NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type | subtype | subsubtype |
|
|
371368 |
1ckw   |
4595 | cing | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ckw
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 243
_Distance_constraint_stats_list.Viol_count 180
_Distance_constraint_stats_list.Viol_total 131.586
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 ]"
1 2 PRO 0.382 0.098 10 0 "[ . 1 ]"
1 3 GLY 0.382 0.098 10 0 "[ . 1 ]"
1 4 THR 0.168 0.078 12 0 "[ . 1 ]"
1 5 ILE 0.261 0.078 12 0 "[ . 1 ]"
1 6 LYS 0.113 0.068 13 0 "[ . 1 ]"
1 7 GLU 0.029 0.029 9 0 "[ . 1 ]"
1 8 ASN 0.205 0.059 5 0 "[ . 1 ]"
1 9 ILE 0.107 0.023 8 0 "[ . 1 ]"
1 10 ILE 0.818 0.236 8 0 "[ . 1 ]"
1 11 GLY 0.258 0.059 5 0 "[ . 1 ]"
1 12 VAL 0.075 0.013 11 0 "[ . 1 ]"
1 13 SER 0.011 0.011 10 0 "[ . 1 ]"
1 14 TYR 0.121 0.042 13 0 "[ . 1 ]"
1 15 ASP 0.291 0.065 10 0 "[ . 1 ]"
1 16 GLU 0.734 0.061 1 0 "[ . 1 ]"
1 17 TYR 0.899 0.066 9 0 "[ . 1 ]"
1 18 ARG 0.521 0.065 10 0 "[ . 1 ]"
1 19 TYR 2.978 0.244 7 0 "[ . 1 ]"
1 20 ARG 0.216 0.072 1 0 "[ . 1 ]"
1 21 SER 0.733 0.113 1 0 "[ . 1 ]"
1 22 VAL 3.989 0.298 13 0 "[ . 1 ]"
1 23 ILE 0.304 0.074 3 0 "[ . 1 ]"
1 24 LYS 0.063 0.047 13 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 PRO HD2 1.800 . 3.300 2.179 2.030 2.485 . 0 0 "[ . 1 ]" 1
2 1 1 MET HA 1 2 PRO HD3 1.800 . 3.300 2.717 2.372 3.010 . 0 0 "[ . 1 ]" 1
3 1 1 MET HA 1 3 GLY H 1.800 . 3.300 3.110 2.998 3.294 . 0 0 "[ . 1 ]" 1
4 1 2 PRO HA 1 3 GLY H 1.800 . 3.300 3.317 3.218 3.398 0.098 10 0 "[ . 1 ]" 1
5 1 3 GLY H 1 4 THR H 1.800 . 5.000 3.746 2.069 4.579 . 0 0 "[ . 1 ]" 1
6 1 4 THR H 1 4 THR HB 1.800 . 3.300 3.001 2.392 3.268 . 0 0 "[ . 1 ]" 1
7 1 4 THR H 1 4 THR MG 1.800 . 3.800 2.271 1.865 3.021 . 0 0 "[ . 1 ]" 1
8 1 4 THR H 1 5 ILE H 1.800 . 2.800 2.482 1.855 2.878 0.078 12 0 "[ . 1 ]" 1
9 1 4 THR HA 1 4 THR MG 1.800 . 4.300 3.185 3.173 3.201 . 0 0 "[ . 1 ]" 1
10 1 4 THR HA 1 7 GLU H 1.800 . 5.000 3.145 2.786 4.030 . 0 0 "[ . 1 ]" 1
11 1 4 THR HA 1 7 GLU QB 1.800 . 3.800 2.666 1.968 3.092 . 0 0 "[ . 1 ]" 1
12 1 5 ILE H 1 5 ILE HB 1.800 . 3.300 2.614 2.419 2.814 . 0 0 "[ . 1 ]" 1
13 1 5 ILE H 1 5 ILE MD 1.800 . 4.800 3.011 1.956 3.750 . 0 0 "[ . 1 ]" 1
14 1 5 ILE H 1 5 ILE HG12 1.800 . 3.800 2.968 1.866 3.651 . 0 0 "[ . 1 ]" 1
15 1 5 ILE H 1 5 ILE HG13 1.800 . 3.800 2.700 1.869 3.764 . 0 0 "[ . 1 ]" 1
16 1 5 ILE H 1 5 ILE MG 1.800 . 6.000 3.778 3.741 3.832 . 0 0 "[ . 1 ]" 1
17 1 5 ILE H 1 6 LYS H 1.800 . 2.800 2.483 2.137 2.766 . 0 0 "[ . 1 ]" 1
18 1 5 ILE HA 1 5 ILE MD 1.800 . 5.300 3.090 1.865 3.892 . 0 0 "[ . 1 ]" 1
19 1 5 ILE HA 1 8 ASN H 1.800 . 5.000 4.102 3.659 4.613 . 0 0 "[ . 1 ]" 1
20 1 5 ILE HA 1 9 ILE H 1.800 . 5.000 4.601 2.977 5.007 0.007 8 0 "[ . 1 ]" 1
21 1 5 ILE HB 1 6 LYS H 1.800 . 3.300 2.957 2.563 3.312 0.012 4 0 "[ . 1 ]" 1
22 1 5 ILE MD 1 6 LYS H 1.800 . 4.800 4.333 3.633 4.868 0.068 13 0 "[ . 1 ]" 1
23 1 6 LYS H 1 6 LYS QB 1.800 . 3.300 2.461 2.241 2.756 . 0 0 "[ . 1 ]" 1
24 1 6 LYS H 1 6 LYS QG 1.800 . 5.500 3.213 1.925 4.174 . 0 0 "[ . 1 ]" 1
25 1 6 LYS H 1 7 GLU H 1.800 . 2.800 2.226 1.849 2.565 . 0 0 "[ . 1 ]" 1
26 1 6 LYS H 1 8 ASN H 1.800 . 5.000 3.693 3.285 4.135 . 0 0 "[ . 1 ]" 1
27 1 6 LYS H 1 9 ILE H 1.800 . 5.000 4.853 4.461 5.023 0.023 8 0 "[ . 1 ]" 1
28 1 6 LYS HA 1 6 LYS QG 1.800 . 3.800 2.415 1.994 3.333 . 0 0 "[ . 1 ]" 1
29 1 6 LYS HA 1 7 GLU H 1.800 . 5.000 3.490 3.108 3.587 . 0 0 "[ . 1 ]" 1
30 1 6 LYS HA 1 9 ILE H 1.800 . 5.000 3.556 3.048 5.006 0.006 13 0 "[ . 1 ]" 1
31 1 6 LYS HA 1 9 ILE HB 1.800 . 4.300 3.305 2.495 4.173 . 0 0 "[ . 1 ]" 1
32 1 6 LYS HA 1 10 ILE H 1.800 . 5.000 4.069 3.340 4.901 . 0 0 "[ . 1 ]" 1
33 1 6 LYS QB 1 7 GLU H 1.800 . 5.500 2.891 2.114 3.645 . 0 0 "[ . 1 ]" 1
34 1 7 GLU H 1 7 GLU QB 1.800 . 3.300 2.243 2.077 2.619 . 0 0 "[ . 1 ]" 1
35 1 7 GLU H 1 7 GLU QG 1.800 . 5.500 3.514 2.540 4.175 . 0 0 "[ . 1 ]" 1
36 1 7 GLU H 1 8 ASN H 1.800 . 2.800 2.522 1.905 2.770 . 0 0 "[ . 1 ]" 1
37 1 7 GLU H 1 9 ILE H 1.800 . 5.000 4.278 3.312 4.692 . 0 0 "[ . 1 ]" 1
38 1 7 GLU HA 1 7 GLU QG 1.800 . 3.800 2.198 1.923 2.708 . 0 0 "[ . 1 ]" 1
39 1 7 GLU HA 1 8 ASN H 1.800 . 5.000 3.475 3.396 3.570 . 0 0 "[ . 1 ]" 1
40 1 7 GLU HA 1 10 ILE H 1.800 . 5.000 3.714 3.078 4.220 . 0 0 "[ . 1 ]" 1
41 1 7 GLU HA 1 10 ILE HB 1.800 . 3.300 2.842 2.245 3.329 0.029 9 0 "[ . 1 ]" 1
42 1 7 GLU QB 1 8 ASN H 1.800 . 3.800 2.935 2.518 3.158 . 0 0 "[ . 1 ]" 1
43 1 7 GLU QG 1 8 ASN H 1.800 . 5.500 4.325 3.904 4.590 . 0 0 "[ . 1 ]" 1
44 1 8 ASN H 1 8 ASN HB2 1.800 . 2.800 2.564 2.325 2.796 . 0 0 "[ . 1 ]" 1
45 1 8 ASN H 1 8 ASN HB3 1.800 . 2.800 2.661 2.415 2.817 0.017 2 0 "[ . 1 ]" 1
46 1 8 ASN H 1 9 ILE H 1.800 . 2.800 2.509 2.278 2.822 0.022 5 0 "[ . 1 ]" 1
47 1 8 ASN H 1 10 ILE H 1.800 . 5.000 3.845 3.415 4.271 . 0 0 "[ . 1 ]" 1
48 1 8 ASN H 1 11 GLY H 1.800 . 5.000 4.962 4.749 5.059 0.059 5 0 "[ . 1 ]" 1
49 1 8 ASN HA 1 9 ILE H 1.800 . 5.000 3.566 3.497 3.587 . 0 0 "[ . 1 ]" 1
50 1 8 ASN HA 1 11 GLY H 1.800 . 5.000 3.690 3.369 3.937 . 0 0 "[ . 1 ]" 1
51 1 8 ASN HA 1 12 VAL H 1.800 . 5.000 4.860 4.622 5.013 0.013 11 0 "[ . 1 ]" 1
52 1 8 ASN HB2 1 9 ILE H 1.800 . 5.000 3.720 3.545 3.936 . 0 0 "[ . 1 ]" 1
53 1 8 ASN HB3 1 9 ILE H 1.800 . 5.000 2.488 2.239 2.967 . 0 0 "[ . 1 ]" 1
54 1 9 ILE H 1 9 ILE HB 1.800 . 2.800 2.635 2.502 2.719 . 0 0 "[ . 1 ]" 1
55 1 9 ILE H 1 9 ILE MD 1.800 . 6.000 2.983 2.647 3.289 . 0 0 "[ . 1 ]" 1
56 1 9 ILE H 1 9 ILE HG12 1.800 . 3.800 1.954 1.864 2.142 . 0 0 "[ . 1 ]" 1
57 1 9 ILE H 1 9 ILE HG13 1.800 . 3.800 3.497 3.372 3.584 . 0 0 "[ . 1 ]" 1
58 1 9 ILE H 1 9 ILE MG 1.800 . 6.000 3.773 3.760 3.805 . 0 0 "[ . 1 ]" 1
59 1 9 ILE H 1 10 ILE H 1.800 . 2.800 2.643 2.468 2.815 0.015 10 0 "[ . 1 ]" 1
60 1 9 ILE H 1 11 GLY H 1.800 . 5.000 4.241 3.819 4.750 . 0 0 "[ . 1 ]" 1
61 1 9 ILE H 1 12 VAL H 1.800 . 5.000 4.809 4.644 5.012 0.012 6 0 "[ . 1 ]" 1
62 1 9 ILE HA 1 9 ILE MD 1.800 . 4.800 1.930 1.863 2.016 . 0 0 "[ . 1 ]" 1
63 1 9 ILE HA 1 9 ILE HG12 1.800 . 3.800 3.162 3.002 3.320 . 0 0 "[ . 1 ]" 1
64 1 9 ILE HA 1 9 ILE HG13 1.800 . 3.800 3.744 3.697 3.798 . 0 0 "[ . 1 ]" 1
65 1 9 ILE HA 1 9 ILE MG 1.800 . 4.800 2.302 2.233 2.435 . 0 0 "[ . 1 ]" 1
66 1 9 ILE HA 1 10 ILE H 1.800 . 5.000 3.538 3.444 3.579 . 0 0 "[ . 1 ]" 1
67 1 9 ILE HA 1 12 VAL H 1.800 . 5.000 3.031 2.819 3.360 . 0 0 "[ . 1 ]" 1
68 1 9 ILE HB 1 10 ILE H 1.800 . 3.300 2.680 2.378 3.110 . 0 0 "[ . 1 ]" 1
69 1 9 ILE MD 1 10 ILE H 1.800 . 6.000 4.502 4.384 4.612 . 0 0 "[ . 1 ]" 1
70 1 9 ILE MD 1 12 VAL MG2 1.800 . 5.300 2.782 2.271 3.276 . 0 0 "[ . 1 ]" 1
71 1 9 ILE HG12 1 10 ILE H 1.800 . 5.500 4.055 3.814 4.282 . 0 0 "[ . 1 ]" 1
72 1 9 ILE HG13 1 10 ILE H 1.800 . 5.500 4.924 4.665 5.210 . 0 0 "[ . 1 ]" 1
73 1 9 ILE MG 1 10 ILE H 1.800 . 6.000 3.681 3.511 3.974 . 0 0 "[ . 1 ]" 1
74 1 9 ILE MG 1 12 VAL MG1 1.800 . 5.300 3.366 3.180 3.470 . 0 0 "[ . 1 ]" 1
75 1 10 ILE H 1 10 ILE HB 1.800 . 2.800 2.341 2.122 2.647 . 0 0 "[ . 1 ]" 1
76 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 3.644 2.470 4.256 . 0 0 "[ . 1 ]" 1
77 1 10 ILE H 1 10 ILE HG12 1.800 . 5.500 3.659 2.550 4.591 . 0 0 "[ . 1 ]" 1
78 1 10 ILE H 1 10 ILE HG13 1.800 . 5.500 3.037 1.908 4.388 . 0 0 "[ . 1 ]" 1
79 1 10 ILE H 1 10 ILE MG 1.800 . 6.000 3.529 2.658 3.774 . 0 0 "[ . 1 ]" 1
80 1 10 ILE H 1 11 GLY H 1.800 . 2.800 2.789 2.632 2.841 0.041 9 0 "[ . 1 ]" 1
81 1 10 ILE H 1 12 VAL H 1.800 . 5.000 4.015 3.687 4.233 . 0 0 "[ . 1 ]" 1
82 1 10 ILE HA 1 10 ILE MD 1.800 . 5.000 3.332 1.845 3.804 . 0 0 "[ . 1 ]" 1
83 1 10 ILE HA 1 10 ILE HG12 1.800 . 3.300 2.564 2.167 3.159 . 0 0 "[ . 1 ]" 1
84 1 10 ILE HA 1 10 ILE HG13 1.800 . 3.300 2.837 2.108 3.536 0.236 8 0 "[ . 1 ]" 1
85 1 10 ILE HA 1 10 ILE MG 1.800 . 5.000 2.666 2.401 3.175 . 0 0 "[ . 1 ]" 1
86 1 10 ILE HA 1 13 SER H 1.800 . 5.000 3.544 2.984 3.972 . 0 0 "[ . 1 ]" 1
87 1 10 ILE HA 1 13 SER QB 1.800 . 4.300 3.287 2.451 3.856 . 0 0 "[ . 1 ]" 1
88 1 10 ILE HA 1 14 TYR H 1.800 . 5.000 4.425 3.080 5.020 0.020 9 0 "[ . 1 ]" 1
89 1 10 ILE HB 1 11 GLY H 1.800 . 5.000 2.946 2.526 3.734 . 0 0 "[ . 1 ]" 1
90 1 10 ILE MD 1 11 GLY H 1.800 . 6.500 4.530 4.059 4.763 . 0 0 "[ . 1 ]" 1
91 1 10 ILE HG12 1 11 GLY H 1.800 . 5.500 4.919 4.381 5.256 . 0 0 "[ . 1 ]" 1
92 1 10 ILE HG13 1 11 GLY H 1.800 . 5.500 4.732 4.248 5.341 . 0 0 "[ . 1 ]" 1
93 1 10 ILE MG 1 11 GLY H 1.800 . 6.500 2.891 1.843 3.708 . 0 0 "[ . 1 ]" 1
94 1 10 ILE MG 1 14 TYR QD 1.800 . 6.100 3.102 1.870 4.413 . 0 0 "[ . 1 ]" 1
95 1 10 ILE MG 1 14 TYR QE 1.800 . 8.300 3.768 2.186 5.469 . 0 0 "[ . 1 ]" 1
96 1 11 GLY H 1 12 VAL H 1.800 . 2.800 2.491 2.283 2.703 . 0 0 "[ . 1 ]" 1
97 1 11 GLY H 1 13 SER H 1.800 . 5.000 4.068 3.807 4.349 . 0 0 "[ . 1 ]" 1
98 1 12 VAL H 1 12 VAL HB 1.800 . 3.300 2.411 2.355 2.494 . 0 0 "[ . 1 ]" 1
99 1 12 VAL H 1 12 VAL MG1 1.800 . 6.500 3.753 3.736 3.773 . 0 0 "[ . 1 ]" 1
100 1 12 VAL H 1 12 VAL MG2 1.800 . 3.800 2.396 2.163 2.797 . 0 0 "[ . 1 ]" 1
101 1 12 VAL H 1 13 SER H 1.800 . 2.800 2.554 2.172 2.780 . 0 0 "[ . 1 ]" 1
102 1 12 VAL H 1 14 TYR H 1.800 . 5.000 3.881 3.593 4.370 . 0 0 "[ . 1 ]" 1
103 1 12 VAL HA 1 12 VAL MG1 1.800 . 3.800 2.413 2.291 2.512 . 0 0 "[ . 1 ]" 1
104 1 12 VAL HA 1 12 VAL MG2 1.800 . 3.800 2.294 2.171 2.375 . 0 0 "[ . 1 ]" 1
105 1 12 VAL HA 1 13 SER H 1.800 . 5.000 3.505 3.379 3.574 . 0 0 "[ . 1 ]" 1
106 1 12 VAL HA 1 15 ASP H 1.800 . 5.000 3.940 3.552 4.546 . 0 0 "[ . 1 ]" 1
107 1 12 VAL HA 1 16 GLU H 1.800 . 5.000 4.355 3.485 5.012 0.012 3 0 "[ . 1 ]" 1
108 1 12 VAL HB 1 13 SER H 1.800 . 3.300 2.867 2.484 3.311 0.011 10 0 "[ . 1 ]" 1
109 1 12 VAL MG1 1 13 SER H 1.800 . 6.500 3.502 3.187 3.864 . 0 0 "[ . 1 ]" 1
110 1 12 VAL MG2 1 13 SER H 1.800 . 6.500 4.014 3.869 4.155 . 0 0 "[ . 1 ]" 1
111 1 13 SER H 1 13 SER HB2 1.800 . 4.300 2.564 2.109 3.817 . 0 0 "[ . 1 ]" 1
112 1 13 SER H 1 13 SER HB3 1.800 . 4.300 3.079 2.454 3.605 . 0 0 "[ . 1 ]" 1
113 1 13 SER H 1 14 TYR H 1.800 . 2.800 2.338 1.936 2.658 . 0 0 "[ . 1 ]" 1
114 1 13 SER H 1 15 ASP H 1.800 . 5.000 4.006 3.449 4.625 . 0 0 "[ . 1 ]" 1
115 1 13 SER HA 1 14 TYR H 1.800 . 5.000 3.414 3.110 3.578 . 0 0 "[ . 1 ]" 1
116 1 13 SER HA 1 16 GLU H 1.800 . 5.000 3.810 3.211 4.471 . 0 0 "[ . 1 ]" 1
117 1 13 SER HA 1 16 GLU QB 1.800 . 4.300 3.068 2.378 3.568 . 0 0 "[ . 1 ]" 1
118 1 13 SER HA 1 17 TYR H 1.800 . 5.000 4.305 3.600 4.869 . 0 0 "[ . 1 ]" 1
119 1 13 SER HB2 1 14 TYR H 1.800 . 5.500 3.710 2.757 4.540 . 0 0 "[ . 1 ]" 1
120 1 13 SER HB3 1 14 TYR H 1.800 . 5.500 3.494 2.943 4.159 . 0 0 "[ . 1 ]" 1
121 1 14 TYR H 1 14 TYR QD 1.800 . 5.600 3.428 1.997 4.056 . 0 0 "[ . 1 ]" 1
122 1 14 TYR H 1 15 ASP H 1.800 . 2.800 2.395 1.880 2.813 0.013 10 0 "[ . 1 ]" 1
123 1 14 TYR H 1 16 GLU H 1.800 . 5.000 4.108 3.327 4.734 . 0 0 "[ . 1 ]" 1
124 1 14 TYR H 1 17 TYR H 1.800 . 5.000 4.769 4.227 5.042 0.042 13 0 "[ . 1 ]" 1
125 1 14 TYR HA 1 14 TYR QD 1.800 . 5.100 2.474 1.961 2.935 . 0 0 "[ . 1 ]" 1
126 1 14 TYR HA 1 15 ASP H 1.800 . 5.000 3.515 3.432 3.591 . 0 0 "[ . 1 ]" 1
127 1 14 TYR HA 1 17 TYR H 1.800 . 5.000 3.751 3.297 4.199 . 0 0 "[ . 1 ]" 1
128 1 14 TYR HA 1 17 TYR QB 1.800 . 4.300 2.983 2.478 3.501 . 0 0 "[ . 1 ]" 1
129 1 14 TYR HA 1 17 TYR QD 1.800 . 7.300 2.558 1.859 3.652 . 0 0 "[ . 1 ]" 1
130 1 14 TYR HA 1 18 ARG H 1.800 . 5.000 4.167 3.642 4.738 . 0 0 "[ . 1 ]" 1
131 1 14 TYR QB 1 15 ASP H 1.800 . 4.300 2.822 2.432 3.089 . 0 0 "[ . 1 ]" 1
132 1 14 TYR QD 1 15 ASP H 1.800 . 5.600 4.574 4.263 4.744 . 0 0 "[ . 1 ]" 1
133 1 14 TYR QD 1 17 TYR QD 1.800 . 7.400 3.463 2.168 4.746 . 0 0 "[ . 1 ]" 1
134 1 15 ASP H 1 15 ASP HB2 1.800 . 4.300 2.442 2.128 3.702 . 0 0 "[ . 1 ]" 1
135 1 15 ASP H 1 15 ASP HB3 1.800 . 4.300 3.142 2.384 3.629 . 0 0 "[ . 1 ]" 1
136 1 15 ASP H 1 16 GLU H 1.800 . 2.800 2.629 2.318 2.822 0.022 2 0 "[ . 1 ]" 1
137 1 15 ASP H 1 17 TYR H 1.800 . 5.000 3.977 3.656 4.314 . 0 0 "[ . 1 ]" 1
138 1 15 ASP H 1 18 ARG H 1.800 . 5.000 4.773 4.583 5.065 0.065 10 0 "[ . 1 ]" 1
139 1 15 ASP HA 1 16 GLU H 1.800 . 5.000 3.579 3.551 3.597 . 0 0 "[ . 1 ]" 1
140 1 15 ASP HA 1 18 ARG H 1.800 . 5.000 3.447 3.085 3.618 . 0 0 "[ . 1 ]" 1
141 1 15 ASP HA 1 18 ARG HB2 1.800 . 3.300 3.252 2.784 3.334 0.034 4 0 "[ . 1 ]" 1
142 1 15 ASP HA 1 18 ARG HB3 1.800 . 3.300 3.096 2.611 3.327 0.027 12 0 "[ . 1 ]" 1
143 1 15 ASP HA 1 19 TYR H 1.800 . 5.000 4.198 3.702 4.731 . 0 0 "[ . 1 ]" 1
144 1 15 ASP HB2 1 16 GLU H 1.800 . 5.500 3.125 2.256 3.792 . 0 0 "[ . 1 ]" 1
145 1 15 ASP HB3 1 16 GLU H 1.800 . 5.500 2.857 2.254 3.745 . 0 0 "[ . 1 ]" 1
146 1 16 GLU H 1 16 GLU HB2 1.800 . 3.300 2.097 2.081 2.121 . 0 0 "[ . 1 ]" 1
147 1 16 GLU H 1 16 GLU HB3 1.800 . 3.300 3.275 3.140 3.337 0.037 7 0 "[ . 1 ]" 1
148 1 16 GLU H 1 16 GLU HG3 1.800 . 5.500 3.880 3.470 4.430 . 0 0 "[ . 1 ]" 1
149 1 16 GLU H 1 17 TYR H 1.800 . 2.800 2.807 2.728 2.861 0.061 1 0 "[ . 1 ]" 1
150 1 16 GLU H 1 19 TYR H 1.800 . 5.000 4.662 4.518 4.968 . 0 0 "[ . 1 ]" 1
151 1 16 GLU HA 1 16 GLU HG3 1.800 . 3.300 2.447 1.917 3.086 . 0 0 "[ . 1 ]" 1
152 1 16 GLU HA 1 17 TYR H 1.800 . 5.000 3.548 3.513 3.576 . 0 0 "[ . 1 ]" 1
153 1 16 GLU HA 1 19 TYR H 1.800 . 5.000 3.486 3.332 3.766 . 0 0 "[ . 1 ]" 1
154 1 16 GLU HA 1 19 TYR HB2 1.800 . 3.300 2.097 1.987 2.380 . 0 0 "[ . 1 ]" 1
155 1 16 GLU HA 1 19 TYR HB3 1.800 . 3.300 3.311 3.201 3.339 0.039 7 0 "[ . 1 ]" 1
156 1 16 GLU HA 1 19 TYR QD 1.800 . 7.300 3.476 1.829 4.202 . 0 0 "[ . 1 ]" 1
157 1 16 GLU HA 1 20 ARG H 1.800 . 5.000 4.338 3.968 4.942 . 0 0 "[ . 1 ]" 1
158 1 16 GLU HB2 1 17 TYR H 1.800 . 3.300 3.241 3.065 3.329 0.029 10 0 "[ . 1 ]" 1
159 1 16 GLU HB3 1 17 TYR H 1.800 . 5.000 2.851 2.542 3.077 . 0 0 "[ . 1 ]" 1
160 1 16 GLU HG3 1 17 TYR H 1.800 . 5.500 4.936 4.518 5.243 . 0 0 "[ . 1 ]" 1
161 1 17 TYR H 1 17 TYR QB 1.800 . 3.300 2.156 2.041 2.704 . 0 0 "[ . 1 ]" 1
162 1 17 TYR H 1 17 TYR QD 1.800 . 5.600 3.448 2.487 4.033 . 0 0 "[ . 1 ]" 1
163 1 17 TYR H 1 18 ARG H 1.800 . 2.800 2.787 2.624 2.848 0.048 3 0 "[ . 1 ]" 1
164 1 17 TYR H 1 19 TYR H 1.800 . 5.000 3.604 3.339 3.743 . 0 0 "[ . 1 ]" 1
165 1 17 TYR H 1 20 ARG H 1.800 . 5.000 4.598 4.391 4.935 . 0 0 "[ . 1 ]" 1
166 1 17 TYR HA 1 17 TYR QD 1.800 . 5.100 2.852 2.040 3.277 . 0 0 "[ . 1 ]" 1
167 1 17 TYR HA 1 18 ARG H 1.800 . 5.000 3.574 3.553 3.601 . 0 0 "[ . 1 ]" 1
168 1 17 TYR HA 1 20 ARG H 1.800 . 5.000 3.168 2.992 3.575 . 0 0 "[ . 1 ]" 1
169 1 17 TYR HA 1 20 ARG QB 1.800 . 4.300 2.657 2.287 3.641 . 0 0 "[ . 1 ]" 1
170 1 17 TYR HA 1 21 SER H 1.800 . 5.000 4.939 4.174 5.066 0.066 9 0 "[ . 1 ]" 1
171 1 17 TYR QB 1 18 ARG H 1.800 . 3.300 2.693 2.134 2.989 . 0 0 "[ . 1 ]" 1
172 1 17 TYR QD 1 18 ARG H 1.800 . 5.600 2.840 2.250 4.098 . 0 0 "[ . 1 ]" 1
173 1 17 TYR QD 1 18 ARG HA 1.800 . 7.200 3.998 3.359 5.843 . 0 0 "[ . 1 ]" 1
174 1 17 TYR QD 1 19 TYR QD 1.800 . 8.400 6.174 5.792 6.814 . 0 0 "[ . 1 ]" 1
175 1 17 TYR QD 1 20 ARG QG 1.800 . 7.800 5.118 3.548 5.732 . 0 0 "[ . 1 ]" 1
176 1 18 ARG H 1 18 ARG QB 1.800 . 3.300 2.155 2.074 2.257 . 0 0 "[ . 1 ]" 1
177 1 18 ARG H 1 18 ARG HG2 1.800 . 5.500 4.451 3.983 4.698 . 0 0 "[ . 1 ]" 1
178 1 18 ARG H 1 18 ARG HG3 1.800 . 5.500 4.132 3.900 4.379 . 0 0 "[ . 1 ]" 1
179 1 18 ARG H 1 19 TYR H 1.800 . 2.800 2.661 2.596 2.707 . 0 0 "[ . 1 ]" 1
180 1 18 ARG H 1 20 ARG H 1.800 . 5.000 4.162 3.984 4.538 . 0 0 "[ . 1 ]" 1
181 1 18 ARG HA 1 18 ARG HG2 1.800 . 3.800 2.582 1.937 3.296 . 0 0 "[ . 1 ]" 1
182 1 18 ARG HA 1 18 ARG HG3 1.800 . 3.800 2.537 2.038 3.365 . 0 0 "[ . 1 ]" 1
183 1 18 ARG HA 1 19 TYR H 1.800 . 5.000 3.394 3.223 3.457 . 0 0 "[ . 1 ]" 1
184 1 18 ARG HA 1 21 SER H 1.800 . 5.000 4.060 3.218 4.750 . 0 0 "[ . 1 ]" 1
185 1 18 ARG QB 1 19 TYR H 1.800 . 4.300 3.105 2.849 3.493 . 0 0 "[ . 1 ]" 1
186 1 18 ARG QG 1 19 TYR H 1.800 . 5.500 4.423 4.007 4.627 . 0 0 "[ . 1 ]" 1
187 1 19 TYR H 1 19 TYR HB2 1.800 . 3.300 2.172 2.038 2.300 . 0 0 "[ . 1 ]" 1
188 1 19 TYR H 1 19 TYR HB3 1.800 . 3.300 3.451 3.311 3.544 0.244 7 0 "[ . 1 ]" 1
189 1 19 TYR H 1 19 TYR QD 1.800 . 5.600 2.958 2.551 3.712 . 0 0 "[ . 1 ]" 1
190 1 19 TYR H 1 20 ARG H 1.800 . 2.800 2.245 1.885 2.711 . 0 0 "[ . 1 ]" 1
191 1 19 TYR HA 1 19 TYR QD 1.800 . 5.100 2.285 1.702 2.953 0.098 3 0 "[ . 1 ]" 1
192 1 19 TYR HA 1 20 ARG H 1.800 . 5.000 3.461 3.360 3.580 . 0 0 "[ . 1 ]" 1
193 1 19 TYR HA 1 22 VAL MG1 1.800 . 6.000 1.935 1.725 2.938 0.075 1 0 "[ . 1 ]" 1
194 1 19 TYR HA 1 22 VAL MG2 1.800 . 4.300 3.394 3.219 3.506 . 0 0 "[ . 1 ]" 1
195 1 19 TYR HB2 1 20 ARG H 1.800 . 3.300 3.137 2.664 3.372 0.072 1 0 "[ . 1 ]" 1
196 1 19 TYR HB3 1 20 ARG H 1.800 . 5.000 3.602 2.960 4.015 . 0 0 "[ . 1 ]" 1
197 1 19 TYR QD 1 20 ARG H 1.800 . 7.300 4.449 4.265 4.679 . 0 0 "[ . 1 ]" 1
198 1 19 TYR QD 1 23 ILE HB 1.800 . 7.300 4.146 3.574 4.752 . 0 0 "[ . 1 ]" 1
199 1 19 TYR QD 1 23 ILE MD 1.800 . 7.300 2.506 1.968 3.410 . 0 0 "[ . 1 ]" 1
200 1 19 TYR QD 1 23 ILE MG 1.800 . 7.300 3.885 3.457 4.416 . 0 0 "[ . 1 ]" 1
201 1 19 TYR QE 1 23 ILE MD 1.800 . 7.300 3.225 2.746 3.930 . 0 0 "[ . 1 ]" 1
202 1 19 TYR QE 1 23 ILE MG 1.800 . 7.300 4.762 4.103 5.252 . 0 0 "[ . 1 ]" 1
203 1 20 ARG H 1 20 ARG QB 1.800 . 3.300 2.223 2.070 2.549 . 0 0 "[ . 1 ]" 1
204 1 20 ARG H 1 20 ARG QG 1.800 . 5.500 3.419 2.149 4.121 . 0 0 "[ . 1 ]" 1
205 1 20 ARG H 1 21 SER H 1.800 . 2.800 2.652 2.527 2.845 0.045 1 0 "[ . 1 ]" 1
206 1 20 ARG HA 1 20 ARG QG 1.800 . 3.300 2.279 1.900 2.787 . 0 0 "[ . 1 ]" 1
207 1 20 ARG HA 1 21 SER H 1.800 . 5.000 3.489 3.256 3.598 . 0 0 "[ . 1 ]" 1
208 1 20 ARG QB 1 21 SER H 1.800 . 5.500 2.886 1.962 3.462 . 0 0 "[ . 1 ]" 1
209 1 20 ARG QD 1 20 ARG QG 1.800 . 7.800 2.067 2.010 2.102 . 0 0 "[ . 1 ]" 1
210 1 20 ARG QG 1 21 SER H 1.800 . 5.500 4.101 3.079 4.632 . 0 0 "[ . 1 ]" 1
211 1 21 SER H 1 21 SER HB2 1.800 . 2.800 2.697 2.470 2.858 0.058 1 0 "[ . 1 ]" 1
212 1 21 SER H 1 21 SER HB3 1.800 . 2.800 2.729 2.491 2.868 0.068 1 0 "[ . 1 ]" 1
213 1 21 SER H 1 22 VAL H 1.800 . 2.800 2.630 2.062 2.913 0.113 1 0 "[ . 1 ]" 1
214 1 21 SER HA 1 22 VAL H 1.800 . 5.000 3.075 2.731 3.502 . 0 0 "[ . 1 ]" 1
215 1 21 SER HA 1 22 VAL MG1 1.800 . 5.000 4.096 4.008 4.173 . 0 0 "[ . 1 ]" 1
216 1 22 VAL H 1 22 VAL HB 1.800 . 3.300 3.552 3.438 3.598 0.298 13 0 "[ . 1 ]" 1
217 1 22 VAL H 1 22 VAL MG1 1.800 . 6.000 1.988 1.783 2.180 0.017 1 0 "[ . 1 ]" 1
218 1 22 VAL H 1 22 VAL MG2 1.800 . 4.300 3.572 2.928 3.723 . 0 0 "[ . 1 ]" 1
219 1 22 VAL H 1 23 ILE H 1.800 . 2.800 2.041 1.868 2.773 . 0 0 "[ . 1 ]" 1
220 1 22 VAL HA 1 22 VAL MG1 1.800 . 4.300 3.091 2.833 3.139 . 0 0 "[ . 1 ]" 1
221 1 22 VAL HA 1 22 VAL MG2 1.800 . 5.000 2.685 2.558 3.046 . 0 0 "[ . 1 ]" 1
222 1 22 VAL HA 1 23 ILE H 1.800 . 5.000 3.556 3.386 3.591 . 0 0 "[ . 1 ]" 1
223 1 22 VAL HB 1 23 ILE H 1.800 . 5.000 4.043 3.616 4.525 . 0 0 "[ . 1 ]" 1
224 1 22 VAL MG1 1 23 ILE H 1.800 . 4.300 2.034 1.807 3.023 . 0 0 "[ . 1 ]" 1
225 1 22 VAL MG1 1 23 ILE MD 1.800 . 4.800 2.775 2.190 3.117 . 0 0 "[ . 1 ]" 1
226 1 22 VAL MG1 1 23 ILE HG13 1.800 . 6.000 3.406 1.935 4.211 . 0 0 "[ . 1 ]" 1
227 1 22 VAL MG2 1 23 ILE H 1.800 . 6.000 2.754 1.829 3.214 . 0 0 "[ . 1 ]" 1
228 1 23 ILE H 1 23 ILE HB 1.800 . 2.800 2.585 2.379 2.807 0.007 9 0 "[ . 1 ]" 1
229 1 23 ILE H 1 23 ILE MD 1.800 . 4.300 2.908 2.141 3.281 . 0 0 "[ . 1 ]" 1
230 1 23 ILE H 1 23 ILE HG12 1.800 . 5.000 3.351 1.822 4.445 . 0 0 "[ . 1 ]" 1
231 1 23 ILE H 1 23 ILE HG13 1.800 . 3.300 2.936 1.850 3.374 0.074 3 0 "[ . 1 ]" 1
232 1 23 ILE H 1 23 ILE MG 1.800 . 6.000 3.779 3.747 3.818 . 0 0 "[ . 1 ]" 1
233 1 23 ILE H 1 24 LYS H 1.800 . 2.800 2.525 1.974 2.847 0.047 13 0 "[ . 1 ]" 1
234 1 23 ILE HA 1 23 ILE MD 1.800 . 5.000 3.199 1.985 3.983 . 0 0 "[ . 1 ]" 1
235 1 23 ILE HA 1 23 ILE HG13 1.800 . 4.300 2.882 2.177 3.894 . 0 0 "[ . 1 ]" 1
236 1 23 ILE HA 1 23 ILE MG 1.800 . 4.300 2.314 2.144 2.452 . 0 0 "[ . 1 ]" 1
237 1 23 ILE HA 1 24 LYS H 1.800 . 5.000 3.563 3.487 3.591 . 0 0 "[ . 1 ]" 1
238 1 23 ILE HB 1 24 LYS H 1.800 . 3.300 2.398 1.904 2.974 . 0 0 "[ . 1 ]" 1
239 1 23 ILE QG 1 24 LYS H 1.800 . 5.500 3.965 3.418 4.461 . 0 0 "[ . 1 ]" 1
240 1 23 ILE MG 1 24 LYS H 1.800 . 4.300 3.358 2.833 3.595 . 0 0 "[ . 1 ]" 1
241 1 24 LYS H 1 24 LYS QB 1.800 . 3.800 2.532 2.159 3.326 . 0 0 "[ . 1 ]" 1
242 1 24 LYS H 1 24 LYS HG2 1.800 . 5.000 3.892 2.561 4.589 . 0 0 "[ . 1 ]" 1
243 1 24 LYS H 1 24 LYS HG3 1.800 . 5.000 4.014 2.578 4.858 . 0 0 "[ . 1 ]" 1
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