 10.416 0.096 -1.282 1.00 0.00 N
393
+ ATOM 390 CA PRO A 30 9.730 0.858 -0.265 1.00 0.00 C
394
+ ATOM 391 C PRO A 30 9.349 2.257 -0.767 1.00 0.00 C
395
+ ATOM 392 O PRO A 30 10.209 3.126 -0.967 1.00 0.00 O
396
+ ATOM 393 CB PRO A 30 10.742 0.942 0.871 1.00 0.00 C
397
+ ATOM 394 CG PRO A 30 12.079 0.832 0.218 1.00 0.00 C
398
+ ATOM 395 CD PRO A 30 11.879 0.046 -1.049 1.00 0.00 C
399
+ ATOM 396 HA PRO A 30 8.837 0.353 0.071 1.00 0.00 H
400
+ ATOM 397 HB2 PRO A 30 10.621 1.893 1.369 1.00 0.00 H
401
+ ATOM 398 HB3 PRO A 30 10.573 0.137 1.570 1.00 0.00 H
402
+ ATOM 399 HG2 PRO A 30 12.456 1.818 -0.010 1.00 0.00 H
403
+ ATOM 400 HG3 PRO A 30 12.763 0.315 0.875 1.00 0.00 H
404
+ ATOM 401 HD2 PRO A 30 12.413 0.506 -1.868 1.00 0.00 H
405
+ ATOM 402 HD3 PRO A 30 12.208 -0.973 -0.909 1.00 0.00 H
406
+ ATOM 403 N CYS A 31 8.072 2.462 -0.978 1.00 0.00 N
407
+ ATOM 404 CA CYS A 31 7.554 3.730 -1.473 1.00 0.00 C
408
+ ATOM 405 C CYS A 31 7.716 4.827 -0.426 1.00 0.00 C
409
+ ATOM 406 O CYS A 31 7.895 6.006 -0.755 1.00 0.00 O
410
+ ATOM 407 CB CYS A 31 6.085 3.561 -1.831 1.00 0.00 C
411
+ ATOM 408 SG CYS A 31 5.104 2.862 -0.466 1.00 0.00 S
412
+ ATOM 409 H CYS A 31 7.426 1.742 -0.811 1.00 0.00 H
413
+ ATOM 410 HA CYS A 31 8.101 4.000 -2.363 1.00 0.00 H
414
+ ATOM 411 HB2 CYS A 31 5.663 4.522 -2.088 1.00 0.00 H
415
+ ATOM 412 HB3 CYS A 31 5.995 2.891 -2.672 1.00 0.00 H
416
+ TER 413 CYS A 31
417
+ END
motif_pdbs/6E83_PS01357_c1.pdb ADDED
@@ -0,0 +1,444 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 B823-853 -> A1-31
4
+ ATOM 1 N CYS A 1 19.967 -5.278 7.696 1.00 0.00 N
5
+ ATOM 2 CA CYS A 1 21.059 -5.446 6.724 1.00 0.00 C
6
+ ATOM 3 C CYS A 1 20.721 -6.616 5.785 1.00 0.00 C
7
+ ATOM 4 O CYS A 1 20.606 -7.745 6.250 1.00 0.00 O
8
+ ATOM 5 CB CYS A 1 22.400 -5.680 7.470 1.00 0.00 C
9
+ ATOM 6 SG CYS A 1 23.794 -6.078 6.358 1.00 0.00 S
10
+ ATOM 7 H CYS A 1 20.080 -5.673 8.621 1.00 0.00 H
11
+ ATOM 8 HA CYS A 1 21.148 -4.534 6.137 1.00 0.00 H
12
+ ATOM 9 HB2 CYS A 1 22.631 -4.786 8.049 1.00 0.00 H
13
+ ATOM 10 HB3 CYS A 1 22.259 -6.499 8.174 1.00 0.00 H
14
+ ATOM 11 N ASP A 2 20.570 -6.406 4.477 1.00 0.00 N
15
+ ATOM 12 CA ASP A 2 20.317 -7.505 3.530 1.00 0.00 C
16
+ ATOM 13 C ASP A 2 21.509 -8.470 3.360 1.00 0.00 C
17
+ ATOM 14 O ASP A 2 21.334 -9.599 2.895 1.00 0.00 O
18
+ ATOM 15 CB ASP A 2 19.941 -6.957 2.147 1.00 0.00 C
19
+ ATOM 16 CG ASP A 2 18.623 -6.177 2.149 1.00 0.00 C
20
+ ATOM 17 OD1 ASP A 2 17.643 -6.675 1.552 1.00 0.00 O
21
+ ATOM 18 OD2 ASP A 2 18.574 -5.061 2.717 1.00 0.00 O
22
+ ATOM 19 H ASP A 2 20.606 -5.448 4.127 1.00 0.00 H
23
+ ATOM 20 HA ASP A 2 19.476 -8.095 3.900 1.00 0.00 H
24
+ ATOM 21 HB2 ASP A 2 20.746 -6.317 1.783 1.00 0.00 H
25
+ ATOM 22 HB3 ASP A 2 19.854 -7.791 1.448 1.00 0.00 H
26
+ ATOM 23 N ASN A 3 22.722 -8.036 3.712 1.00 0.00 N
27
+ ATOM 24 CA ASN A 3 23.953 -8.778 3.446 1.00 0.00 C
28
+ ATOM 25 C ASN A 3 24.301 -9.785 4.567 1.00 0.00 C
29
+ ATOM 26 O ASN A 3 24.649 -10.925 4.256 1.00 0.00 O
30
+ ATOM 27 CB ASN A 3 25.085 -7.781 3.182 1.00 0.00 C
31
+ ATOM 28 CG ASN A 3 26.348 -8.506 2.760 1.00 0.00 C
32
+ ATOM 29 OD1 ASN A 3 26.448 -9.055 1.675 1.00 0.00 O
33
+ ATOM 30 ND2 ASN A 3 27.327 -8.560 3.627 1.00 0.00 N
34
+ ATOM 31 H ASN A 3 22.775 -7.150 4.196 1.00 0.00 H
35
+ ATOM 32 HA ASN A 3 23.816 -9.360 2.529 1.00 0.00 H
36
+ ATOM 33 HB2 ASN A 3 24.804 -7.084 2.393 1.00 0.00 H
37
+ ATOM 34 HB3 ASN A 3 25.281 -7.212 4.083 1.00 0.00 H
38
+ ATOM 35 HD21 ASN A 3 27.258 -8.041 4.503 1.00 0.00 H
39
+ ATOM 36 HD22 ASN A 3 28.140 -9.109 3.411 1.00 0.00 H
40
+ ATOM 37 N CYS A 4 24.186 -9.393 5.844 1.00 0.00 N
41
+ ATOM 38 CA CYS A 4 24.368 -10.278 7.008 1.00 0.00 C
42
+ ATOM 39 C CYS A 4 23.088 -10.524 7.854 1.00 0.00 C
43
+ ATOM 40 O CYS A 4 23.086 -11.389 8.735 1.00 0.00 O
44
+ ATOM 41 CB CYS A 4 25.550 -9.775 7.853 1.00 0.00 C
45
+ ATOM 42 SG CYS A 4 25.148 -8.247 8.736 1.00 0.00 S
46
+ ATOM 43 H CYS A 4 24.031 -8.412 6.034 1.00 0.00 H
47
+ ATOM 44 HA CYS A 4 24.660 -11.264 6.644 1.00 0.00 H
48
+ ATOM 45 HB2 CYS A 4 25.813 -10.558 8.569 1.00 0.00 H
49
+ ATOM 46 HB3 CYS A 4 26.416 -9.637 7.203 1.00 0.00 H
50
+ ATOM 47 N GLY A 5 21.989 -9.813 7.577 1.00 0.00 N
51
+ ATOM 48 CA GLY A 5 20.664 -10.073 8.149 1.00 0.00 C
52
+ ATOM 49 C GLY A 5 20.396 -9.515 9.554 1.00 0.00 C
53
+ ATOM 50 O GLY A 5 19.336 -9.817 10.103 1.00 0.00 O
54
+ ATOM 51 H GLY A 5 22.037 -9.100 6.859 1.00 0.00 H
55
+ ATOM 52 HA2 GLY A 5 19.917 -9.641 7.486 1.00 0.00 H
56
+ ATOM 53 HA3 GLY A 5 20.466 -11.140 8.143 1.00 0.00 H
57
+ ATOM 54 N ILE A 6 21.275 -8.682 10.135 1.00 0.00 N
58
+ ATOM 55 CA ILE A 6 20.973 -7.952 11.386 1.00 0.00 C
59
+ ATOM 56 C ILE A 6 19.777 -7.025 11.203 1.00 0.00 C
60
+ ATOM 57 O ILE A 6 19.838 -6.048 10.464 1.00 0.00 O
61
+ ATOM 58 CB ILE A 6 22.207 -7.213 11.973 1.00 0.00 C
62
+ ATOM 59 CG1 ILE A 6 21.781 -6.327 13.167 1.00 0.00 C
63
+ ATOM 60 CG2 ILE A 6 22.979 -6.329 10.973 1.00 0.00 C
64
+ ATOM 61 CD1 ILE A 6 22.895 -6.118 14.197 1.00 0.00 C
65
+ ATOM 62 H ILE A 6 22.141 -8.487 9.658 1.00 0.00 H
66
+ ATOM 63 HA ILE A 6 20.640 -8.682 12.126 1.00 0.00 H
67
+ ATOM 64 HB ILE A 6 22.892 -7.984 12.333 1.00 0.00 H
68
+ ATOM 65 HG12 ILE A 6 21.440 -5.356 12.811 1.00 0.00 H
69
+ ATOM 66 HG13 ILE A 6 20.939 -6.787 13.676 1.00 0.00 H
70
+ ATOM 67 HG21 ILE A 6 23.252 -6.905 10.099 1.00 0.00 H
71
+ ATOM 68 HG22 ILE A 6 23.904 -5.968 11.426 1.00 0.00 H
72
+ ATOM 69 HG23 ILE A 6 22.375 -5.478 10.658 1.00 0.00 H
73
+ ATOM 70 HD11 ILE A 6 22.511 -5.504 15.010 1.00 0.00 H
74
+ ATOM 71 HD12 ILE A 6 23.748 -5.614 13.742 1.00 0.00 H
75
+ ATOM 72 HD13 ILE A 6 23.208 -7.085 14.599 1.00 0.00 H
76
+ ATOM 73 N GLU A 7 18.682 -7.371 11.876 1.00 0.00 N
77
+ ATOM 74 CA GLU A 7 17.357 -6.783 11.716 1.00 0.00 C
78
+ ATOM 75 C GLU A 7 17.190 -5.301 11.966 1.00 0.00 C
79
+ ATOM 76 O GLU A 7 16.258 -4.712 11.413 1.00 0.00 O
80
+ ATOM 77 CB GLU A 7 16.253 -7.729 12.179 1.00 0.00 C
81
+ ATOM 78 CG GLU A 7 16.066 -8.002 13.681 1.00 0.00 C
82
+ ATOM 79 CD GLU A 7 17.278 -8.655 14.383 1.00 0.00 C
83
+ ATOM 80 OE1 GLU A 7 17.447 -8.429 15.605 1.00 0.00 O
84
+ ATOM 81 OE2 GLU A 7 18.055 -9.401 13.738 1.00 0.00 O
85
+ ATOM 82 H GLU A 7 18.699 -8.291 12.303 1.00 0.00 H
86
+ ATOM 83 HA GLU A 7 17.232 -6.725 10.668 1.00 0.00 H
87
+ ATOM 84 HB2 GLU A 7 15.324 -7.351 11.781 1.00 0.00 H
88
+ ATOM 85 HB3 GLU A 7 16.441 -8.663 11.663 1.00 0.00 H
89
+ ATOM 86 HG2 GLU A 7 15.793 -7.064 14.169 1.00 0.00 H
90
+ ATOM 87 HG3 GLU A 7 15.209 -8.672 13.789 1.00 0.00 H
91
+ ATOM 88 N PRO A 8 18.103 -4.684 12.713 1.00 0.00 N
92
+ ATOM 89 CA PRO A 8 18.133 -3.245 12.705 1.00 0.00 C
93
+ ATOM 90 C PRO A 8 19.574 -2.751 12.749 1.00 0.00 C
94
+ ATOM 91 O PRO A 8 20.345 -3.062 13.654 1.00 0.00 O
95
+ ATOM 92 CB PRO A 8 17.323 -2.847 13.892 1.00 0.00 C
96
+ ATOM 93 CG PRO A 8 17.764 -3.857 14.926 1.00 0.00 C
97
+ ATOM 94 CD PRO A 8 18.220 -5.078 14.118 1.00 0.00 C
98
+ ATOM 95 HA PRO A 8 17.649 -2.852 11.823 1.00 0.00 H
99
+ ATOM 96 HB2 PRO A 8 17.568 -1.828 14.152 1.00 0.00 H
100
+ ATOM 97 HB3 PRO A 8 16.269 -2.991 13.655 1.00 0.00 H
101
+ ATOM 98 HG2 PRO A 8 18.613 -3.433 15.434 1.00 0.00 H
102
+ ATOM 99 HG3 PRO A 8 16.946 -4.060 15.602 1.00 0.00 H
103
+ ATOM 100 HD2 PRO A 8 19.255 -5.322 14.362 1.00 0.00 H
104
+ ATOM 101 HD3 PRO A 8 17.584 -5.923 14.356 1.00 0.00 H
105
+ ATOM 102 N ILE A 9 19.967 -1.983 11.748 1.00 0.00 N
106
+ ATOM 103 CA ILE A 9 21.375 -1.635 11.584 1.00 0.00 C
107
+ ATOM 104 C ILE A 9 21.827 -0.679 12.694 1.00 0.00 C
108
+ ATOM 105 O ILE A 9 21.371 0.462 12.749 1.00 0.00 O
109
+ ATOM 106 CB ILE A 9 21.580 -1.097 10.167 1.00 0.00 C
110
+ ATOM 107 CG1 ILE A 9 21.399 -2.237 9.135 1.00 0.00 C
111
+ ATOM 108 CG2 ILE A 9 22.984 -0.505 10.048 1.00 0.00 C
112
+ ATOM 109 CD1 ILE A 9 20.764 -1.713 7.848 1.00 0.00 C
113
+ ATOM 110 H ILE A 9 19.308 -1.781 10.999 1.00 0.00 H
114
+ ATOM 111 HA ILE A 9 21.969 -2.547 11.672 1.00 0.00 H
115
+ ATOM 112 HB ILE A 9 20.849 -0.306 9.981 1.00 0.00 H
116
+ ATOM 113 HG12 ILE A 9 22.370 -2.662 8.887 1.00 0.00 H
117
+ ATOM 114 HG13 ILE A 9 20.778 -3.046 9.540 1.00 0.00 H
118
+ ATOM 115 HG21 ILE A 9 23.048 0.410 10.632 1.00 0.00 H
119
+ ATOM 116 HG22 ILE A 9 23.189 -0.274 9.006 1.00 0.00 H
120
+ ATOM 117 HG23 ILE A 9 23.732 -1.209 10.415 1.00 0.00 H
121
+ ATOM 118 HD11 ILE A 9 20.801 -2.484 7.083 1.00 0.00 H
122
+ ATOM 119 HD12 ILE A 9 21.297 -0.832 7.499 1.00 0.00 H
123
+ ATOM 120 HD13 ILE A 9 19.727 -1.431 8.019 1.00 0.00 H
124
+ ATOM 121 N GLN A 10 22.696 -1.171 13.583 1.00 0.00 N
125
+ ATOM 122 CA GLN A 10 23.320 -0.437 14.689 1.00 0.00 C
126
+ ATOM 123 C GLN A 10 24.722 0.111 14.319 1.00 0.00 C
127
+ ATOM 124 O GLN A 10 25.456 -0.512 13.551 1.00 0.00 O
128
+ ATOM 125 CB GLN A 10 23.323 -1.301 15.967 1.00 0.00 C
129
+ ATOM 126 CG GLN A 10 21.942 -1.926 16.284 1.00 0.00 C
130
+ ATOM 127 CD GLN A 10 21.638 -2.085 17.779 1.00 0.00 C
131
+ ATOM 128 OE1 GLN A 10 22.517 -2.217 18.623 1.00 0.00 O
132
+ ATOM 129 NE2 GLN A 10 20.377 -2.077 18.167 1.00 0.00 N
133
+ ATOM 130 H GLN A 10 22.892 -2.158 13.537 1.00 0.00 H
134
+ ATOM 131 HA GLN A 10 22.689 0.409 14.916 1.00 0.00 H
135
+ ATOM 132 HB2 GLN A 10 24.059 -2.101 15.871 1.00 0.00 H
136
+ ATOM 133 HB3 GLN A 10 23.634 -0.659 16.794 1.00 0.00 H
137
+ ATOM 134 HG2 GLN A 10 21.147 -1.316 15.845 1.00 0.00 H
138
+ ATOM 135 HG3 GLN A 10 21.882 -2.910 15.819 1.00 0.00 H
139
+ ATOM 136 HE21 GLN A 10 19.619 -1.938 17.513 1.00 0.00 H
140
+ ATOM 137 HE22 GLN A 10 20.190 -2.110 19.159 1.00 0.00 H
141
+ ATOM 138 N GLY A 11 25.092 1.281 14.860 1.00 0.00 N
142
+ ATOM 139 CA GLY A 11 26.323 2.033 14.549 1.00 0.00 C
143
+ ATOM 140 C GLY A 11 26.085 3.242 13.674 1.00 0.00 C
144
+ ATOM 141 O GLY A 11 26.150 4.358 14.181 1.00 0.00 O
145
+ ATOM 142 H GLY A 11 24.375 1.783 15.372 1.00 0.00 H
146
+ ATOM 143 HA2 GLY A 11 26.804 2.389 15.448 1.00 0.00 H
147
+ ATOM 144 HA3 GLY A 11 27.022 1.420 14.010 1.00 0.00 H
148
+ ATOM 145 N VAL A 12 25.834 2.973 12.391 1.00 0.00 N
149
+ ATOM 146 CA VAL A 12 25.360 3.854 11.312 1.00 0.00 C
150
+ ATOM 147 C VAL A 12 24.562 3.002 10.328 1.00 0.00 C
151
+ ATOM 148 O VAL A 12 24.971 1.879 10.030 1.00 0.00 O
152
+ ATOM 149 CB VAL A 12 26.495 4.535 10.528 1.00 0.00 C
153
+ ATOM 150 CG1 VAL A 12 27.223 5.537 11.401 1.00 0.00 C
154
+ ATOM 151 CG2 VAL A 12 27.512 3.616 9.850 1.00 0.00 C
155
+ ATOM 152 H VAL A 12 25.922 2.004 12.123 1.00 0.00 H
156
+ ATOM 153 HA VAL A 12 24.708 4.630 11.720 1.00 0.00 H
157
+ ATOM 154 HB VAL A 12 26.028 5.089 9.729 1.00 0.00 H
158
+ ATOM 155 HG11 VAL A 12 26.496 6.235 11.815 1.00 0.00 H
159
+ ATOM 156 HG12 VAL A 12 27.937 6.073 10.783 1.00 0.00 H
160
+ ATOM 157 HG13 VAL A 12 27.761 5.032 12.202 1.00 0.00 H
161
+ ATOM 158 HG21 VAL A 12 27.030 3.017 9.072 1.00 0.00 H
162
+ ATOM 159 HG22 VAL A 12 27.979 2.974 10.594 1.00 0.00 H
163
+ ATOM 160 HG23 VAL A 12 28.281 4.213 9.359 1.00 0.00 H
164
+ ATOM 161 N ARG A 13 23.458 3.515 9.777 1.00 0.00 N
165
+ ATOM 162 CA ARG A 13 22.756 2.839 8.667 1.00 0.00 C
166
+ ATOM 163 C ARG A 13 23.392 3.165 7.317 1.00 0.00 C
167
+ ATOM 164 O ARG A 13 23.616 4.329 7.020 1.00 0.00 O
168
+ ATOM 165 CB ARG A 13 21.253 3.133 8.745 1.00 0.00 C
169
+ ATOM 166 CG ARG A 13 20.441 2.630 7.536 1.00 0.00 C
170
+ ATOM 167 CD ARG A 13 18.963 2.912 7.805 1.00 0.00 C
171
+ ATOM 168 NE ARG A 13 18.112 2.670 6.636 1.00 0.00 N
172
+ ATOM 169 CZ ARG A 13 16.890 3.124 6.449 1.00 0.00 C
173
+ ATOM 170 NH1 ARG A 13 16.308 2.834 5.327 1.00 0.00 N
174
+ ATOM 171 NH2 ARG A 13 16.257 3.832 7.343 1.00 0.00 N
175
+ ATOM 172 H ARG A 13 23.164 4.448 10.064 1.00 0.00 H
176
+ ATOM 173 HA ARG A 13 22.866 1.770 8.794 1.00 0.00 H
177
+ ATOM 174 HB2 ARG A 13 20.876 2.643 9.644 1.00 0.00 H
178
+ ATOM 175 HB3 ARG A 13 21.095 4.205 8.858 1.00 0.00 H
179
+ ATOM 176 HG2 ARG A 13 20.744 3.162 6.632 1.00 0.00 H
180
+ ATOM 177 HG3 ARG A 13 20.592 1.559 7.398 1.00 0.00 H
181
+ ATOM 178 HD2 ARG A 13 18.623 2.279 8.622 1.00 0.00 H
182
+ ATOM 179 HD3 ARG A 13 18.868 3.962 8.092 1.00 0.00 H
183
+ ATOM 180 HE ARG A 13 18.450 2.064 5.888 1.00 0.00 H
184
+ ATOM 181 HH11 ARG A 13 16.822 2.215 4.692 1.00 0.00 H
185
+ ATOM 182 HH12 ARG A 13 15.394 3.181 5.094 1.00 0.00 H
186
+ ATOM 183 HH21 ARG A 13 16.674 3.969 8.255 1.00 0.00 H
187
+ ATOM 184 HH22 ARG A 13 15.298 4.099 7.194 1.00 0.00 H
188
+ ATOM 185 N TRP A 14 23.637 2.156 6.484 1.00 0.00 N
189
+ ATOM 186 CA TRP A 14 24.035 2.314 5.085 1.00 0.00 C
190
+ ATOM 187 C TRP A 14 22.820 2.038 4.182 1.00 0.00 C
191
+ ATOM 188 O TRP A 14 22.524 0.896 3.844 1.00 0.00 O
192
+ ATOM 189 CB TRP A 14 25.226 1.381 4.842 1.00 0.00 C
193
+ ATOM 190 CG TRP A 14 26.554 1.957 5.198 1.00 0.00 C
194
+ ATOM 191 CD1 TRP A 14 27.250 1.643 6.311 1.00 0.00 C
195
+ ATOM 192 CD2 TRP A 14 27.389 2.893 4.452 1.00 0.00 C
196
+ ATOM 193 NE1 TRP A 14 28.493 2.240 6.266 1.00 0.00 N
197
+ ATOM 194 CE2 TRP A 14 28.616 3.063 5.164 1.00 0.00 C
198
+ ATOM 195 CE3 TRP A 14 27.254 3.572 3.223 1.00 0.00 C
199
+ ATOM 196 CZ2 TRP A 14 29.660 3.861 4.677 1.00 0.00 C
200
+ ATOM 197 CZ3 TRP A 14 28.304 4.365 2.716 1.00 0.00 C
201
+ ATOM 198 CH2 TRP A 14 29.498 4.519 3.445 1.00 0.00 C
202
+ ATOM 199 H TRP A 14 23.539 1.197 6.802 1.00 0.00 H
203
+ ATOM 200 HA TRP A 14 24.374 3.334 4.896 1.00 0.00 H
204
+ ATOM 201 HB2 TRP A 14 25.117 0.472 5.412 1.00 0.00 H
205
+ ATOM 202 HB3 TRP A 14 25.242 1.026 3.822 1.00 0.00 H
206
+ ATOM 203 HD1 TRP A 14 26.910 0.955 7.076 1.00 0.00 H
207
+ ATOM 204 HE1 TRP A 14 29.263 1.965 6.887 1.00 0.00 H
208
+ ATOM 205 HE3 TRP A 14 26.341 3.463 2.657 1.00 0.00 H
209
+ ATOM 206 HZ2 TRP A 14 30.586 3.948 5.231 1.00 0.00 H
210
+ ATOM 207 HZ3 TRP A 14 28.197 4.854 1.756 1.00 0.00 H
211
+ ATOM 208 HH2 TRP A 14 30.298 5.132 3.048 1.00 0.00 H
212
+ ATOM 209 N HIS A 15 22.059 3.078 3.846 1.00 0.00 N
213
+ ATOM 210 CA HIS A 15 20.839 2.973 3.030 1.00 0.00 C
214
+ ATOM 211 C HIS A 15 21.166 2.766 1.542 1.00 0.00 C
215
+ ATOM 212 O HIS A 15 22.064 3.434 1.015 1.00 0.00 O
216
+ ATOM 213 CB HIS A 15 20.012 4.245 3.243 1.00 0.00 C
217
+ ATOM 214 CG HIS A 15 18.816 4.367 2.334 1.00 0.00 C
218
+ ATOM 215 ND1 HIS A 15 17.723 3.497 2.304 1.00 0.00 N
219
+ ATOM 216 CD2 HIS A 15 18.607 5.375 1.440 1.00 0.00 C
220
+ ATOM 217 CE1 HIS A 15 16.882 3.998 1.384 1.00 0.00 C
221
+ ATOM 218 NE2 HIS A 15 17.385 5.128 0.852 1.00 0.00 N
222
+ ATOM 219 H HIS A 15 22.400 4.008 4.072 1.00 0.00 H
223
+ ATOM 220 HA HIS A 15 20.241 2.120 3.361 1.00 0.00 H
224
+ ATOM 221 HB2 HIS A 15 19.664 4.266 4.274 1.00 0.00 H
225
+ ATOM 222 HB3 HIS A 15 20.651 5.113 3.080 1.00 0.00 H
226
+ ATOM 223 HD2 HIS A 15 19.264 6.215 1.254 1.00 0.00 H
227
+ ATOM 224 HE1 HIS A 15 15.927 3.561 1.115 1.00 0.00 H
228
+ ATOM 225 HE2 HIS A 15 16.918 5.705 0.160 1.00 0.00 H
229
+ ATOM 226 N CYS A 16 20.432 1.888 0.850 1.00 0.00 N
230
+ ATOM 227 CA CYS A 16 20.515 1.755 -0.598 1.00 0.00 C
231
+ ATOM 228 C CYS A 16 19.704 2.884 -1.282 1.00 0.00 C
232
+ ATOM 229 O CYS A 16 18.469 2.868 -1.311 1.00 0.00 O
233
+ ATOM 230 CB CYS A 16 20.017 0.358 -0.996 1.00 0.00 C
234
+ ATOM 231 SG CYS A 16 21.293 -0.908 -1.019 1.00 0.00 S
235
+ ATOM 232 H CYS A 16 19.690 1.368 1.299 1.00 0.00 H
236
+ ATOM 233 HA CYS A 16 21.553 1.857 -0.916 1.00 0.00 H
237
+ ATOM 234 HB2 CYS A 16 19.225 0.065 -0.331 1.00 0.00 H
238
+ ATOM 235 HB3 CYS A 16 19.561 0.429 -1.962 1.00 0.00 H
239
+ ATOM 236 N GLN A 17 20.419 3.843 -1.879 1.00 0.00 N
240
+ ATOM 237 CA GLN A 17 19.898 5.069 -2.484 1.00 0.00 C
241
+ ATOM 238 C GLN A 17 18.958 4.879 -3.687 1.00 0.00 C
242
+ ATOM 239 O GLN A 17 18.016 5.662 -3.827 1.00 0.00 O
243
+ ATOM 240 CB GLN A 17 21.095 5.928 -2.938 1.00 0.00 C
244
+ ATOM 241 CG GLN A 17 21.853 6.580 -1.776 1.00 0.00 C
245
+ ATOM 242 CD GLN A 17 21.145 7.853 -1.335 1.00 0.00 C
246
+ ATOM 243 OE1 GLN A 17 20.346 7.869 -0.410 1.00 0.00 O
247
+ ATOM 244 NE2 GLN A 17 21.372 8.959 -2.007 1.00 0.00 N
248
+ ATOM 245 H GLN A 17 21.424 3.717 -1.900 1.00 0.00 H
249
+ ATOM 246 HA GLN A 17 19.336 5.616 -1.725 1.00 0.00 H
250
+ ATOM 247 HB2 GLN A 17 21.772 5.315 -3.504 1.00 0.00 H
251
+ ATOM 248 HB3 GLN A 17 20.802 6.694 -3.652 1.00 0.00 H
252
+ ATOM 249 HG2 GLN A 17 21.945 5.897 -0.930 1.00 0.00 H
253
+ ATOM 250 HG3 GLN A 17 22.858 6.836 -2.115 1.00 0.00 H
254
+ ATOM 251 HE21 GLN A 17 22.021 8.979 -2.779 1.00 0.00 H
255
+ ATOM 252 HE22 GLN A 17 20.859 9.782 -1.744 1.00 0.00 H
256
+ ATOM 253 N ASP A 18 19.196 3.904 -4.575 1.00 0.00 N
257
+ ATOM 254 CA ASP A 18 18.471 3.800 -5.853 1.00 0.00 C
258
+ ATOM 255 C ASP A 18 17.378 2.729 -5.807 1.00 0.00 C
259
+ ATOM 256 O ASP A 18 16.371 2.829 -6.517 1.00 0.00 O
260
+ ATOM 257 CB ASP A 18 19.442 3.488 -7.005 1.00 0.00 C
261
+ ATOM 258 CG ASP A 18 19.071 4.120 -8.360 1.00 0.00 C
262
+ ATOM 259 OD1 ASP A 18 19.727 3.771 -9.371 1.00 0.00 O
263
+ ATOM 260 OD2 ASP A 18 18.157 4.974 -8.443 1.00 0.00 O
264
+ ATOM 261 H ASP A 18 19.882 3.183 -4.382 1.00 0.00 H
265
+ ATOM 262 HA ASP A 18 17.998 4.759 -6.055 1.00 0.00 H
266
+ ATOM 263 HB2 ASP A 18 20.424 3.847 -6.711 1.00 0.00 H
267
+ ATOM 264 HB3 ASP A 18 19.520 2.407 -7.142 1.00 0.00 H
268
+ ATOM 265 N CYS A 19 17.568 1.713 -4.961 1.00 0.00 N
269
+ ATOM 266 CA CYS A 19 16.620 0.634 -4.781 1.00 0.00 C
270
+ ATOM 267 C CYS A 19 15.248 1.175 -4.259 1.00 0.00 C
271
+ ATOM 268 O CYS A 19 15.210 2.071 -3.404 1.00 0.00 O
272
+ ATOM 269 CB CYS A 19 17.185 -0.444 -3.844 1.00 0.00 C
273
+ ATOM 270 SG CYS A 19 18.978 -0.841 -3.957 1.00 0.00 S
274
+ ATOM 271 H CYS A 19 18.437 1.644 -4.460 1.00 0.00 H
275
+ ATOM 272 HA CYS A 19 16.505 0.183 -5.764 1.00 0.00 H
276
+ ATOM 273 HB2 CYS A 19 16.870 -0.159 -2.863 1.00 0.00 H
277
+ ATOM 274 HB3 CYS A 19 16.600 -1.339 -3.973 1.00 0.00 H
278
+ ATOM 275 N PRO A 20 14.122 0.644 -4.764 1.00 0.00 N
279
+ ATOM 276 CA PRO A 20 12.749 1.111 -4.546 1.00 0.00 C
280
+ ATOM 277 C PRO A 20 12.162 0.593 -3.215 1.00 0.00 C
281
+ ATOM 278 O PRO A 20 12.787 -0.251 -2.570 1.00 0.00 O
282
+ ATOM 279 CB PRO A 20 12.000 0.550 -5.767 1.00 0.00 C
283
+ ATOM 280 CG PRO A 20 12.676 -0.800 -5.961 1.00 0.00 C
284
+ ATOM 281 CD PRO A 20 14.127 -0.461 -5.686 1.00 0.00 C
285
+ ATOM 282 HA PRO A 20 12.713 2.203 -4.561 1.00 0.00 H
286
+ ATOM 283 HB2 PRO A 20 10.931 0.424 -5.620 1.00 0.00 H
287
+ ATOM 284 HB3 PRO A 20 12.184 1.183 -6.637 1.00 0.00 H
288
+ ATOM 285 HG2 PRO A 20 12.297 -1.520 -5.236 1.00 0.00 H
289
+ ATOM 286 HG3 PRO A 20 12.575 -1.172 -6.967 1.00 0.00 H
290
+ ATOM 287 HD2 PRO A 20 14.664 -1.318 -5.280 1.00 0.00 H
291
+ ATOM 288 HD3 PRO A 20 14.600 -0.112 -6.596 1.00 0.00 H
292
+ ATOM 289 N PRO A 21 10.935 0.993 -2.818 1.00 0.00 N
293
+ ATOM 290 CA PRO A 21 10.288 0.496 -1.596 1.00 0.00 C
294
+ ATOM 291 C PRO A 21 10.109 -1.029 -1.535 1.00 0.00 C
295
+ ATOM 292 O PRO A 21 9.992 -1.582 -0.443 1.00 0.00 O
296
+ ATOM 293 CB PRO A 21 8.901 1.141 -1.543 1.00 0.00 C
297
+ ATOM 294 CG PRO A 21 8.932 2.287 -2.545 1.00 0.00 C
298
+ ATOM 295 CD PRO A 21 10.091 1.975 -3.487 1.00 0.00 C
299
+ ATOM 296 HA PRO A 21 10.866 0.830 -0.734 1.00 0.00 H
300
+ ATOM 297 HB2 PRO A 21 8.137 0.427 -1.861 1.00 0.00 H
301
+ ATOM 298 HB3 PRO A 21 8.672 1.498 -0.537 1.00 0.00 H
302
+ ATOM 299 HG2 PRO A 21 7.991 2.300 -3.094 1.00 0.00 H
303
+ ATOM 300 HG3 PRO A 21 9.111 3.232 -2.028 1.00 0.00 H
304
+ ATOM 301 HD2 PRO A 21 9.691 1.552 -4.409 1.00 0.00 H
305
+ ATOM 302 HD3 PRO A 21 10.645 2.889 -3.706 1.00 0.00 H
306
+ ATOM 303 N GLU A 22 10.073 -1.718 -2.684 1.00 0.00 N
307
+ ATOM 304 CA GLU A 22 9.782 -3.153 -2.753 1.00 0.00 C
308
+ ATOM 305 C GLU A 22 10.991 -3.975 -2.290 1.00 0.00 C
309
+ ATOM 306 O GLU A 22 10.888 -5.036 -1.673 1.00 0.00 O
310
+ ATOM 307 CB GLU A 22 9.499 -3.538 -4.215 1.00 0.00 C
311
+ ATOM 308 CG GLU A 22 8.061 -3.284 -4.674 1.00 0.00 C
312
+ ATOM 309 CD GLU A 22 7.660 -1.795 -4.698 1.00 0.00 C
313
+ ATOM 310 OE1 GLU A 22 8.390 -0.972 -5.301 1.00 0.00 O
314
+ ATOM 311 OE2 GLU A 22 6.578 -1.450 -4.157 1.00 0.00 O
315
+ ATOM 312 H GLU A 22 10.311 -1.261 -3.555 1.00 0.00 H
316
+ ATOM 313 HA GLU A 22 8.919 -3.358 -2.119 1.00 0.00 H
317
+ ATOM 314 HB2 GLU A 22 10.190 -3.015 -4.878 1.00 0.00 H
318
+ ATOM 315 HB3 GLU A 22 9.705 -4.601 -4.339 1.00 0.00 H
319
+ ATOM 316 HG2 GLU A 22 7.988 -3.683 -5.683 1.00 0.00 H
320
+ ATOM 317 HG3 GLU A 22 7.381 -3.853 -4.034 1.00 0.00 H
321
+ ATOM 318 N MET A 23 12.154 -3.435 -2.648 1.00 0.00 N
322
+ ATOM 319 CA MET A 23 13.494 -3.964 -2.585 1.00 0.00 C
323
+ ATOM 320 C MET A 23 14.348 -2.950 -1.830 1.00 0.00 C
324
+ ATOM 321 O MET A 23 15.389 -2.487 -2.284 1.00 0.00 O
325
+ ATOM 322 CB MET A 23 13.885 -4.100 -4.042 1.00 0.00 C
326
+ ATOM 323 CG MET A 23 15.276 -4.677 -4.271 1.00 0.00 C
327
+ ATOM 324 SD MET A 23 15.578 -6.353 -3.629 1.00 0.00 S
328
+ ATOM 325 CE MET A 23 14.469 -7.334 -4.676 1.00 0.00 C
329
+ ATOM 326 H MET A 23 12.111 -2.577 -3.175 1.00 0.00 H
330
+ ATOM 327 HA MET A 23 13.506 -4.929 -2.080 1.00 0.00 H
331
+ ATOM 328 HB2 MET A 23 13.159 -4.730 -4.512 1.00 0.00 H
332
+ ATOM 329 HB3 MET A 23 13.770 -3.113 -4.500 1.00 0.00 H
333
+ ATOM 330 HG2 MET A 23 15.454 -4.669 -5.327 1.00 0.00 H
334
+ ATOM 331 HG3 MET A 23 16.001 -3.999 -3.852 1.00 0.00 H
335
+ ATOM 332 HE1 MET A 23 13.434 -7.061 -4.478 1.00 0.00 H
336
+ ATOM 333 HE2 MET A 23 14.604 -8.393 -4.453 1.00 0.00 H
337
+ ATOM 334 HE3 MET A 23 14.701 -7.161 -5.725 1.00 0.00 H
338
+ ATOM 335 N SER A 24 13.833 -2.491 -0.699 1.00 0.00 N
339
+ ATOM 336 CA SER A 24 14.412 -1.360 0.019 1.00 0.00 C
340
+ ATOM 337 C SER A 24 15.591 -1.826 0.853 1.00 0.00 C
341
+ ATOM 338 O SER A 24 15.530 -1.982 2.074 1.00 0.00 O
342
+ ATOM 339 CB SER A 24 13.323 -0.620 0.775 1.00 0.00 C
343
+ ATOM 340 OG SER A 24 12.565 -1.497 1.602 1.00 0.00 O
344
+ ATOM 341 H SER A 24 12.963 -2.894 -0.379 1.00 0.00 H
345
+ ATOM 342 HA SER A 24 14.817 -0.669 -0.723 1.00 0.00 H
346
+ ATOM 343 HB2 SER A 24 13.765 0.175 1.376 1.00 0.00 H
347
+ ATOM 344 HB3 SER A 24 12.700 -0.184 -0.006 1.00 0.00 H
348
+ ATOM 345 HG SER A 24 11.666 -1.591 1.228 1.00 0.00 H
349
+ ATOM 346 N LEU A 25 16.664 -2.146 0.135 1.00 0.00 N
350
+ ATOM 347 CA LEU A 25 17.873 -2.657 0.723 1.00 0.00 C
351
+ ATOM 348 C LEU A 25 18.458 -1.658 1.738 1.00 0.00 C
352
+ ATOM 349 O LEU A 25 18.272 -0.438 1.675 1.00 0.00 O
353
+ ATOM 350 CB LEU A 25 18.943 -2.986 -0.317 1.00 0.00 C
354
+ ATOM 351 CG LEU A 25 18.941 -4.410 -0.871 1.00 0.00 C
355
+ ATOM 352 CD1 LEU A 25 18.225 -4.506 -2.195 1.00 0.00 C
356
+ ATOM 353 CD2 LEU A 25 20.366 -4.937 -1.047 1.00 0.00 C
357
+ ATOM 354 H LEU A 25 16.594 -2.084 -0.872 1.00 0.00 H
358
+ ATOM 355 HA LEU A 25 17.595 -3.585 1.201 1.00 0.00 H
359
+ ATOM 356 HB2 LEU A 25 18.902 -2.267 -1.127 1.00 0.00 H
360
+ ATOM 357 HB3 LEU A 25 19.897 -2.875 0.193 1.00 0.00 H
361
+ ATOM 358 HG LEU A 25 18.419 -5.055 -0.192 1.00 0.00 H
362
+ ATOM 359 HD11 LEU A 25 18.628 -3.760 -2.869 1.00 0.00 H
363
+ ATOM 360 HD12 LEU A 25 17.172 -4.334 -2.013 1.00 0.00 H
364
+ ATOM 361 HD13 LEU A 25 18.357 -5.506 -2.603 1.00 0.00 H
365
+ ATOM 362 HD21 LEU A 25 20.874 -4.932 -0.085 1.00 0.00 H
366
+ ATOM 363 HD22 LEU A 25 20.911 -4.296 -1.730 1.00 0.00 H
367
+ ATOM 364 HD23 LEU A 25 20.351 -5.957 -1.431 1.00 0.00 H
368
+ ATOM 365 N ASP A 26 19.193 -2.222 2.674 1.00 0.00 N
369
+ ATOM 366 CA ASP A 26 20.051 -1.530 3.617 1.00 0.00 C
370
+ ATOM 367 C ASP A 26 21.238 -2.442 3.941 1.00 0.00 C
371
+ ATOM 368 O ASP A 26 21.117 -3.667 3.893 1.00 0.00 O
372
+ ATOM 369 CB ASP A 26 19.337 -1.134 4.911 1.00 0.00 C
373
+ ATOM 370 CG ASP A 26 18.055 -0.330 4.714 1.00 0.00 C
374
+ ATOM 371 OD1 ASP A 26 18.170 0.904 4.552 1.00 0.00 O
375
+ ATOM 372 OD2 ASP A 26 16.961 -0.931 4.829 1.00 0.00 O
376
+ ATOM 373 H ASP A 26 19.242 -3.233 2.658 1.00 0.00 H
377
+ ATOM 374 HA ASP A 26 20.428 -0.621 3.146 1.00 0.00 H
378
+ ATOM 375 HB2 ASP A 26 19.103 -2.033 5.474 1.00 0.00 H
379
+ ATOM 376 HB3 ASP A 26 20.030 -0.536 5.503 1.00 0.00 H
380
+ ATOM 377 N PHE A 27 22.371 -1.848 4.292 1.00 0.00 N
381
+ ATOM 378 CA PHE A 27 23.552 -2.535 4.788 1.00 0.00 C
382
+ ATOM 379 C PHE A 27 23.964 -1.986 6.154 1.00 0.00 C
383
+ ATOM 380 O PHE A 27 23.594 -0.868 6.526 1.00 0.00 O
384
+ ATOM 381 CB PHE A 27 24.702 -2.446 3.775 1.00 0.00 C
385
+ ATOM 382 CG PHE A 27 24.499 -3.120 2.419 1.00 0.00 C
386
+ ATOM 383 CD1 PHE A 27 25.124 -2.569 1.281 1.00 0.00 C
387
+ ATOM 384 CD2 PHE A 27 23.727 -4.297 2.277 1.00 0.00 C
388
+ ATOM 385 CE1 PHE A 27 24.986 -3.184 0.024 1.00 0.00 C
389
+ ATOM 386 CE2 PHE A 27 23.544 -4.878 1.007 1.00 0.00 C
390
+ ATOM 387 CZ PHE A 27 24.192 -4.333 -0.112 1.00 0.00 C
391
+ ATOM 388 H PHE A 27 22.401 -0.835 4.290 1.00 0.00 H
392
+ ATOM 389 HA PHE A 27 23.330 -3.575 4.939 1.00 0.00 H
393
+ ATOM 390 HB2 PHE A 27 24.921 -1.393 3.609 1.00 0.00 H
394
+ ATOM 391 HB3 PHE A 27 25.585 -2.881 4.241 1.00 0.00 H
395
+ ATOM 392 HD1 PHE A 27 25.714 -1.669 1.364 1.00 0.00 H
396
+ ATOM 393 HD2 PHE A 27 23.255 -4.752 3.131 1.00 0.00 H
397
+ ATOM 394 HE1 PHE A 27 25.475 -2.767 -0.845 1.00 0.00 H
398
+ ATOM 395 HE2 PHE A 27 22.895 -5.737 0.875 1.00 0.00 H
399
+ ATOM 396 HZ PHE A 27 24.071 -4.797 -1.083 1.00 0.00 H
400
+ ATOM 397 N CYS A 28 24.704 -2.788 6.915 1.00 0.00 N
401
+ ATOM 398 CA CYS A 28 25.379 -2.336 8.123 1.00 0.00 C
402
+ ATOM 399 C CYS A 28 26.813 -1.878 7.787 1.00 0.00 C
403
+ ATOM 400 O CYS A 28 27.311 -2.131 6.688 1.00 0.00 O
404
+ ATOM 401 CB CYS A 28 25.260 -3.406 9.233 1.00 0.00 C
405
+ ATOM 402 SG CYS A 28 26.074 -4.965 8.824 1.00 0.00 S
406
+ ATOM 403 H CYS A 28 24.909 -3.721 6.591 1.00 0.00 H
407
+ ATOM 404 HA CYS A 28 24.878 -1.437 8.464 1.00 0.00 H
408
+ ATOM 405 HB2 CYS A 28 25.685 -3.004 10.156 1.00 0.00 H
409
+ ATOM 406 HB3 CYS A 28 24.201 -3.597 9.421 1.00 0.00 H
410
+ ATOM 407 N ASP A 29 27.479 -1.157 8.697 1.00 0.00 N
411
+ ATOM 408 CA ASP A 29 28.840 -0.658 8.427 1.00 0.00 C
412
+ ATOM 409 C ASP A 29 29.885 -1.786 8.298 1.00 0.00 C
413
+ ATOM 410 O ASP A 29 30.926 -1.620 7.660 1.00 0.00 O
414
+ ATOM 411 CB ASP A 29 29.199 0.423 9.446 1.00 0.00 C
415
+ ATOM 412 CG ASP A 29 30.542 1.093 9.126 1.00 0.00 C
416
+ ATOM 413 OD1 ASP A 29 31.455 1.053 9.985 1.00 0.00 O
417
+ ATOM 414 OD2 ASP A 29 30.664 1.682 8.026 1.00 0.00 O
418
+ ATOM 415 H ASP A 29 27.034 -0.920 9.573 1.00 0.00 H
419
+ ATOM 416 HA ASP A 29 28.826 -0.179 7.449 1.00 0.00 H
420
+ ATOM 417 HB2 ASP A 29 28.424 1.176 9.387 1.00 0.00 H
421
+ ATOM 418 HB3 ASP A 29 29.186 0.036 10.463 1.00 0.00 H
422
+ ATOM 419 N SER A 30 29.576 -2.970 8.835 1.00 0.00 N
423
+ ATOM 420 CA SER A 30 30.338 -4.205 8.600 1.00 0.00 C
424
+ ATOM 421 C SER A 30 30.155 -4.724 7.166 1.00 0.00 C
425
+ ATOM 422 O SER A 30 31.017 -5.454 6.667 1.00 0.00 O
426
+ ATOM 423 CB SER A 30 29.787 -5.327 9.486 1.00 0.00 C
427
+ ATOM 424 OG SER A 30 29.942 -5.051 10.872 1.00 0.00 O
428
+ ATOM 425 H SER A 30 28.721 -3.042 9.362 1.00 0.00 H
429
+ ATOM 426 HA SER A 30 31.399 -4.051 8.799 1.00 0.00 H
430
+ ATOM 427 HB2 SER A 30 28.733 -5.441 9.253 1.00 0.00 H
431
+ ATOM 428 HB3 SER A 30 30.244 -6.280 9.222 1.00 0.00 H
432
+ ATOM 429 HG SER A 30 30.890 -5.120 11.119 1.00 0.00 H
433
+ ATOM 430 N CYS A 31 29.032 -4.372 6.532 1.00 0.00 N
434
+ ATOM 431 CA CYS A 31 28.549 -4.927 5.276 1.00 0.00 C
435
+ ATOM 432 C CYS A 31 28.585 -3.991 4.041 1.00 0.00 C
436
+ ATOM 433 O CYS A 31 28.527 -4.505 2.922 1.00 0.00 O
437
+ ATOM 434 CB CYS A 31 27.122 -5.466 5.512 1.00 0.00 C
438
+ ATOM 435 SG CYS A 31 27.182 -7.090 6.293 1.00 0.00 S
439
+ ATOM 436 H CYS A 31 28.417 -3.719 6.999 1.00 0.00 H
440
+ ATOM 437 HA CYS A 31 29.184 -5.781 5.051 1.00 0.00 H
441
+ ATOM 438 HB2 CYS A 31 26.562 -4.768 6.136 1.00 0.00 H
442
+ ATOM 439 HB3 CYS A 31 26.617 -5.537 4.550 1.00 0.00 H
443
+ TER 440 CYS A 31
444
+ END
motif_pdbs/6F2D_PS01060_c1.pdb ADDED
@@ -0,0 +1,130 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A172-187 -> A1-16
4
+ ATOM 1 N PRO A 1 122.018 85.485 131.936 1.00227.00 N
5
+ ATOM 2 CA PRO A 1 122.060 85.827 130.507 1.00227.00 C
6
+ ATOM 3 C PRO A 1 121.355 84.814 129.630 1.00227.00 C
7
+ ATOM 4 O PRO A 1 120.543 85.189 128.773 1.00227.00 O
8
+ ATOM 5 CB PRO A 1 123.558 85.885 130.224 1.00227.00 C
9
+ ATOM 6 CG PRO A 1 124.141 84.931 131.177 1.00227.00 C
10
+ ATOM 7 CD PRO A 1 123.331 85.024 132.418 1.00227.00 C
11
+ ATOM 8 N ALA A 2 121.645 83.529 129.831 1.00227.00 N
12
+ ATOM 9 CA ALA A 2 120.969 82.486 129.076 1.00227.00 C
13
+ ATOM 10 C ALA A 2 119.472 82.672 129.160 1.00227.00 C
14
+ ATOM 11 O ALA A 2 118.761 82.625 128.148 1.00227.00 O
15
+ ATOM 12 CB ALA A 2 121.376 81.123 129.622 1.00227.00 C
16
+ ATOM 13 N TYR A 3 118.992 82.934 130.369 1.00227.00 N
17
+ ATOM 14 CA TYR A 3 117.593 83.246 130.586 1.00227.00 C
18
+ ATOM 15 C TYR A 3 117.126 84.342 129.644 1.00227.00 C
19
+ ATOM 16 O TYR A 3 116.174 84.165 128.870 1.00227.00 O
20
+ ATOM 17 CB TYR A 3 117.424 83.678 132.032 1.00227.00 C
21
+ ATOM 18 CG TYR A 3 116.054 84.121 132.382 1.00227.00 C
22
+ ATOM 19 CD1 TYR A 3 115.088 83.204 132.683 1.00227.00 C
23
+ ATOM 20 CD2 TYR A 3 115.731 85.452 132.433 1.00227.00 C
24
+ ATOM 21 CE1 TYR A 3 113.856 83.586 133.026 1.00227.00 C
25
+ ATOM 22 CE2 TYR A 3 114.471 85.852 132.761 1.00227.00 C
26
+ ATOM 23 CZ TYR A 3 113.538 84.907 133.050 1.00227.00 C
27
+ ATOM 24 OH TYR A 3 112.264 85.266 133.385 1.00227.00 O
28
+ ATOM 25 N VAL A 4 117.816 85.480 129.683 1.00227.00 N
29
+ ATOM 26 CA VAL A 4 117.387 86.630 128.899 1.00227.00 C
30
+ ATOM 27 C VAL A 4 117.318 86.261 127.428 1.00227.00 C
31
+ ATOM 28 O VAL A 4 116.277 86.396 126.777 1.00227.00 O
32
+ ATOM 29 CB VAL A 4 118.332 87.816 129.121 1.00227.00 C
33
+ ATOM 30 CG1 VAL A 4 117.830 88.975 128.332 1.00227.00 C
34
+ ATOM 31 CG2 VAL A 4 118.427 88.159 130.588 1.00227.00 C
35
+ ATOM 32 N THR A 5 118.433 85.772 126.897 1.00227.00 N
36
+ ATOM 33 CA THR A 5 118.529 85.450 125.482 1.00227.00 C
37
+ ATOM 34 C THR A 5 117.404 84.529 125.045 1.00227.00 C
38
+ ATOM 35 O THR A 5 116.648 84.840 124.118 1.00227.00 O
39
+ ATOM 36 CB THR A 5 119.876 84.804 125.218 1.00227.00 C
40
+ ATOM 37 OG1 THR A 5 120.011 83.680 126.093 1.00227.00 O
41
+ ATOM 38 CG2 THR A 5 120.975 85.778 125.504 1.00227.00 C
42
+ ATOM 39 N SER A 6 117.283 83.383 125.712 1.00227.00 N
43
+ ATOM 40 CA SER A 6 116.204 82.454 125.412 1.00227.00 C
44
+ ATOM 41 C SER A 6 114.868 83.172 125.344 1.00227.00 C
45
+ ATOM 42 O SER A 6 114.198 83.177 124.305 1.00227.00 O
46
+ ATOM 43 CB SER A 6 116.158 81.371 126.472 1.00227.00 C
47
+ ATOM 44 OG SER A 6 115.906 81.984 127.715 1.00227.00 O
48
+ ATOM 45 N GLU A 7 114.458 83.781 126.457 1.00227.00 N
49
+ ATOM 46 CA GLU A 7 113.107 84.329 126.501 1.00227.00 C
50
+ ATOM 47 C GLU A 7 112.895 85.385 125.430 1.00227.00 C
51
+ ATOM 48 O GLU A 7 111.798 85.494 124.877 1.00227.00 O
52
+ ATOM 49 CB GLU A 7 112.790 84.876 127.888 1.00227.00 C
53
+ ATOM 50 CG GLU A 7 112.569 83.759 128.903 1.00227.00 C
54
+ ATOM 51 CD GLU A 7 112.179 84.250 130.282 1.00227.00 C
55
+ ATOM 52 OE1 GLU A 7 112.241 85.470 130.526 1.00227.00 O
56
+ ATOM 53 OE2 GLU A 7 111.804 83.407 131.125 1.00227.00 O
57
+ ATOM 54 N LEU A 8 113.923 86.168 125.116 1.00227.00 N
58
+ ATOM 55 CA LEU A 8 113.842 86.993 123.921 1.00227.00 C
59
+ ATOM 56 C LEU A 8 113.452 86.138 122.734 1.00227.00 C
60
+ ATOM 57 O LEU A 8 112.462 86.411 122.039 1.00227.00 O
61
+ ATOM 58 CB LEU A 8 115.176 87.676 123.658 1.00227.00 C
62
+ ATOM 59 CG LEU A 8 115.585 88.723 124.678 1.00227.00 C
63
+ ATOM 60 CD1 LEU A 8 116.982 89.212 124.427 1.00227.00 C
64
+ ATOM 61 CD2 LEU A 8 114.646 89.862 124.558 1.00227.00 C
65
+ ATOM 62 N LYS A 9 114.198 85.055 122.530 1.00227.00 N
66
+ ATOM 63 CA LYS A 9 113.967 84.185 121.394 1.00227.00 C
67
+ ATOM 64 C LYS A 9 112.571 83.608 121.384 1.00227.00 C
68
+ ATOM 65 O LYS A 9 112.127 83.140 120.338 1.00227.00 O
69
+ ATOM 66 CB LYS A 9 115.014 83.079 121.377 1.00227.00 C
70
+ ATOM 67 CG LYS A 9 116.380 83.668 121.133 1.00227.00 C
71
+ ATOM 68 CD LYS A 9 117.504 82.664 121.062 1.00227.00 C
72
+ ATOM 69 CE LYS A 9 118.773 83.399 120.651 1.00227.00 C
73
+ ATOM 70 NZ LYS A 9 119.945 82.506 120.539 1.00227.00 N
74
+ ATOM 71 N THR A 10 111.871 83.624 122.511 1.00227.00 N
75
+ ATOM 72 CA THR A 10 110.434 83.399 122.457 1.00227.00 C
76
+ ATOM 73 C THR A 10 109.699 84.656 122.024 1.00227.00 C
77
+ ATOM 74 O THR A 10 108.841 84.613 121.129 1.00227.00 O
78
+ ATOM 75 CB THR A 10 109.938 82.945 123.819 1.00227.00 C
79
+ ATOM 76 OG1 THR A 10 110.330 83.909 124.799 1.00227.00 O
80
+ ATOM 77 CG2 THR A 10 110.546 81.621 124.174 1.00227.00 C
81
+ ATOM 78 N ALA A 11 110.056 85.781 122.641 1.00227.00 N
82
+ ATOM 79 CA ALA A 11 109.324 87.024 122.459 1.00227.00 C
83
+ ATOM 80 C ALA A 11 109.145 87.335 120.995 1.00227.00 C
84
+ ATOM 81 O ALA A 11 108.032 87.588 120.530 1.00227.00 O
85
+ ATOM 82 CB ALA A 11 110.063 88.164 123.149 1.00227.00 C
86
+ ATOM 83 N PHE A 12 110.235 87.307 120.246 1.00227.00 N
87
+ ATOM 84 CA PHE A 12 110.112 87.608 118.830 1.00227.00 C
88
+ ATOM 85 C PHE A 12 109.297 86.540 118.114 1.00227.00 C
89
+ ATOM 86 O PHE A 12 108.512 86.854 117.211 1.00227.00 O
90
+ ATOM 87 CB PHE A 12 111.496 87.767 118.208 1.00227.00 C
91
+ ATOM 88 CG PHE A 12 112.251 88.969 118.711 1.00227.00 C
92
+ ATOM 89 CD1 PHE A 12 112.041 90.213 118.159 1.00227.00 C
93
+ ATOM 90 CD2 PHE A 12 113.172 88.851 119.733 1.00227.00 C
94
+ ATOM 91 CE1 PHE A 12 112.721 91.307 118.608 1.00227.00 C
95
+ ATOM 92 CE2 PHE A 12 113.858 89.949 120.188 1.00227.00 C
96
+ ATOM 93 CZ PHE A 12 113.630 91.178 119.625 1.00227.00 C
97
+ ATOM 94 N GLN A 13 109.446 85.280 118.519 1.00227.00 N
98
+ ATOM 95 CA GLN A 13 108.688 84.214 117.878 1.00227.00 C
99
+ ATOM 96 C GLN A 13 107.195 84.447 117.962 1.00227.00 C
100
+ ATOM 97 O GLN A 13 106.459 84.067 117.047 1.00227.00 O
101
+ ATOM 98 CB GLN A 13 109.039 82.876 118.496 1.00227.00 C
102
+ ATOM 99 CG GLN A 13 110.381 82.400 118.091 1.00227.00 C
103
+ ATOM 100 CD GLN A 13 110.769 81.150 118.813 1.00227.00 C
104
+ ATOM 101 OE1 GLN A 13 110.307 80.897 119.921 1.00227.00 O
105
+ ATOM 102 NE2 GLN A 13 111.622 80.354 118.196 1.00227.00 N
106
+ ATOM 103 N ILE A 14 106.716 85.051 119.042 1.00227.00 N
107
+ ATOM 104 CA ILE A 14 105.315 85.451 119.050 1.00227.00 C
108
+ ATOM 105 C ILE A 14 105.122 86.730 118.252 1.00227.00 C
109
+ ATOM 106 O ILE A 14 104.254 86.819 117.371 1.00227.00 O
110
+ ATOM 107 CB ILE A 14 104.819 85.625 120.490 1.00227.00 C
111
+ ATOM 108 CG1 ILE A 14 104.932 84.315 121.248 1.00227.00 C
112
+ ATOM 109 CG2 ILE A 14 103.389 86.055 120.477 1.00227.00 C
113
+ ATOM 110 CD1 ILE A 14 104.715 84.470 122.717 1.00227.00 C
114
+ ATOM 111 N GLY A 15 105.958 87.726 118.536 1.00227.00 N
115
+ ATOM 112 CA GLY A 15 105.685 89.069 118.064 1.00227.00 C
116
+ ATOM 113 C GLY A 15 105.570 89.141 116.561 1.00227.00 C
117
+ ATOM 114 O GLY A 15 104.639 89.740 116.023 1.00227.00 O
118
+ ATOM 115 N PHE A 16 106.511 88.530 115.860 1.00227.00 N
119
+ ATOM 116 CA PHE A 16 106.427 88.587 114.415 1.00227.00 C
120
+ ATOM 117 C PHE A 16 105.208 87.836 113.918 1.00227.00 C
121
+ ATOM 118 O PHE A 16 104.556 88.276 112.969 1.00227.00 O
122
+ ATOM 119 CB PHE A 16 107.710 88.061 113.802 1.00227.00 C
123
+ ATOM 120 CG PHE A 16 108.875 88.940 114.072 1.00227.00 C
124
+ ATOM 121 CD1 PHE A 16 109.149 90.009 113.256 1.00227.00 C
125
+ ATOM 122 CD2 PHE A 16 109.664 88.734 115.171 1.00227.00 C
126
+ ATOM 123 CE1 PHE A 16 110.205 90.828 113.522 1.00227.00 C
127
+ ATOM 124 CE2 PHE A 16 110.717 89.551 115.429 1.00227.00 C
128
+ ATOM 125 CZ PHE A 16 110.987 90.597 114.615 1.00227.00 C
129
+ TER 126 PHE A 16
130
+ END
motif_pdbs/6I00_PS00920_c1.pdb ADDED
@@ -0,0 +1,124 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 J68-83 -> A1-16
4
+ ATOM 1 N GLY A 1 151.856 140.255 56.307 0.97120.80 N
5
+ ATOM 2 CA GLY A 1 151.736 138.812 56.450 0.97110.71 C
6
+ ATOM 3 C GLY A 1 150.818 138.430 57.600 0.97 91.07 C
7
+ ATOM 4 O GLY A 1 151.110 137.498 58.339 0.97105.21 O
8
+ ATOM 5 N SER A 2 149.698 139.142 57.733 0.97 79.22 N
9
+ ATOM 6 CA SER A 2 148.724 138.824 58.765 0.97 69.89 C
10
+ ATOM 7 C SER A 2 147.840 137.675 58.298 0.97 56.86 C
11
+ ATOM 8 O SER A 2 147.800 137.329 57.124 0.97 61.88 O
12
+ ATOM 9 CB SER A 2 147.923 140.032 59.154 0.97 67.28 C
13
+ ATOM 10 OG SER A 2 148.787 141.087 59.547 1.00 69.70 O
14
+ ATOM 11 N GLN A 3 147.112 137.096 59.238 0.97 50.20 N
15
+ ATOM 12 CA GLN A 3 146.441 135.828 58.999 0.97 49.71 C
16
+ ATOM 13 C GLN A 3 145.058 135.794 59.661 0.97 45.50 C
17
+ ATOM 14 O GLN A 3 144.233 134.937 59.332 0.97 38.13 O
18
+ ATOM 15 CB GLN A 3 147.361 134.714 59.493 0.97 57.30 C
19
+ ATOM 16 CG GLN A 3 147.090 133.340 58.903 0.97 66.03 C
20
+ ATOM 17 CD GLN A 3 148.145 132.352 59.355 0.95 74.95 C
21
+ ATOM 18 OE1 GLN A 3 149.100 132.691 60.062 1.00 74.43 O
22
+ ATOM 19 NE2 GLN A 3 147.966 131.098 58.965 1.00 84.37 N
23
+ ATOM 20 N LEU A 4 144.790 136.743 60.573 0.97 42.09 N
24
+ ATOM 21 CA LEU A 4 143.503 136.884 61.235 0.97 35.00 C
25
+ ATOM 22 C LEU A 4 143.320 138.365 61.526 0.97 34.21 C
26
+ ATOM 23 O LEU A 4 144.172 138.989 62.170 0.97 32.41 O
27
+ ATOM 24 CB LEU A 4 143.572 136.062 62.525 0.97 35.48 C
28
+ ATOM 25 CG LEU A 4 142.270 135.801 63.294 0.97 37.20 C
29
+ ATOM 26 CD1 LEU A 4 142.289 134.419 63.911 0.97 36.21 C
30
+ ATOM 27 CD2 LEU A 4 142.068 136.817 64.408 0.97 41.52 C
31
+ ATOM 28 N VAL A 5 142.192 138.907 61.059 0.97 36.27 N
32
+ ATOM 29 CA VAL A 5 141.895 140.318 61.220 0.97 41.51 C
33
+ ATOM 30 C VAL A 5 140.557 140.467 61.950 0.97 43.16 C
34
+ ATOM 31 O VAL A 5 139.567 139.849 61.565 0.97 46.08 O
35
+ ATOM 32 CB VAL A 5 141.871 141.007 59.843 0.97 46.61 C
36
+ ATOM 33 CG1 VAL A 5 141.502 142.477 59.949 0.96 61.13 C
37
+ ATOM 34 CG2 VAL A 5 143.190 140.867 59.119 0.96 43.72 C
38
+ ATOM 35 N VAL A 6 140.516 141.342 62.965 0.97 38.81 N
39
+ ATOM 36 CA VAL A 6 139.331 141.550 63.789 0.97 37.43 C
40
+ ATOM 37 C VAL A 6 138.877 143.001 63.644 0.97 35.74 C
41
+ ATOM 38 O VAL A 6 139.693 143.919 63.689 0.97 40.29 O
42
+ ATOM 39 CB VAL A 6 139.624 141.203 65.268 0.97 39.93 C
43
+ ATOM 40 CG1 VAL A 6 138.453 141.523 66.185 1.00 37.80 C
44
+ ATOM 41 CG2 VAL A 6 140.079 139.755 65.457 1.00 34.43 C
45
+ ATOM 42 N PHE A 7 137.568 143.204 63.471 0.97 36.80 N
46
+ ATOM 43 CA PHE A 7 136.935 144.506 63.307 0.97 41.38 C
47
+ ATOM 44 C PHE A 7 136.029 144.821 64.490 0.97 44.02 C
48
+ ATOM 45 O PHE A 7 135.448 143.899 65.059 0.97 59.45 O
49
+ ATOM 46 CB PHE A 7 136.100 144.484 62.026 0.97 50.56 C
50
+ ATOM 47 CG PHE A 7 136.936 144.729 60.798 1.00 64.71 C
51
+ ATOM 48 CD1 PHE A 7 137.200 146.033 60.376 1.00 59.79 C
52
+ ATOM 49 CD2 PHE A 7 137.490 143.667 60.085 1.00 73.38 C
53
+ ATOM 50 CE1 PHE A 7 138.002 146.270 59.273 1.00 63.36 C
54
+ ATOM 51 CE2 PHE A 7 138.304 143.906 58.978 1.00 70.97 C
55
+ ATOM 52 CZ PHE A 7 138.541 145.206 58.566 1.00 72.01 C
56
+ ATOM 53 N PRO A 8 135.829 146.101 64.869 0.97 42.78 N
57
+ ATOM 54 CA PRO A 8 135.014 146.471 66.034 0.97 45.88 C
58
+ ATOM 55 C PRO A 8 133.517 146.172 65.988 0.97 49.02 C
59
+ ATOM 56 O PRO A 8 133.014 145.558 65.056 0.97 46.62 O
60
+ ATOM 57 CB PRO A 8 135.232 147.976 66.212 0.97 41.53 C
61
+ ATOM 58 CG PRO A 8 136.465 148.250 65.388 0.97 42.68 C
62
+ ATOM 59 CD PRO A 8 136.423 147.272 64.239 0.97 40.83 C
63
+ ATOM 60 N GLU A 9 132.819 146.573 67.053 0.97 56.50 N
64
+ ATOM 61 CA GLU A 9 131.383 146.364 67.178 0.97 61.49 C
65
+ ATOM 62 C GLU A 9 130.656 147.431 66.366 0.97 61.34 C
66
+ ATOM 63 O GLU A 9 131.003 148.614 66.431 0.97 61.15 O
67
+ ATOM 64 CB GLU A 9 130.989 146.419 68.653 0.97 68.40 C
68
+ ATOM 65 CG GLU A 9 129.504 146.318 68.922 0.96 89.48 C
69
+ ATOM 66 CD GLU A 9 129.115 146.662 70.356 0.96115.46 C
70
+ ATOM 67 OE1 GLU A 9 130.004 146.990 71.171 0.96122.04 O
71
+ ATOM 68 OE2 GLU A 9 127.918 146.577 70.673 0.96127.03 O
72
+ ATOM 69 N ALA A 10 129.634 146.983 65.620 0.97 55.76 N
73
+ ATOM 70 CA ALA A 10 128.773 147.810 64.779 0.97 46.72 C
74
+ ATOM 71 C ALA A 10 129.596 148.629 63.791 0.97 45.79 C
75
+ ATOM 72 O ALA A 10 129.438 149.841 63.692 0.97 49.14 O
76
+ ATOM 73 CB ALA A 10 127.843 148.676 65.600 0.97 43.83 C
77
+ ATOM 74 N PHE A 11 130.443 147.947 63.020 0.97 46.90 N
78
+ ATOM 75 CA PHE A 11 131.302 148.627 62.071 0.97 48.23 C
79
+ ATOM 76 C PHE A 11 130.533 149.036 60.809 0.97 48.70 C
80
+ ATOM 77 O PHE A 11 130.734 150.126 60.286 0.97 46.25 O
81
+ ATOM 78 CB PHE A 11 132.520 147.767 61.750 0.97 49.57 C
82
+ ATOM 79 CG PHE A 11 133.539 148.493 60.916 0.95 62.50 C
83
+ ATOM 80 CD1 PHE A 11 134.345 149.487 61.481 0.95 58.94 C
84
+ ATOM 81 CD2 PHE A 11 133.656 148.216 59.555 0.95 64.22 C
85
+ ATOM 82 CE1 PHE A 11 135.243 150.200 60.700 0.95 55.95 C
86
+ ATOM 83 CE2 PHE A 11 134.552 148.940 58.774 0.95 62.19 C
87
+ ATOM 84 CZ PHE A 11 135.348 149.920 59.350 0.95 59.34 C
88
+ ATOM 85 N ILE A 12 129.663 148.153 60.316 0.97 49.38 N
89
+ ATOM 86 CA ILE A 12 128.910 148.412 59.101 0.97 45.30 C
90
+ ATOM 87 C ILE A 12 127.672 149.249 59.410 0.97 44.65 C
91
+ ATOM 88 O ILE A 12 127.417 150.260 58.757 0.97 48.99 O
92
+ ATOM 89 CB ILE A 12 128.529 147.094 58.403 0.96 43.59 C
93
+ ATOM 90 CG1 ILE A 12 129.755 146.239 58.077 1.00 46.30 C
94
+ ATOM 91 CG2 ILE A 12 127.651 147.341 57.181 1.00 40.20 C
95
+ ATOM 92 CD1 ILE A 12 130.675 146.819 57.044 0.95 50.39 C
96
+ ATOM 93 N GLY A 13 126.863 148.795 60.364 0.97 42.17 N
97
+ ATOM 94 CA GLY A 13 125.582 149.436 60.589 0.97 43.62 C
98
+ ATOM 95 C GLY A 13 125.706 150.808 61.244 0.97 49.82 C
99
+ ATOM 96 O GLY A 13 124.850 151.677 61.042 0.97 52.24 O
100
+ ATOM 97 N GLY A 14 126.757 150.981 62.064 0.97 50.48 N
101
+ ATOM 98 CA GLY A 14 126.971 152.234 62.771 0.97 47.72 C
102
+ ATOM 99 C GLY A 14 126.358 152.196 64.163 0.97 41.45 C
103
+ ATOM 100 O GLY A 14 125.392 151.487 64.412 0.97 42.63 O
104
+ ATOM 101 N TYR A 15 126.929 152.973 65.073 0.97 39.13 N
105
+ ATOM 102 CA TYR A 15 126.524 152.919 66.465 0.97 40.41 C
106
+ ATOM 103 C TYR A 15 126.057 154.304 66.882 0.97 40.79 C
107
+ ATOM 104 O TYR A 15 126.845 155.241 66.878 0.97 41.22 O
108
+ ATOM 105 CB TYR A 15 127.732 152.491 67.287 0.97 43.20 C
109
+ ATOM 106 CG TYR A 15 127.474 152.252 68.745 1.00 47.75 C
110
+ ATOM 107 CD1 TYR A 15 127.001 151.033 69.180 1.00 53.81 C
111
+ ATOM 108 CD2 TYR A 15 127.809 153.198 69.702 1.00 57.92 C
112
+ ATOM 109 CE1 TYR A 15 126.792 150.776 70.528 1.00 58.57 C
113
+ ATOM 110 CE2 TYR A 15 127.600 152.965 71.052 1.00 60.42 C
114
+ ATOM 111 CZ TYR A 15 127.070 151.758 71.461 1.00 57.68 C
115
+ ATOM 112 OH TYR A 15 126.885 151.529 72.788 1.00 61.33 O
116
+ ATOM 113 N PRO A 16 124.764 154.513 67.183 0.97 46.07 N
117
+ ATOM 114 CA PRO A 16 124.262 155.869 67.427 0.97 52.90 C
118
+ ATOM 115 C PRO A 16 124.724 156.412 68.770 0.97 59.99 C
119
+ ATOM 116 O PRO A 16 124.135 156.066 69.791 0.97 75.91 O
120
+ ATOM 117 CB PRO A 16 122.738 155.689 67.504 0.97 52.37 C
121
+ ATOM 118 CG PRO A 16 122.487 154.305 66.915 0.96 50.49 C
122
+ ATOM 119 CD PRO A 16 123.719 153.481 67.238 0.93 45.70 C
123
+ TER 120 PRO A 16
124
+ END
motif_pdbs/6I5U_PS00920_c2.pdb ADDED
@@ -0,0 +1,124 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 F68-83 -> A1-16
4
+ ATOM 1 N GLY A 1 151.908 140.344 55.302 0.97 57.30 N
5
+ ATOM 2 CA GLY A 1 151.850 138.914 55.553 0.97 57.30 C
6
+ ATOM 3 C GLY A 1 151.010 138.491 56.740 0.97 57.30 C
7
+ ATOM 4 O GLY A 1 151.402 137.581 57.479 0.97 57.30 O
8
+ ATOM 5 N SER A 2 149.858 139.121 56.934 0.97 51.31 N
9
+ ATOM 6 CA SER A 2 148.982 138.783 58.043 0.97 51.31 C
10
+ ATOM 7 C SER A 2 148.106 137.593 57.678 0.97 51.31 C
11
+ ATOM 8 O SER A 2 148.109 137.110 56.543 0.97 51.31 O
12
+ ATOM 9 CB SER A 2 148.114 139.978 58.427 0.97 51.31 C
13
+ ATOM 10 OG SER A 2 148.925 141.064 58.825 1.00 51.31 O
14
+ ATOM 11 N GLN A 3 147.353 137.113 58.665 0.97 44.15 N
15
+ ATOM 12 CA GLN A 3 146.571 135.902 58.469 0.97 44.15 C
16
+ ATOM 13 C GLN A 3 145.169 135.975 59.065 0.97 44.15 C
17
+ ATOM 14 O GLN A 3 144.337 135.127 58.732 0.97 44.15 O
18
+ ATOM 15 CB GLN A 3 147.350 134.713 59.057 0.97 44.15 C
19
+ ATOM 16 CG GLN A 3 146.973 133.329 58.564 0.97 44.15 C
20
+ ATOM 17 CD GLN A 3 147.952 132.279 59.042 0.95 44.15 C
21
+ ATOM 18 OE1 GLN A 3 148.873 132.577 59.800 1.00 44.15 O
22
+ ATOM 19 NE2 GLN A 3 147.773 131.047 58.585 1.00 44.15 N
23
+ ATOM 20 N LEU A 4 144.856 136.975 59.889 0.97 37.87 N
24
+ ATOM 21 CA LEU A 4 143.560 137.052 60.554 0.97 37.87 C
25
+ ATOM 22 C LEU A 4 143.277 138.508 60.893 0.97 37.87 C
26
+ ATOM 23 O LEU A 4 144.060 139.136 61.609 0.97 37.87 O
27
+ ATOM 24 CB LEU A 4 143.559 136.178 61.813 0.97 37.87 C
28
+ ATOM 25 CG LEU A 4 142.277 135.835 62.569 0.97 37.87 C
29
+ ATOM 26 CD1 LEU A 4 142.430 134.458 63.177 0.97 37.87 C
30
+ ATOM 27 CD2 LEU A 4 141.984 136.833 63.665 0.97 37.87 C
31
+ ATOM 28 N VAL A 5 142.167 139.044 60.388 0.97 33.38 N
32
+ ATOM 29 CA VAL A 5 141.842 140.461 60.518 0.97 33.38 C
33
+ ATOM 30 C VAL A 5 140.527 140.596 61.274 0.97 33.38 C
34
+ ATOM 31 O VAL A 5 139.537 139.946 60.922 0.97 33.38 O
35
+ ATOM 32 CB VAL A 5 141.753 141.142 59.140 0.97 33.38 C
36
+ ATOM 33 CG1 VAL A 5 141.387 142.604 59.285 0.96 33.38 C
37
+ ATOM 34 CG2 VAL A 5 143.062 140.998 58.394 0.96 33.38 C
38
+ ATOM 35 N VAL A 6 140.514 141.445 62.303 0.97 30.39 N
39
+ ATOM 36 CA VAL A 6 139.347 141.653 63.154 0.97 30.39 C
40
+ ATOM 37 C VAL A 6 138.894 143.102 63.033 0.97 30.39 C
41
+ ATOM 38 O VAL A 6 139.694 144.023 63.220 0.97 30.39 O
42
+ ATOM 39 CB VAL A 6 139.652 141.299 64.621 0.97 30.39 C
43
+ ATOM 40 CG1 VAL A 6 138.459 141.594 65.500 1.00 30.39 C
44
+ ATOM 41 CG2 VAL A 6 140.045 139.847 64.740 1.00 30.39 C
45
+ ATOM 42 N PHE A 7 137.613 143.300 62.731 0.97 33.05 N
46
+ ATOM 43 CA PHE A 7 136.982 144.604 62.601 0.97 33.05 C
47
+ ATOM 44 C PHE A 7 136.113 144.908 63.819 0.97 33.05 C
48
+ ATOM 45 O PHE A 7 135.612 143.989 64.470 0.97 33.05 O
49
+ ATOM 46 CB PHE A 7 136.138 144.647 61.322 0.97 33.05 C
50
+ ATOM 47 CG PHE A 7 136.954 144.745 60.069 1.00 33.05 C
51
+ ATOM 48 CD1 PHE A 7 137.360 145.978 59.591 1.00 33.05 C
52
+ ATOM 49 CD2 PHE A 7 137.345 143.609 59.391 1.00 33.05 C
53
+ ATOM 50 CE1 PHE A 7 138.119 146.076 58.446 1.00 33.05 C
54
+ ATOM 51 CE2 PHE A 7 138.100 143.704 58.242 1.00 33.05 C
55
+ ATOM 52 CZ PHE A 7 138.488 144.936 57.773 1.00 33.05 C
56
+ ATOM 53 N PRO A 8 135.913 146.199 64.167 0.97 34.26 N
57
+ ATOM 54 CA PRO A 8 135.199 146.526 65.411 0.97 34.26 C
58
+ ATOM 55 C PRO A 8 133.701 146.270 65.382 0.97 34.26 C
59
+ ATOM 56 O PRO A 8 133.161 145.739 64.408 0.97 34.26 O
60
+ ATOM 57 CB PRO A 8 135.478 148.024 65.587 0.97 34.26 C
61
+ ATOM 58 CG PRO A 8 136.689 148.285 64.794 0.97 34.26 C
62
+ ATOM 59 CD PRO A 8 136.574 147.390 63.612 0.97 34.26 C
63
+ ATOM 60 N GLU A 9 133.026 146.654 66.463 0.97 33.32 N
64
+ ATOM 61 CA GLU A 9 131.592 146.442 66.599 0.97 33.32 C
65
+ ATOM 62 C GLU A 9 130.829 147.456 65.760 0.97 33.32 C
66
+ ATOM 63 O GLU A 9 131.167 148.645 65.765 0.97 33.32 O
67
+ ATOM 64 CB GLU A 9 131.171 146.567 68.062 0.97 33.32 C
68
+ ATOM 65 CG GLU A 9 129.699 146.282 68.310 0.96 33.32 C
69
+ ATOM 66 CD GLU A 9 129.289 146.522 69.746 0.96 33.32 C
70
+ ATOM 67 OE1 GLU A 9 130.143 146.951 70.548 0.96 33.32 O
71
+ ATOM 68 OE2 GLU A 9 128.107 146.291 70.072 0.96 33.32 O
72
+ ATOM 69 N ALA A 10 129.806 146.969 65.043 0.97 32.49 N
73
+ ATOM 70 CA ALA A 10 128.861 147.778 64.264 0.97 32.49 C
74
+ ATOM 71 C ALA A 10 129.579 148.609 63.202 0.97 32.49 C
75
+ ATOM 72 O ALA A 10 129.379 149.818 63.079 0.97 32.49 O
76
+ ATOM 73 CB ALA A 10 128.002 148.664 65.172 0.97 32.49 C
77
+ ATOM 74 N PHE A 11 130.428 147.936 62.431 0.97 34.94 N
78
+ ATOM 75 CA PHE A 11 131.260 148.643 61.470 0.97 34.94 C
79
+ ATOM 76 C PHE A 11 130.491 149.031 60.216 0.97 34.94 C
80
+ ATOM 77 O PHE A 11 130.611 150.168 59.751 0.97 34.94 O
81
+ ATOM 78 CB PHE A 11 132.471 147.790 61.099 0.97 34.94 C
82
+ ATOM 79 CG PHE A 11 133.439 148.483 60.194 0.95 34.94 C
83
+ ATOM 80 CD1 PHE A 11 134.256 149.487 60.680 0.95 34.94 C
84
+ ATOM 81 CD2 PHE A 11 133.542 148.125 58.862 0.95 34.94 C
85
+ ATOM 82 CE1 PHE A 11 135.151 150.129 59.854 0.95 34.94 C
86
+ ATOM 83 CE2 PHE A 11 134.437 148.764 58.029 0.95 34.94 C
87
+ ATOM 84 CZ PHE A 11 135.242 149.767 58.528 0.95 34.94 C
88
+ ATOM 85 N ILE A 12 129.695 148.122 59.665 0.97 31.65 N
89
+ ATOM 86 CA ILE A 12 128.984 148.399 58.422 0.97 31.65 C
90
+ ATOM 87 C ILE A 12 127.743 149.241 58.672 0.97 31.65 C
91
+ ATOM 88 O ILE A 12 127.521 150.250 57.999 0.97 31.65 O
92
+ ATOM 89 CB ILE A 12 128.638 147.080 57.705 0.96 31.65 C
93
+ ATOM 90 CG1 ILE A 12 129.916 146.331 57.342 1.00 31.65 C
94
+ ATOM 91 CG2 ILE A 12 127.818 147.343 56.464 1.00 31.65 C
95
+ ATOM 92 CD1 ILE A 12 130.809 147.081 56.402 0.95 31.65 C
96
+ ATOM 93 N GLY A 13 126.924 148.851 59.647 0.97 32.87 N
97
+ ATOM 94 CA GLY A 13 125.677 149.557 59.880 0.97 32.87 C
98
+ ATOM 95 C GLY A 13 125.842 150.913 60.533 0.97 32.87 C
99
+ ATOM 96 O GLY A 13 125.015 151.804 60.323 0.97 32.87 O
100
+ ATOM 97 N GLY A 14 126.893 151.094 61.320 0.97 35.72 N
101
+ ATOM 98 CA GLY A 14 127.087 152.352 62.011 0.97 35.72 C
102
+ ATOM 99 C GLY A 14 126.507 152.333 63.410 0.97 35.72 C
103
+ ATOM 100 O GLY A 14 125.437 151.770 63.657 0.97 35.72 O
104
+ ATOM 101 N TYR A 15 127.216 152.961 64.340 0.97 36.96 N
105
+ ATOM 102 CA TYR A 15 126.850 152.933 65.750 0.97 36.96 C
106
+ ATOM 103 C TYR A 15 126.444 154.329 66.189 0.97 36.96 C
107
+ ATOM 104 O TYR A 15 127.322 155.191 66.363 0.97 36.96 O
108
+ ATOM 105 CB TYR A 15 128.025 152.428 66.583 0.97 36.96 C
109
+ ATOM 106 CG TYR A 15 127.733 152.250 68.048 1.00 36.96 C
110
+ ATOM 107 CD1 TYR A 15 126.986 151.172 68.499 1.00 36.96 C
111
+ ATOM 108 CD2 TYR A 15 128.224 153.146 68.984 1.00 36.96 C
112
+ ATOM 109 CE1 TYR A 15 126.725 150.999 69.840 1.00 36.96 C
113
+ ATOM 110 CE2 TYR A 15 127.969 152.981 70.328 1.00 36.96 C
114
+ ATOM 111 CZ TYR A 15 127.219 151.908 70.748 1.00 36.96 C
115
+ ATOM 112 OH TYR A 15 126.964 151.746 72.085 1.00 36.96 O
116
+ ATOM 113 N PRO A 16 125.150 154.610 66.375 0.97 38.17 N
117
+ ATOM 114 CA PRO A 16 124.728 155.984 66.677 0.97 38.17 C
118
+ ATOM 115 C PRO A 16 125.106 156.408 68.078 0.97 38.17 C
119
+ ATOM 116 O PRO A 16 124.466 155.986 69.042 0.97 38.17 O
120
+ ATOM 117 CB PRO A 16 123.204 155.927 66.530 0.97 38.17 C
121
+ ATOM 118 CG PRO A 16 122.941 154.718 65.733 0.96 38.17 C
122
+ ATOM 119 CD PRO A 16 124.000 153.737 66.111 0.93 38.17 C
123
+ TER 120 PRO A 16
124
+ END
motif_pdbs/6I6B_PS00951_c1.pdb ADDED
@@ -0,0 +1,146 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 A31-48 -> A1-18
4
+ ATOM 1 N GLY A 1 9.407 48.086 61.987 1.00 22.52 N
5
+ ATOM 2 CA GLY A 1 8.414 47.349 62.734 1.00 25.93 C
6
+ ATOM 3 C GLY A 1 8.719 45.879 62.920 1.00 26.89 C
7
+ ATOM 4 O GLY A 1 8.016 45.209 63.687 1.00 27.26 O
8
+ ATOM 5 N ILE A 2 9.738 45.358 62.246 1.00 30.46 N
9
+ ATOM 6 CA ILE A 2 10.136 43.962 62.375 1.00 26.66 C
10
+ ATOM 7 C ILE A 2 11.235 43.859 63.420 1.00 28.52 C
11
+ ATOM 8 O ILE A 2 12.171 44.668 63.444 1.00 30.48 O
12
+ ATOM 9 CB ILE A 2 10.602 43.397 61.020 1.00 22.39 C
13
+ ATOM 10 CG1 ILE A 2 9.477 43.488 59.991 1.00 16.98 C
14
+ ATOM 11 CG2 ILE A 2 11.060 41.953 61.167 1.00 18.22 C
15
+ ATOM 12 CD1 ILE A 2 8.281 42.639 60.326 1.00 20.00 C
16
+ ATOM 13 N SER A 3 11.119 42.863 64.294 1.00 25.49 N
17
+ ATOM 14 CA SER A 3 12.130 42.593 65.309 1.00 24.25 C
18
+ ATOM 15 C SER A 3 13.143 41.613 64.730 1.00 23.98 C
19
+ ATOM 16 O SER A 3 12.829 40.438 64.516 1.00 23.60 O
20
+ ATOM 17 CB SER A 3 11.488 42.039 66.577 1.00 22.06 C
21
+ ATOM 18 OG SER A 3 12.396 41.226 67.300 1.00 17.20 O
22
+ ATOM 19 N GLY A 4 14.358 42.099 64.465 1.00 24.63 N
23
+ ATOM 20 CA GLY A 4 15.404 41.219 63.976 1.00 19.87 C
24
+ ATOM 21 C GLY A 4 15.819 40.174 64.991 1.00 18.54 C
25
+ ATOM 22 O GLY A 4 16.269 39.085 64.618 1.00 14.60 O
26
+ ATOM 23 N LYS A 5 15.689 40.490 66.282 1.00 15.75 N
27
+ ATOM 24 CA LYS A 5 15.946 39.497 67.319 1.00 17.04 C
28
+ ATOM 25 C LYS A 5 15.045 38.283 67.146 1.00 15.12 C
29
+ ATOM 26 O LYS A 5 15.504 37.140 67.251 1.00 17.35 O
30
+ ATOM 27 CB LYS A 5 15.749 40.118 68.701 1.00 19.22 C
31
+ ATOM 28 CG LYS A 5 16.938 40.918 69.195 1.00 20.92 C
32
+ ATOM 29 CD LYS A 5 16.606 41.649 70.482 1.00 23.01 C
33
+ ATOM 30 CE LYS A 5 17.537 42.827 70.698 1.00 26.47 C
34
+ ATOM 31 NZ LYS A 5 18.968 42.434 70.587 1.00 26.89 N
35
+ ATOM 32 N SER A 6 13.758 38.513 66.878 1.00 18.24 N
36
+ ATOM 33 CA ASER A 6 12.846 37.404 66.622 0.55 19.74 C
37
+ ATOM 34 C SER A 6 13.252 36.646 65.364 1.00 21.09 C
38
+ ATOM 35 O SER A 6 13.314 35.412 65.359 1.00 24.73 O
39
+ ATOM 36 CB ASER A 6 11.413 37.926 66.504 0.55 19.48 C
40
+ ATOM 37 OG ASER A 6 10.501 36.874 66.249 0.55 19.21 O
41
+ ATOM 38 N GLN A 7 13.540 37.377 64.283 1.00 17.73 N
42
+ ATOM 39 CA GLN A 7 13.962 36.736 63.043 1.00 14.97 C
43
+ ATOM 40 C GLN A 7 15.274 35.984 63.220 1.00 14.45 C
44
+ ATOM 41 O GLN A 7 15.484 34.943 62.586 1.00 15.64 O
45
+ ATOM 42 CB GLN A 7 14.090 37.777 61.931 1.00 16.54 C
46
+ ATOM 43 CG GLN A 7 12.760 38.332 61.454 1.00 14.27 C
47
+ ATOM 44 CD GLN A 7 11.797 37.240 61.034 1.00 16.39 C
48
+ ATOM 45 OE1 GLN A 7 12.098 36.439 60.149 1.00 14.64 O
49
+ ATOM 46 NE2 GLN A 7 10.632 37.199 61.673 1.00 13.63 N
50
+ ATOM 47 N LEU A 8 16.168 36.493 64.072 1.00 14.23 N
51
+ ATOM 48 CA LEU A 8 17.388 35.756 64.386 1.00 20.98 C
52
+ ATOM 49 C LEU A 8 17.068 34.454 65.109 1.00 21.93 C
53
+ ATOM 50 O LEU A 8 17.700 33.422 64.855 1.00 22.38 O
54
+ ATOM 51 CB LEU A 8 18.323 36.622 65.231 1.00 16.82 C
55
+ ATOM 52 CG LEU A 8 19.501 37.282 64.515 1.00 22.98 C
56
+ ATOM 53 CD1 LEU A 8 20.041 38.445 65.334 1.00 14.91 C
57
+ ATOM 54 CD2 LEU A 8 20.594 36.261 64.241 1.00 17.35 C
58
+ ATOM 55 N LEU A 9 16.087 34.484 66.015 1.00 19.57 N
59
+ ATOM 56 CA LEU A 9 15.718 33.278 66.748 1.00 18.84 C
60
+ ATOM 57 C LEU A 9 15.100 32.236 65.824 1.00 19.48 C
61
+ ATOM 58 O LEU A 9 15.411 31.044 65.930 1.00 21.09 O
62
+ ATOM 59 CB LEU A 9 14.757 33.627 67.883 1.00 22.36 C
63
+ ATOM 60 CG LEU A 9 15.340 34.463 69.022 1.00 21.38 C
64
+ ATOM 61 CD1 LEU A 9 14.293 34.711 70.096 1.00 15.88 C
65
+ ATOM 62 CD2 LEU A 9 16.569 33.787 69.608 1.00 24.79 C
66
+ ATOM 63 N PHE A 10 14.221 32.664 64.913 1.00 19.49 N
67
+ ATOM 64 CA PHE A 10 13.635 31.726 63.962 1.00 19.47 C
68
+ ATOM 65 C PHE A 10 14.687 31.155 63.021 1.00 18.10 C
69
+ ATOM 66 O PHE A 10 14.559 30.009 62.574 1.00 17.01 O
70
+ ATOM 67 CB PHE A 10 12.517 32.404 63.168 1.00 20.31 C
71
+ ATOM 68 CG PHE A 10 11.266 32.644 63.968 1.00 24.94 C
72
+ ATOM 69 CD1 PHE A 10 10.469 31.585 64.368 1.00 26.80 C
73
+ ATOM 70 CD2 PHE A 10 10.884 33.929 64.314 1.00 26.17 C
74
+ ATOM 71 CE1 PHE A 10 9.318 31.802 65.103 1.00 28.40 C
75
+ ATOM 72 CE2 PHE A 10 9.735 34.153 65.049 1.00 24.53 C
76
+ ATOM 73 CZ PHE A 10 8.951 33.088 65.444 1.00 26.40 C
77
+ ATOM 74 N ALA A 11 15.729 31.931 62.709 1.00 17.82 N
78
+ ATOM 75 CA ALA A 11 16.838 31.393 61.929 1.00 18.10 C
79
+ ATOM 76 C ALA A 11 17.682 30.434 62.756 1.00 17.50 C
80
+ ATOM 77 O ALA A 11 18.208 29.452 62.219 1.00 17.28 O
81
+ ATOM 78 CB ALA A 11 17.702 32.529 61.382 1.00 16.91 C
82
+ ATOM 79 N LEU A 12 17.826 30.702 64.056 1.00 20.25 N
83
+ ATOM 80 CA LEU A 12 18.484 29.747 64.941 1.00 19.26 C
84
+ ATOM 81 C LEU A 12 17.651 28.483 65.105 1.00 21.40 C
85
+ ATOM 82 O LEU A 12 18.209 27.391 65.268 1.00 22.06 O
86
+ ATOM 83 CB LEU A 12 18.754 30.392 66.301 1.00 19.75 C
87
+ ATOM 84 CG LEU A 12 19.466 29.548 67.361 1.00 24.06 C
88
+ ATOM 85 CD1 LEU A 12 20.812 29.056 66.853 1.00 16.24 C
89
+ ATOM 86 CD2 LEU A 12 19.632 30.336 68.651 1.00 16.03 C
90
+ ATOM 87 N VAL A 13 16.322 28.612 65.063 1.00 17.47 N
91
+ ATOM 88 CA VAL A 13 15.451 27.440 65.119 1.00 16.99 C
92
+ ATOM 89 C VAL A 13 15.744 26.509 63.950 1.00 22.25 C
93
+ ATOM 90 O VAL A 13 16.007 25.316 64.135 1.00 20.40 O
94
+ ATOM 91 CB VAL A 13 13.972 27.870 65.138 1.00 15.24 C
95
+ ATOM 92 CG1 VAL A 13 13.074 26.713 64.721 1.00 15.84 C
96
+ ATOM 93 CG2 VAL A 13 13.585 28.376 66.514 1.00 19.60 C
97
+ ATOM 94 N PHE A 14 15.710 27.047 62.727 1.00 18.40 N
98
+ ATOM 95 CA PHE A 14 15.988 26.232 61.549 1.00 21.08 C
99
+ ATOM 96 C PHE A 14 17.411 25.690 61.563 1.00 19.96 C
100
+ ATOM 97 O PHE A 14 17.663 24.599 61.039 1.00 17.36 O
101
+ ATOM 98 CB PHE A 14 15.747 27.047 60.278 1.00 27.45 C
102
+ ATOM 99 CG PHE A 14 14.307 27.407 60.048 1.00 31.79 C
103
+ ATOM 100 CD1 PHE A 14 13.292 26.550 60.440 1.00 33.84 C
104
+ ATOM 101 CD2 PHE A 14 13.968 28.604 59.439 1.00 33.42 C
105
+ ATOM 102 CE1 PHE A 14 11.966 26.880 60.228 1.00 35.68 C
106
+ ATOM 103 CE2 PHE A 14 12.645 28.940 59.225 1.00 35.07 C
107
+ ATOM 104 CZ PHE A 14 11.642 28.077 59.620 1.00 35.61 C
108
+ ATOM 105 N THR A 15 18.349 26.430 62.156 1.00 18.08 N
109
+ ATOM 106 CA THR A 15 19.736 25.976 62.192 1.00 20.08 C
110
+ ATOM 107 C THR A 15 19.891 24.751 63.085 1.00 22.99 C
111
+ ATOM 108 O THR A 15 20.531 23.766 62.699 1.00 24.67 O
112
+ ATOM 109 CB THR A 15 20.649 27.108 62.666 1.00 21.25 C
113
+ ATOM 110 OG1 THR A 15 20.336 28.310 61.951 1.00 23.52 O
114
+ ATOM 111 CG2 THR A 15 22.108 26.749 62.428 1.00 17.31 C
115
+ ATOM 112 N THR A 16 19.308 24.791 64.285 1.00 23.11 N
116
+ ATOM 113 CA THR A 16 19.424 23.671 65.210 1.00 27.89 C
117
+ ATOM 114 C THR A 16 18.422 22.561 64.921 1.00 20.08 C
118
+ ATOM 115 O THR A 16 18.632 21.426 65.364 1.00 21.51 O
119
+ ATOM 116 CB THR A 16 19.254 24.156 66.652 1.00 27.97 C
120
+ ATOM 117 OG1 THR A 16 17.923 24.650 66.842 1.00 24.93 O
121
+ ATOM 118 CG2 THR A 16 20.250 25.265 66.961 1.00 28.08 C
122
+ ATOM 119 N ARG A 17 17.344 22.856 64.193 1.00 19.35 N
123
+ ATOM 120 CA ARG A 17 16.379 21.818 63.844 1.00 27.23 C
124
+ ATOM 121 C ARG A 17 16.848 21.000 62.649 1.00 27.79 C
125
+ ATOM 122 O ARG A 17 16.617 19.786 62.595 1.00 30.19 O
126
+ ATOM 123 CB ARG A 17 15.014 22.444 63.551 1.00 26.71 C
127
+ ATOM 124 CG ARG A 17 13.903 21.441 63.295 1.00 28.89 C
128
+ ATOM 125 CD ARG A 17 12.545 22.123 63.297 1.00 32.28 C
129
+ ATOM 126 NE ARG A 17 12.267 22.780 64.571 1.00 36.53 N
130
+ ATOM 127 CZ ARG A 17 11.180 23.504 64.818 1.00 36.34 C
131
+ ATOM 128 NH1 ARG A 17 10.262 23.667 63.875 1.00 32.30 N
132
+ ATOM 129 NH2 ARG A 17 11.010 24.064 66.008 1.00 38.27 N
133
+ ATOM 130 N TYR A 18 17.508 21.644 61.686 1.00 29.30 N
134
+ ATOM 131 CA TYR A 18 17.928 20.996 60.451 1.00 30.12 C
135
+ ATOM 132 C TYR A 18 19.415 20.666 60.444 1.00 32.41 C
136
+ ATOM 133 O TYR A 18 20.021 20.553 59.373 1.00 35.28 O
137
+ ATOM 134 CB TYR A 18 17.569 21.867 59.248 1.00 25.66 C
138
+ ATOM 135 CG TYR A 18 16.093 22.170 59.144 1.00 23.66 C
139
+ ATOM 136 CD1 TYR A 18 15.145 21.287 59.648 1.00 26.33 C
140
+ ATOM 137 CD2 TYR A 18 15.646 23.342 58.550 1.00 19.21 C
141
+ ATOM 138 CE1 TYR A 18 13.795 21.561 59.560 1.00 24.78 C
142
+ ATOM 139 CE2 TYR A 18 14.297 23.625 58.457 1.00 17.64 C
143
+ ATOM 140 CZ TYR A 18 13.377 22.731 58.963 1.00 24.41 C
144
+ ATOM 141 OH TYR A 18 12.033 23.008 58.873 1.00 29.97 O
145
+ TER 142 TYR A 18
146
+ END
motif_pdbs/7BL5_PS01129_c1.pdb ADDED
@@ -0,0 +1,119 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 NORMALISED MOTIFBENCH PDB
2
+ REMARK 2 ORIGINAL MOTIF SEGMENTS MAPPED AS:
3
+ REMARK 3 7135-149 -> A1-15
4
+ ATOM 1 N VAL A 1 194.363 92.521 144.478 1.00203.27 N
5
+ ATOM 2 CA VAL A 1 193.293 92.346 145.444 1.00203.27 C
6
+ ATOM 3 C VAL A 1 193.034 93.602 146.274 1.00203.27 C
7
+ ATOM 4 O VAL A 1 191.875 93.876 146.609 1.00203.27 O
8
+ ATOM 5 CB VAL A 1 193.573 91.130 146.355 1.00203.27 C
9
+ ATOM 6 CG1 VAL A 1 194.811 91.357 147.213 1.00203.27 C
10
+ ATOM 7 CG2 VAL A 1 192.358 90.805 147.211 1.00203.27 C
11
+ ATOM 8 N HIS A 2 194.064 94.379 146.605 1.00199.53 N
12
+ ATOM 9 CA HIS A 2 193.902 95.582 147.408 1.00199.53 C
13
+ ATOM 10 C HIS A 2 194.607 96.752 146.735 1.00199.53 C
14
+ ATOM 11 O HIS A 2 195.589 96.575 146.010 1.00199.53 O
15
+ ATOM 12 CB HIS A 2 194.447 95.393 148.832 1.00199.53 C
16
+ ATOM 13 CG HIS A 2 195.894 95.013 148.884 1.00199.53 C
17
+ ATOM 14 ND1 HIS A 2 196.910 95.943 148.834 1.00199.53 N
18
+ ATOM 15 CD2 HIS A 2 196.495 93.805 148.991 1.00199.53 C
19
+ ATOM 16 CE1 HIS A 2 198.074 95.324 148.904 1.00199.53 C
20
+ ATOM 17 NE2 HIS A 2 197.851 94.026 148.999 1.00199.53 N
21
+ ATOM 18 N ARG A 3 194.091 97.950 146.986 1.00194.22 N
22
+ ATOM 19 CA ARG A 3 194.604 99.176 146.396 1.00194.22 C
23
+ ATOM 20 C ARG A 3 195.615 99.839 147.325 1.00194.22 C
24
+ ATOM 21 O ARG A 3 195.617 99.624 148.540 1.00194.22 O
25
+ ATOM 22 CB ARG A 3 193.459 100.147 146.094 1.00194.22 C
26
+ ATOM 23 CG ARG A 3 192.263 99.501 145.414 1.00194.22 C
27
+ ATOM 24 CD ARG A 3 192.141 99.940 143.965 1.00194.22 C
28
+ ATOM 25 NE ARG A 3 190.984 99.336 143.310 1.00194.22 N
29
+ ATOM 26 CZ ARG A 3 190.649 99.547 142.042 1.00194.22 C
30
+ ATOM 27 NH1 ARG A 3 191.380 100.356 141.288 1.00194.22 N
31
+ ATOM 28 NH2 ARG A 3 189.580 98.955 141.528 1.00194.22 N
32
+ ATOM 29 N LEU A 4 196.484 100.654 146.731 1.00191.63 N
33
+ ATOM 30 CA LEU A 4 197.485 101.393 147.484 1.00191.63 C
34
+ ATOM 31 C LEU A 4 197.823 102.671 146.731 1.00191.63 C
35
+ ATOM 32 O LEU A 4 197.770 102.714 145.499 1.00191.63 O
36
+ ATOM 33 CB LEU A 4 198.746 100.550 147.718 1.00191.63 C
37
+ ATOM 34 CG LEU A 4 199.866 101.173 148.554 1.00191.63 C
38
+ ATOM 35 CD1 LEU A 4 199.383 101.453 149.968 1.00191.63 C
39
+ ATOM 36 CD2 LEU A 4 201.088 100.268 148.576 1.00191.63 C
40
+ ATOM 37 N ASP A 5 198.166 103.713 147.485 1.00189.16 N
41
+ ATOM 38 CA ASP A 5 198.499 104.997 146.886 1.00189.16 C
42
+ ATOM 39 C ASP A 5 199.805 104.907 146.104 1.00189.16 C
43
+ ATOM 40 O ASP A 5 200.743 104.204 146.491 1.00189.16 O
44
+ ATOM 41 CB ASP A 5 198.609 106.075 147.964 1.00189.16 C
45
+ ATOM 42 CG ASP A 5 198.425 107.474 147.410 1.00189.16 C
46
+ ATOM 43 OD1 ASP A 5 198.191 107.605 146.190 1.00189.16 O
47
+ ATOM 44 OD2 ASP A 5 198.513 108.442 148.194 1.00189.16 O
48
+ ATOM 45 N LYS A 6 199.858 105.635 144.986 1.00192.81 N
49
+ ATOM 46 CA LYS A 6 201.053 105.619 144.149 1.00192.81 C
50
+ ATOM 47 C LYS A 6 202.224 106.325 144.818 1.00192.81 C
51
+ ATOM 48 O LYS A 6 203.379 105.930 144.619 1.00192.81 O
52
+ ATOM 49 CB LYS A 6 200.754 106.254 142.791 1.00192.81 C
53
+ ATOM 50 CG LYS A 6 200.366 107.720 142.849 1.00192.81 C
54
+ ATOM 51 CD LYS A 6 200.103 108.269 141.459 1.00192.81 C
55
+ ATOM 52 CE LYS A 6 201.388 108.359 140.653 1.00192.81 C
56
+ ATOM 53 NZ LYS A 6 202.331 109.358 141.226 1.00192.81 N
57
+ ATOM 54 N ASP A 7 201.953 107.361 145.610 1.00190.17 N
58
+ ATOM 55 CA ASP A 7 203.010 108.084 146.303 1.00190.17 C
59
+ ATOM 56 C ASP A 7 203.597 107.298 147.466 1.00190.17 C
60
+ ATOM 57 O ASP A 7 204.614 107.721 148.027 1.00190.17 O
61
+ ATOM 58 CB ASP A 7 202.481 109.428 146.807 1.00190.17 C
62
+ ATOM 59 CG ASP A 7 201.694 110.178 145.751 1.00190.17 C
63
+ ATOM 60 OD1 ASP A 7 202.322 110.847 144.903 1.00190.17 O
64
+ ATOM 61 OD2 ASP A 7 200.448 110.099 145.769 1.00190.17 O
65
+ ATOM 62 N THR A 8 202.989 106.177 147.839 1.00189.76 N
66
+ ATOM 63 CA THR A 8 203.451 105.353 148.946 1.00189.76 C
67
+ ATOM 64 C THR A 8 204.008 104.046 148.401 1.00189.76 C
68
+ ATOM 65 O THR A 8 203.322 103.335 147.659 1.00189.76 O
69
+ ATOM 66 CB THR A 8 202.315 105.071 149.930 1.00189.76 C
70
+ ATOM 67 OG1 THR A 8 201.339 104.226 149.306 1.00189.76 O
71
+ ATOM 68 CG2 THR A 8 201.648 106.370 150.354 1.00189.76 C
72
+ ATOM 69 N THR A 9 205.245 103.734 148.771 1.00191.17 N
73
+ ATOM 70 CA THR A 9 205.882 102.494 148.357 1.00191.17 C
74
+ ATOM 71 C THR A 9 205.645 101.409 149.398 1.00191.17 C
75
+ ATOM 72 O THR A 9 205.452 101.689 150.583 1.00191.17 O
76
+ ATOM 73 CB THR A 9 207.384 102.696 148.146 1.00191.17 C
77
+ ATOM 74 OG1 THR A 9 208.002 101.434 147.866 1.00191.17 O
78
+ ATOM 75 CG2 THR A 9 208.021 103.309 149.384 1.00191.17 C
79
+ ATOM 76 N GLY A 10 205.654 100.164 148.943 1.00194.51 N
80
+ ATOM 77 CA GLY A 10 205.434 99.052 149.844 1.00194.51 C
81
+ ATOM 78 C GLY A 10 205.191 97.771 149.079 1.00194.51 C
82
+ ATOM 79 O GLY A 10 205.244 97.729 147.846 1.00194.51 O
83
+ ATOM 80 N LEU A 11 204.922 96.719 149.846 1.00194.69 N
84
+ ATOM 81 CA LEU A 11 204.706 95.398 149.277 1.00194.69 C
85
+ ATOM 82 C LEU A 11 203.295 95.275 148.716 1.00194.69 C
86
+ ATOM 83 O LEU A 11 202.331 95.783 149.296 1.00194.69 O
87
+ ATOM 84 CB LEU A 11 204.943 94.318 150.332 1.00194.69 C
88
+ ATOM 85 CG LEU A 11 206.376 94.172 150.846 1.00194.69 C
89
+ ATOM 86 CD1 LEU A 11 206.504 92.946 151.736 1.00194.69 C
90
+ ATOM 87 CD2 LEU A 11 207.355 94.102 149.685 1.00194.69 C
91
+ ATOM 88 N MET A 12 203.183 94.595 147.579 1.00198.88 N
92
+ ATOM 89 CA MET A 12 201.903 94.303 146.952 1.00198.88 C
93
+ ATOM 90 C MET A 12 201.826 92.812 146.666 1.00198.88 C
94
+ ATOM 91 O MET A 12 202.830 92.190 146.305 1.00198.88 O
95
+ ATOM 92 CB MET A 12 201.718 95.102 145.656 1.00198.88 C
96
+ ATOM 93 CG MET A 12 201.623 96.605 145.861 1.00198.88 C
97
+ ATOM 94 SD MET A 12 200.220 97.088 146.885 1.00198.88 S
98
+ ATOM 95 CE MET A 12 198.855 96.704 145.790 1.00198.88 C
99
+ ATOM 96 N VAL A 13 200.637 92.240 146.829 1.00199.61 N
100
+ ATOM 97 CA VAL A 13 200.426 90.807 146.672 1.00199.61 C
101
+ ATOM 98 C VAL A 13 199.510 90.570 145.479 1.00199.61 C
102
+ ATOM 99 O VAL A 13 198.473 91.230 145.337 1.00199.61 O
103
+ ATOM 100 CB VAL A 13 199.864 90.173 147.957 1.00199.61 C
104
+ ATOM 101 CG1 VAL A 13 200.873 90.308 149.083 1.00199.61 C
105
+ ATOM 102 CG2 VAL A 13 198.545 90.817 148.361 1.00199.61 C
106
+ ATOM 103 N VAL A 14 199.918 89.654 144.603 1.00208.70 N
107
+ ATOM 104 CA VAL A 14 199.129 89.240 143.449 1.00208.70 C
108
+ ATOM 105 C VAL A 14 199.152 87.719 143.379 1.00208.70 C
109
+ ATOM 106 O VAL A 14 200.228 87.111 143.374 1.00208.70 O
110
+ ATOM 107 CB VAL A 14 199.662 89.850 142.137 1.00208.70 C
111
+ ATOM 108 CG1 VAL A 14 198.882 89.311 140.948 1.00208.70 C
112
+ ATOM 109 CG2 VAL A 14 199.591 91.371 142.181 1.00208.70 C
113
+ ATOM 110 N ALA A 15 197.969 87.110 143.322 1.00209.88 N
114
+ ATOM 111 CA ALA A 15 197.838 85.665 143.189 1.00209.88 C
115
+ ATOM 112 C ALA A 15 197.871 85.279 141.716 1.00209.88 C
116
+ ATOM 113 O ALA A 15 197.132 85.843 140.903 1.00209.88 O
117
+ ATOM 114 CB ALA A 15 196.544 85.175 143.836 1.00209.88 C
118
+ TER 115 ALA A 15
119
+ END
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