NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563928 |
2m9j   |
19296 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9j
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 279
_Distance_constraint_stats_list.Viol_count 582
_Distance_constraint_stats_list.Viol_total 575.949
_Distance_constraint_stats_list.Viol_max 0.517
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0582
_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 2 LEU 5.562 0.517 11 1 "[ . 1+ . ]"
1 3 PRO 7.488 0.269 13 0 "[ . 1 . ]"
1 4 PRO 0.266 0.183 2 0 "[ . 1 . ]"
1 5 GLY 0.266 0.183 2 0 "[ . 1 . ]"
1 6 TRP 10.752 0.240 14 0 "[ . 1 . ]"
1 7 GLU 3.965 0.240 14 0 "[ . 1 . ]"
1 8 LYS 1.800 0.116 5 0 "[ . 1 . ]"
1 9 ARG 0.929 0.116 5 0 "[ . 1 . ]"
1 10 MET 1.173 0.083 9 0 "[ . 1 . ]"
1 11 PHE 0.089 0.024 4 0 "[ . 1 . ]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 15 GLY 0.358 0.055 9 0 "[ . 1 . ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 17 VAL 1.368 0.083 9 0 "[ . 1 . ]"
1 18 TYR 1.681 0.102 12 0 "[ . 1 . ]"
1 19 TYR 1.986 0.113 15 0 "[ . 1 . ]"
1 20 PHE 2.461 0.175 14 0 "[ . 1 . ]"
1 21 ASN 1.034 0.085 2 0 "[ . 1 . ]"
1 22 HIS 0.769 0.131 14 0 "[ . 1 . ]"
1 23 ILE 0.426 0.057 3 0 "[ . 1 . ]"
1 24 THR 0.914 0.103 12 0 "[ . 1 . ]"
1 25 ASN 1.029 0.165 17 0 "[ . 1 . ]"
1 26 ALA 0.513 0.165 17 0 "[ . 1 . ]"
1 27 SER 2.485 0.113 15 0 "[ . 1 . ]"
1 28 GLN 0.992 0.097 14 0 "[ . 1 . ]"
1 29 PHE 0.178 0.022 2 0 "[ . 1 . ]"
1 30 GLU 1.491 0.234 2 0 "[ . 1 . ]"
1 31 ARG 1.304 0.234 2 0 "[ . 1 . ]"
1 32 PRO 14.589 0.517 11 1 "[ . 1+ . ]"
1 33 SER 0.796 0.106 5 0 "[ . 1 . ]"
1 34 GLY 0.189 0.106 5 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 8 LYS H 1 8 LYS HB2 . . 4.000 2.507 2.062 2.867 . 0 0 "[ . 1 . ]" 1
2 1 8 LYS H 1 8 LYS HB3 . . 4.000 2.460 2.119 2.706 . 0 0 "[ . 1 . ]" 1
3 1 11 PHE H 1 11 PHE HB3 . . 4.000 3.519 3.445 3.545 . 0 0 "[ . 1 . ]" 1
4 1 11 PHE H 1 11 PHE HB2 . . 4.000 2.258 2.157 2.303 . 0 0 "[ . 1 . ]" 1
5 1 17 VAL H 1 17 VAL HB . . 3.000 2.753 2.712 2.813 . 0 0 "[ . 1 . ]" 1
6 1 18 TYR H 1 18 TYR HB2 . . 4.000 3.991 3.979 4.008 0.008 12 0 "[ . 1 . ]" 1
7 1 18 TYR H 1 18 TYR HB3 . . 4.000 3.405 3.353 3.442 . 0 0 "[ . 1 . ]" 1
8 1 20 PHE H 1 20 PHE HB3 . . 4.000 2.552 2.500 2.605 . 0 0 "[ . 1 . ]" 1
9 1 20 PHE H 1 20 PHE HB2 . . 4.000 2.987 2.842 3.037 . 0 0 "[ . 1 . ]" 1
10 1 23 ILE H 1 23 ILE HB . . 3.000 2.242 2.149 2.344 . 0 0 "[ . 1 . ]" 1
11 1 24 THR H 1 24 THR HB . . 4.000 3.747 3.693 3.765 . 0 0 "[ . 1 . ]" 1
12 1 25 ASN H 1 25 ASN HB2 . . 4.000 3.789 3.232 3.841 . 0 0 "[ . 1 . ]" 1
13 1 27 SER H 1 27 SER HB2 . . 4.000 3.834 3.814 3.856 . 0 0 "[ . 1 . ]" 1
14 1 30 GLU H 1 30 GLU HB2 . . 4.000 2.521 2.156 3.674 . 0 0 "[ . 1 . ]" 1
15 1 30 GLU H 1 30 GLU HB3 . . 4.000 3.014 2.345 3.581 . 0 0 "[ . 1 . ]" 1
16 1 22 HIS HA 1 22 HIS HB3 . . 3.000 2.399 2.332 2.450 . 0 0 "[ . 1 . ]" 1
17 1 22 HIS HA 1 22 HIS HB2 . . 3.000 2.471 2.395 3.034 0.034 14 0 "[ . 1 . ]" 1
18 1 24 THR HA 1 24 THR HB . . 3.000 2.417 2.353 2.474 . 0 0 "[ . 1 . ]" 1
19 1 29 PHE HA 1 29 PHE HB2 . . 3.000 3.010 3.001 3.022 0.022 2 0 "[ . 1 . ]" 1
20 1 29 PHE HA 1 29 PHE HB3 . . 3.000 2.494 2.451 2.534 . 0 0 "[ . 1 . ]" 1
21 1 30 GLU HA 1 30 GLU HB2 . . 3.000 2.711 2.326 3.021 0.021 15 0 "[ . 1 . ]" 1
22 1 30 GLU HA 1 30 GLU HB3 . . 3.000 2.824 2.319 3.041 0.041 4 0 "[ . 1 . ]" 1
23 1 6 TRP HA 1 6 TRP HZ3 . . 5.000 5.009 4.810 5.079 0.079 5 0 "[ . 1 . ]" 1
24 1 6 TRP HA 1 6 TRP HD1 . . 4.500 4.401 4.256 4.464 . 0 0 "[ . 1 . ]" 1
25 1 11 PHE H 1 11 PHE QD . . 4.000 2.793 2.548 2.904 . 0 0 "[ . 1 . ]" 1
26 1 18 TYR H 1 18 TYR QD . . 4.000 2.528 2.486 2.577 . 0 0 "[ . 1 . ]" 1
27 1 18 TYR H 1 18 TYR QE . . 5.000 4.473 4.458 4.490 . 0 0 "[ . 1 . ]" 1
28 1 18 TYR HB2 1 18 TYR QE . . 5.000 4.400 4.378 4.417 . 0 0 "[ . 1 . ]" 1
29 1 19 TYR H 1 19 TYR QD . . 4.000 3.577 3.500 3.647 . 0 0 "[ . 1 . ]" 1
30 1 20 PHE HA 1 20 PHE QD . . 4.000 2.945 2.808 3.042 . 0 0 "[ . 1 . ]" 1
31 1 20 PHE H 1 20 PHE QD . . 5.000 4.256 4.217 4.286 . 0 0 "[ . 1 . ]" 1
32 1 29 PHE H 1 29 PHE QD . . 4.000 2.834 2.645 3.016 . 0 0 "[ . 1 . ]" 1
33 1 5 GLY H 1 6 TRP H . . 4.000 2.930 2.736 3.085 . 0 0 "[ . 1 . ]" 1
34 1 7 GLU H 1 8 LYS H . . 5.000 4.433 4.274 4.484 . 0 0 "[ . 1 . ]" 1
35 1 9 ARG H 1 10 MET H . . 5.000 4.479 4.412 4.536 . 0 0 "[ . 1 . ]" 1
36 1 14 ASN H 1 15 GLY H . . 5.000 1.946 1.853 2.004 . 0 0 "[ . 1 . ]" 1
37 1 15 GLY H 1 16 THR H . . 4.000 2.443 2.365 2.539 . 0 0 "[ . 1 . ]" 1
38 1 16 THR H 1 17 VAL H . . 5.000 4.659 4.623 4.698 . 0 0 "[ . 1 . ]" 1
39 1 18 TYR H 1 19 TYR H . . 5.000 4.326 4.264 4.366 . 0 0 "[ . 1 . ]" 1
40 1 20 PHE H 1 21 ASN H . . 4.500 4.306 4.231 4.347 . 0 0 "[ . 1 . ]" 1
41 1 22 HIS H 1 23 ILE H . . 4.000 2.762 2.635 3.035 . 0 0 "[ . 1 . ]" 1
42 1 23 ILE H 1 24 THR H . . 3.000 2.248 2.091 2.429 . 0 0 "[ . 1 . ]" 1
43 1 24 THR H 1 25 ASN H . . 3.000 2.193 2.067 2.440 . 0 0 "[ . 1 . ]" 1
44 1 25 ASN H 1 26 ALA H . . 4.000 2.545 2.502 2.722 . 0 0 "[ . 1 . ]" 1
45 1 27 SER H 1 28 GLN H . . 5.000 4.342 4.272 4.409 . 0 0 "[ . 1 . ]" 1
46 1 29 PHE H 1 30 GLU H . . 4.000 2.331 1.967 2.669 . 0 0 "[ . 1 . ]" 1
47 1 30 GLU H 1 31 ARG H . . 5.000 4.524 3.657 4.645 . 0 0 "[ . 1 . ]" 1
48 1 33 SER H 1 34 GLY H . . 4.000 3.342 2.215 4.106 0.106 5 0 "[ . 1 . ]" 1
49 1 6 TRP HA 1 7 GLU H . . 3.000 2.121 2.035 2.221 . 0 0 "[ . 1 . ]" 1
50 1 7 GLU HA 1 8 LYS H . . 3.000 2.345 2.248 2.479 . 0 0 "[ . 1 . ]" 1
51 1 9 ARG HA 1 10 MET H . . 3.000 2.379 2.326 2.443 . 0 0 "[ . 1 . ]" 1
52 1 14 ASN HA 1 15 GLY H . . 4.000 3.529 3.498 3.555 . 0 0 "[ . 1 . ]" 1
53 1 15 GLY HA2 1 16 THR H . . 4.000 3.244 3.192 3.292 . 0 0 "[ . 1 . ]" 1
54 1 15 GLY HA3 1 16 THR H . . 4.000 3.397 3.349 3.461 . 0 0 "[ . 1 . ]" 1
55 1 17 VAL HA 1 18 TYR H . . 3.000 2.204 2.171 2.240 . 0 0 "[ . 1 . ]" 1
56 1 20 PHE HA 1 21 ASN H . . 3.000 2.161 2.127 2.195 . 0 0 "[ . 1 . ]" 1
57 1 21 ASN HA 1 22 HIS H . . 3.000 2.251 2.202 2.301 . 0 0 "[ . 1 . ]" 1
58 1 23 ILE HA 1 24 THR H . . 4.000 3.548 3.468 3.601 . 0 0 "[ . 1 . ]" 1
59 1 25 ASN HA 1 26 ALA H . . 4.000 3.225 3.173 3.247 . 0 0 "[ . 1 . ]" 1
60 1 26 ALA HA 1 27 SER H . . 4.000 2.427 2.384 2.480 . 0 0 "[ . 1 . ]" 1
61 1 27 SER HA 1 28 GLN H . . 3.000 2.211 2.151 2.249 . 0 0 "[ . 1 . ]" 1
62 1 28 GLN HA 1 29 PHE H . . 4.000 2.385 2.244 2.525 . 0 0 "[ . 1 . ]" 1
63 1 29 PHE HA 1 30 GLU H . . 4.000 3.523 3.436 3.649 . 0 0 "[ . 1 . ]" 1
64 1 30 GLU HA 1 31 ARG H . . 3.000 2.206 1.932 2.341 . 0 0 "[ . 1 . ]" 1
65 1 32 PRO HA 1 33 SER H . . 3.500 3.086 2.048 3.561 0.061 10 0 "[ . 1 . ]" 1
66 1 4 PRO HB2 1 5 GLY H . . 4.000 3.730 3.319 4.183 0.183 2 0 "[ . 1 . ]" 1
67 1 4 PRO HB3 1 5 GLY H . . 4.000 3.607 3.368 4.009 0.009 6 0 "[ . 1 . ]" 1
68 1 6 TRP HB2 1 7 GLU H . . 4.000 4.129 4.079 4.240 0.240 14 0 "[ . 1 . ]" 1
69 1 6 TRP HB3 1 7 GLU H . . 4.500 3.105 2.922 3.388 . 0 0 "[ . 1 . ]" 1
70 1 8 LYS HB2 1 9 ARG H . . 4.000 4.033 3.826 4.116 0.116 5 0 "[ . 1 . ]" 1
71 1 8 LYS HB3 1 9 ARG H . . 4.500 4.054 3.797 4.396 . 0 0 "[ . 1 . ]" 1
72 1 17 VAL HB 1 18 TYR H . . 4.000 4.029 4.012 4.040 0.040 2 0 "[ . 1 . ]" 1
73 1 19 TYR HB2 1 20 PHE H . . 4.200 4.133 4.015 4.245 0.045 14 0 "[ . 1 . ]" 1
74 1 19 TYR HB3 1 20 PHE H . . 4.000 2.912 2.737 3.133 . 0 0 "[ . 1 . ]" 1
75 1 20 PHE HB3 1 21 ASN H . . 4.500 4.206 4.073 4.243 . 0 0 "[ . 1 . ]" 1
76 1 20 PHE HB2 1 21 ASN H . . 4.500 4.283 4.239 4.315 . 0 0 "[ . 1 . ]" 1
77 1 23 ILE HB 1 24 THR H . . 3.000 3.025 3.004 3.057 0.057 3 0 "[ . 1 . ]" 1
78 1 24 THR HB 1 25 ASN H . . 4.000 3.996 3.903 4.103 0.103 12 0 "[ . 1 . ]" 1
79 1 25 ASN HB2 1 26 ALA H . . 4.000 4.007 3.948 4.165 0.165 17 0 "[ . 1 . ]" 1
80 1 25 ASN HB3 1 26 ALA H . . 5.500 4.487 3.702 4.582 . 0 0 "[ . 1 . ]" 1
81 1 26 ALA MB 1 27 SER H . . 4.000 2.492 2.397 2.634 . 0 0 "[ . 1 . ]" 1
82 1 27 SER HB2 1 28 GLN H . . 4.000 2.933 2.697 3.029 . 0 0 "[ . 1 . ]" 1
83 1 27 SER HB3 1 28 GLN H . . 4.000 3.895 3.684 4.003 0.003 6 0 "[ . 1 . ]" 1
84 1 30 GLU HB2 1 31 ARG H . . 4.000 3.990 2.717 4.234 0.234 2 0 "[ . 1 . ]" 1
85 1 30 GLU HB3 1 31 ARG H . . 4.000 3.529 3.042 4.039 0.039 10 0 "[ . 1 . ]" 1
86 1 32 PRO HB3 1 33 SER H . . 4.000 3.519 2.248 4.047 0.047 1 0 "[ . 1 . ]" 1
87 1 32 PRO HB2 1 33 SER H . . 4.000 2.977 2.344 4.076 0.076 11 0 "[ . 1 . ]" 1
88 1 7 GLU HB2 1 8 LYS H . . 4.500 4.088 2.904 4.361 . 0 0 "[ . 1 . ]" 1
89 1 7 GLU HG2 1 8 LYS H . . 4.000 2.878 2.530 3.976 . 0 0 "[ . 1 . ]" 1
90 1 7 GLU HG3 1 8 LYS H . . 4.000 3.461 2.652 4.050 0.050 11 0 "[ . 1 . ]" 1
91 1 8 LYS HG2 1 9 ARG H . . 4.000 2.554 2.364 2.845 . 0 0 "[ . 1 . ]" 1
92 1 10 MET HG2 1 11 PHE H . . 4.000 2.562 2.391 2.772 . 0 0 "[ . 1 . ]" 1
93 1 10 MET HG3 1 11 PHE H . . 4.000 3.276 3.099 3.595 . 0 0 "[ . 1 . ]" 1
94 1 17 VAL MG1 1 18 TYR H . . 4.000 2.248 2.220 2.320 . 0 0 "[ . 1 . ]" 1
95 1 17 VAL MG2 1 18 TYR H . . 5.000 3.489 3.386 3.568 . 0 0 "[ . 1 . ]" 1
96 1 18 TYR QD 1 19 TYR H . . 4.000 2.720 2.563 2.834 . 0 0 "[ . 1 . ]" 1
97 1 18 TYR QE 1 19 TYR H . . 5.500 4.781 4.599 4.931 . 0 0 "[ . 1 . ]" 1
98 1 19 TYR QD 1 20 PHE H . . 4.200 3.456 2.887 3.701 . 0 0 "[ . 1 . ]" 1
99 1 24 THR MG 1 25 ASN H . . 5.000 4.044 4.012 4.085 . 0 0 "[ . 1 . ]" 1
100 1 23 ILE H 1 24 THR MG . . 5.000 4.080 4.012 4.141 . 0 0 "[ . 1 . ]" 1
101 1 9 ARG H 1 18 TYR H . . 4.000 2.899 2.764 3.046 . 0 0 "[ . 1 . ]" 1
102 1 9 ARG H 1 19 TYR HA . . 4.000 2.829 2.503 3.095 . 0 0 "[ . 1 . ]" 1
103 1 9 ARG H 1 20 PHE H . . 5.000 4.414 4.158 4.551 . 0 0 "[ . 1 . ]" 1
104 1 10 MET HA 1 18 TYR H . . 4.000 3.462 3.366 3.583 . 0 0 "[ . 1 . ]" 1
105 1 11 PHE H 1 16 THR H . . 4.000 3.778 3.633 3.923 . 0 0 "[ . 1 . ]" 1
106 1 11 PHE H 1 17 VAL HA . . 4.000 3.314 3.210 3.398 . 0 0 "[ . 1 . ]" 1
107 1 11 PHE H 1 18 TYR H . . 5.000 4.926 4.763 5.024 0.024 4 0 "[ . 1 . ]" 1
108 1 23 ILE H 1 25 ASN H . . 4.000 3.498 3.109 3.722 . 0 0 "[ . 1 . ]" 1
109 1 8 LYS HG2 1 18 TYR H . . 4.000 4.012 3.635 4.102 0.102 12 0 "[ . 1 . ]" 1
110 1 9 ARG QB 1 18 TYR H . . 5.000 3.597 3.513 3.807 . 0 0 "[ . 1 . ]" 1
111 1 9 ARG QB 1 19 TYR HA . . 5.000 2.936 2.769 3.660 . 0 0 "[ . 1 . ]" 1
112 1 10 MET HG2 1 15 GLY HA2 . . 4.500 2.935 2.707 3.196 . 0 0 "[ . 1 . ]" 1
113 1 10 MET HG2 1 15 GLY HA3 . . 5.000 4.566 4.314 4.861 . 0 0 "[ . 1 . ]" 1
114 1 10 MET HG3 1 15 GLY HA3 . . 5.000 4.986 4.810 5.055 0.055 9 0 "[ . 1 . ]" 1
115 1 10 MET HG2 1 17 VAL HA . . 4.200 4.252 4.207 4.283 0.083 9 0 "[ . 1 . ]" 1
116 1 10 MET HG3 1 17 VAL HA . . 4.000 3.318 3.032 3.613 . 0 0 "[ . 1 . ]" 1
117 1 11 PHE HB3 1 15 GLY H . . 4.000 3.947 3.677 4.012 0.012 10 0 "[ . 1 . ]" 1
118 1 11 PHE HB2 1 15 GLY H . . 3.500 3.444 3.232 3.506 0.006 4 0 "[ . 1 . ]" 1
119 1 11 PHE HB3 1 16 THR H . . 4.000 3.896 3.725 3.992 . 0 0 "[ . 1 . ]" 1
120 1 11 PHE HB2 1 16 THR H . . 4.000 2.631 2.522 2.722 . 0 0 "[ . 1 . ]" 1
121 1 11 PHE QD 1 17 VAL HA . . 5.000 3.656 3.452 3.709 . 0 0 "[ . 1 . ]" 1
122 1 11 PHE QD 1 17 VAL H . . 3.700 3.408 3.398 3.421 . 0 0 "[ . 1 . ]" 1
123 1 11 PHE H 1 16 THR MG . . 5.000 4.222 4.199 4.246 . 0 0 "[ . 1 . ]" 1
124 1 9 ARG H 1 17 VAL MG1 . . 5.000 3.171 3.039 3.299 . 0 0 "[ . 1 . ]" 1
125 1 9 ARG H 1 17 VAL MG2 . . 5.500 4.617 4.605 4.629 . 0 0 "[ . 1 . ]" 1
126 1 10 MET HA 1 17 VAL MG1 . . 5.000 3.911 3.784 4.016 . 0 0 "[ . 1 . ]" 1
127 1 11 PHE H 1 17 VAL MG2 . . 5.700 3.949 3.866 4.009 . 0 0 "[ . 1 . ]" 1
128 1 9 ARG H 1 18 TYR QD . . 5.000 4.421 4.246 4.494 . 0 0 "[ . 1 . ]" 1
129 1 9 ARG H 1 18 TYR QE . . 6.000 5.283 5.128 5.360 . 0 0 "[ . 1 . ]" 1
130 1 10 MET HA 1 18 TYR QD . . 4.000 3.047 2.883 3.150 . 0 0 "[ . 1 . ]" 1
131 1 10 MET HA 1 18 TYR QE . . 4.000 3.470 3.362 3.569 . 0 0 "[ . 1 . ]" 1
132 1 10 MET H 1 18 TYR QD . . 5.000 4.393 4.265 4.463 . 0 0 "[ . 1 . ]" 1
133 1 10 MET H 1 18 TYR QE . . 4.000 3.434 3.267 3.577 . 0 0 "[ . 1 . ]" 1
134 1 11 PHE H 1 18 TYR QD . . 4.000 3.500 3.305 3.579 . 0 0 "[ . 1 . ]" 1
135 1 11 PHE H 1 18 TYR QE . . 4.000 3.488 3.286 3.577 . 0 0 "[ . 1 . ]" 1
136 1 18 TYR QD 1 20 PHE HA . . 5.000 4.402 4.341 4.480 . 0 0 "[ . 1 . ]" 1
137 1 18 TYR QD 1 27 SER HA . . 4.000 3.583 3.497 3.628 . 0 0 "[ . 1 . ]" 1
138 1 18 TYR QD 1 28 GLN H . . 4.000 2.938 2.727 3.156 . 0 0 "[ . 1 . ]" 1
139 1 7 GLU H 1 20 PHE HB3 . . 4.000 3.883 3.794 3.987 . 0 0 "[ . 1 . ]" 1
140 1 7 GLU H 1 20 PHE HB2 . . 5.000 5.086 5.032 5.175 0.175 14 0 "[ . 1 . ]" 1
141 1 20 PHE QE 1 22 HIS HA . . 4.000 2.184 2.018 2.272 . 0 0 "[ . 1 . ]" 1
142 1 20 PHE HZ 1 22 HIS HA . . 4.200 4.214 4.104 4.331 0.131 14 0 "[ . 1 . ]" 1
143 1 20 PHE QD 1 22 HIS HA . . 4.000 3.008 2.175 3.219 . 0 0 "[ . 1 . ]" 1
144 1 20 PHE QE 1 25 ASN H . . 5.000 4.388 3.951 4.472 . 0 0 "[ . 1 . ]" 1
145 1 20 PHE HZ 1 25 ASN H . . 5.000 4.858 4.685 5.017 0.017 15 0 "[ . 1 . ]" 1
146 1 20 PHE HB2 1 27 SER HA . . 4.000 4.035 4.006 4.072 0.072 2 0 "[ . 1 . ]" 1
147 1 6 TRP HA 1 22 HIS HD2 . . 5.000 4.739 3.595 5.039 0.039 15 0 "[ . 1 . ]" 1
148 1 7 GLU HA 1 22 HIS HD2 . . 5.000 4.866 4.491 5.019 0.019 2 0 "[ . 1 . ]" 1
149 1 19 TYR H 1 27 SER HB2 . . 5.000 4.571 4.416 4.789 . 0 0 "[ . 1 . ]" 1
150 1 19 TYR H 1 27 SER HB3 . . 5.500 5.582 5.534 5.613 0.113 15 0 "[ . 1 . ]" 1
151 1 20 PHE HA 1 27 SER HB2 . . 5.000 4.165 4.080 4.281 . 0 0 "[ . 1 . ]" 1
152 1 20 PHE HA 1 27 SER HB3 . . 5.000 3.414 3.083 3.629 . 0 0 "[ . 1 . ]" 1
153 1 24 THR MG 1 26 ALA H . . 5.000 4.154 4.092 4.176 . 0 0 "[ . 1 . ]" 1
154 1 19 TYR H 1 29 PHE QD . . 4.500 3.980 3.835 4.045 . 0 0 "[ . 1 . ]" 1
155 1 7 GLU HG2 1 22 HIS HD2 . . 5.000 4.403 3.966 5.011 0.011 14 0 "[ . 1 . ]" 1
156 1 7 GLU HG3 1 22 HIS HD2 . . 5.000 4.070 3.333 4.777 . 0 0 "[ . 1 . ]" 1
157 1 9 ARG QB 1 18 TYR QD . . 5.000 3.218 3.097 3.386 . 0 0 "[ . 1 . ]" 1
158 1 9 ARG QB 1 18 TYR QE . . 5.000 3.149 3.029 3.287 . 0 0 "[ . 1 . ]" 1
159 1 9 ARG HG2 1 18 TYR QD . . 5.000 4.500 4.464 4.520 . 0 0 "[ . 1 . ]" 1
160 1 9 ARG HG2 1 18 TYR QE . . 4.000 3.272 3.183 3.331 . 0 0 "[ . 1 . ]" 1
161 1 9 ARG HG3 1 18 TYR QE . . 5.000 2.954 2.500 3.676 . 0 0 "[ . 1 . ]" 1
162 1 9 ARG QB 1 20 PHE QD . . 5.300 4.016 3.528 4.156 . 0 0 "[ . 1 . ]" 1
163 1 9 ARG HG2 1 20 PHE QD . . 4.000 3.436 3.368 3.490 . 0 0 "[ . 1 . ]" 1
164 1 9 ARG HG3 1 20 PHE QD . . 5.500 4.936 4.905 4.969 . 0 0 "[ . 1 . ]" 1
165 1 11 PHE QD 1 16 THR MG . . 5.000 2.119 2.068 2.279 . 0 0 "[ . 1 . ]" 1
166 1 11 PHE HZ 1 16 THR MG . . 5.600 4.672 4.479 4.700 . 0 0 "[ . 1 . ]" 1
167 1 11 PHE QE 1 16 THR MG . . 5.000 2.681 2.627 2.832 . 0 0 "[ . 1 . ]" 1
168 1 11 PHE QE 1 18 TYR QE . . 4.500 3.584 3.573 3.610 . 0 0 "[ . 1 . ]" 1
169 1 11 PHE HZ 1 18 TYR QE . . 5.000 3.911 3.776 4.126 . 0 0 "[ . 1 . ]" 1
170 1 11 PHE QE 1 29 PHE QD . . 5.000 3.789 3.634 3.899 . 0 0 "[ . 1 . ]" 1
171 1 16 THR MG 1 18 TYR QD . . 5.200 3.877 3.863 3.891 . 0 0 "[ . 1 . ]" 1
172 1 16 THR MG 1 29 PHE QD . . 5.000 3.722 3.716 3.731 . 0 0 "[ . 1 . ]" 1
173 1 18 TYR QE 1 20 PHE HB2 . . 4.000 3.327 3.214 3.598 . 0 0 "[ . 1 . ]" 1
174 1 18 TYR QD 1 27 SER HB2 . . 4.000 2.331 2.235 2.429 . 0 0 "[ . 1 . ]" 1
175 1 18 TYR QE 1 27 SER HB3 . . 4.000 2.381 2.271 2.511 . 0 0 "[ . 1 . ]" 1
176 1 18 TYR QE 1 27 SER HB2 . . 5.000 2.524 2.389 2.690 . 0 0 "[ . 1 . ]" 1
177 1 18 TYR QD 1 29 PHE QD . . 4.000 3.238 3.201 3.257 . 0 0 "[ . 1 . ]" 1
178 1 18 TYR HB2 1 29 PHE QD . . 4.000 2.433 2.271 2.542 . 0 0 "[ . 1 . ]" 1
179 1 18 TYR HB3 1 29 PHE QD . . 4.000 3.093 2.865 3.331 . 0 0 "[ . 1 . ]" 1
180 1 20 PHE QD 1 22 HIS HB3 . . 4.000 2.580 2.360 3.611 . 0 0 "[ . 1 . ]" 1
181 1 20 PHE QD 1 22 HIS HB2 . . 4.500 4.012 3.893 4.044 . 0 0 "[ . 1 . ]" 1
182 1 20 PHE QD 1 27 SER HB2 . . 4.500 3.860 3.424 4.018 . 0 0 "[ . 1 . ]" 1
183 1 20 PHE QD 1 27 SER HB3 . . 4.000 2.408 2.121 2.611 . 0 0 "[ . 1 . ]" 1
184 1 6 TRP HA 1 21 ASN H . . 5.000 4.110 3.840 4.428 . 0 0 "[ . 1 . ]" 1
185 1 6 TRP HA 1 21 ASN HA . . 4.000 2.029 1.951 2.263 . 0 0 "[ . 1 . ]" 1
186 1 6 TRP HA 1 22 HIS H . . 4.000 3.487 3.306 3.597 . 0 0 "[ . 1 . ]" 1
187 1 7 GLU H 1 20 PHE H . . 4.000 2.607 2.504 2.874 . 0 0 "[ . 1 . ]" 1
188 1 7 GLU H 1 21 ASN HA . . 4.000 3.411 3.271 3.487 . 0 0 "[ . 1 . ]" 1
189 1 7 GLU H 1 22 HIS H . . 4.000 3.905 3.626 4.025 0.025 6 0 "[ . 1 . ]" 1
190 1 8 LYS HA 1 19 TYR HA . . 4.000 2.461 2.367 2.582 . 0 0 "[ . 1 . ]" 1
191 1 8 LYS HA 1 20 PHE H . . 4.000 3.858 3.667 3.990 . 0 0 "[ . 1 . ]" 1
192 1 18 TYR HA 1 28 GLN H . . 5.500 5.518 5.373 5.597 0.097 14 0 "[ . 1 . ]" 1
193 1 19 TYR H 1 27 SER HA . . 4.500 4.529 4.494 4.582 0.082 12 0 "[ . 1 . ]" 1
194 1 19 TYR H 1 28 GLN H . . 4.000 2.953 2.894 3.076 . 0 0 "[ . 1 . ]" 1
195 1 19 TYR HA 1 28 GLN H . . 5.000 4.839 4.781 4.889 . 0 0 "[ . 1 . ]" 1
196 1 20 PHE H 1 27 SER HA . . 5.000 4.744 4.672 4.794 . 0 0 "[ . 1 . ]" 1
197 1 20 PHE HA 1 27 SER HA . . 4.000 2.268 2.220 2.319 . 0 0 "[ . 1 . ]" 1
198 1 20 PHE HA 1 28 GLN H . . 4.000 3.693 3.623 3.748 . 0 0 "[ . 1 . ]" 1
199 1 21 ASN H 1 25 ASN HA . . 4.500 4.476 4.284 4.531 0.031 15 0 "[ . 1 . ]" 1
200 1 21 ASN H 1 26 ALA H . . 4.000 3.699 3.621 3.848 . 0 0 "[ . 1 . ]" 1
201 1 21 ASN H 1 27 SER HA . . 4.000 3.355 3.257 3.430 . 0 0 "[ . 1 . ]" 1
202 1 21 ASN H 1 28 GLN H . . 5.000 5.033 5.018 5.046 0.046 11 0 "[ . 1 . ]" 1
203 1 21 ASN HA 1 23 ILE H . . 4.000 3.437 3.380 3.619 . 0 0 "[ . 1 . ]" 1
204 1 22 HIS H 1 24 THR H . . 5.000 4.503 4.428 4.886 . 0 0 "[ . 1 . ]" 1
205 1 23 ILE HA 1 25 ASN H . . 5.000 4.703 4.551 4.800 . 0 0 "[ . 1 . ]" 1
206 1 28 GLN HA 1 30 GLU H . . 5.000 4.094 3.758 4.637 . 0 0 "[ . 1 . ]" 1
207 1 2 LEU HB2 1 6 TRP H . . 5.000 5.086 4.412 5.226 0.226 15 0 "[ . 1 . ]" 1
208 1 2 LEU HB3 1 6 TRP H . . 6.000 5.816 4.779 6.046 0.046 9 0 "[ . 1 . ]" 1
209 1 3 PRO HA 1 6 TRP HE1 . . 5.600 5.588 5.052 5.689 0.089 2 0 "[ . 1 . ]" 1
210 1 6 TRP HE1 1 32 PRO HA . . 6.000 6.116 6.015 6.223 0.223 10 0 "[ . 1 . ]" 1
211 1 8 LYS H 1 19 TYR QD . . 4.500 3.995 3.848 4.062 . 0 0 "[ . 1 . ]" 1
212 1 8 LYS H 1 19 TYR QE . . 4.000 3.316 3.080 3.553 . 0 0 "[ . 1 . ]" 1
213 1 9 ARG H 1 19 TYR QD . . 4.500 3.964 3.815 4.081 . 0 0 "[ . 1 . ]" 1
214 1 9 ARG H 1 19 TYR QE . . 5.500 4.764 4.584 4.916 . 0 0 "[ . 1 . ]" 1
215 1 19 TYR HB3 1 28 GLN H . . 5.000 4.169 3.861 4.386 . 0 0 "[ . 1 . ]" 1
216 1 6 TRP HA 1 21 ASN HB2 . . 4.000 3.497 3.351 3.814 . 0 0 "[ . 1 . ]" 1
217 1 21 ASN HB2 1 26 ALA H . . 4.000 3.913 3.703 4.085 0.085 2 0 "[ . 1 . ]" 1
218 1 21 ASN HB3 1 26 ALA H . . 4.000 2.331 2.223 2.413 . 0 0 "[ . 1 . ]" 1
219 1 4 PRO HA 1 23 ILE MD . . 6.000 4.579 2.920 5.021 . 0 0 "[ . 1 . ]" 1
220 1 5 GLY H 1 23 ILE MD . . 5.000 3.495 2.726 3.737 . 0 0 "[ . 1 . ]" 1
221 1 5 GLY HA2 1 23 ILE MG . . 5.000 4.240 4.229 4.258 . 0 0 "[ . 1 . ]" 1
222 1 5 GLY HA3 1 23 ILE MG . . 5.000 3.625 3.433 3.850 . 0 0 "[ . 1 . ]" 1
223 1 5 GLY HA2 1 23 ILE MD . . 5.000 2.412 2.201 2.798 . 0 0 "[ . 1 . ]" 1
224 1 5 GLY HA3 1 23 ILE MD . . 5.000 2.561 2.213 3.303 . 0 0 "[ . 1 . ]" 1
225 1 23 ILE MG 1 25 ASN H . . 6.000 5.005 4.578 5.050 . 0 0 "[ . 1 . ]" 1
226 1 24 THR HB 1 26 ALA H . . 4.000 3.503 3.363 3.653 . 0 0 "[ . 1 . ]" 1
227 1 20 PHE HA 1 26 ALA MB . . 5.500 4.593 4.523 4.607 . 0 0 "[ . 1 . ]" 1
228 1 21 ASN H 1 26 ALA MB . . 5.000 3.271 3.198 3.296 . 0 0 "[ . 1 . ]" 1
229 1 28 GLN QG 1 30 GLU H . . 5.000 2.887 1.846 4.471 . 0 0 "[ . 1 . ]" 1
230 1 2 LEU HA 1 32 PRO HG2 . . 5.000 5.168 5.032 5.517 0.517 11 1 "[ . 1+ . ]" 1
231 1 2 LEU HB2 1 6 TRP HB3 . . 4.500 4.148 2.497 4.541 0.041 11 0 "[ . 1 . ]" 1
232 1 2 LEU MD2 1 6 TRP HB3 . . 6.000 4.869 2.458 5.177 . 0 0 "[ . 1 . ]" 1
233 1 2 LEU MD1 1 6 TRP HD1 . . 5.500 4.613 3.655 4.719 . 0 0 "[ . 1 . ]" 1
234 1 2 LEU MD2 1 32 PRO HG3 . . 5.200 2.868 1.953 4.414 . 0 0 "[ . 1 . ]" 1
235 1 2 LEU MD2 1 32 PRO HG2 . . 5.200 3.285 2.824 3.632 . 0 0 "[ . 1 . ]" 1
236 1 3 PRO HB2 1 6 TRP HD1 . . 4.000 3.012 2.187 3.363 . 0 0 "[ . 1 . ]" 1
237 1 3 PRO HG3 1 6 TRP HD1 . . 5.000 4.775 4.214 4.958 . 0 0 "[ . 1 . ]" 1
238 1 3 PRO HB2 1 6 TRP HE1 . . 5.000 3.734 2.699 4.114 . 0 0 "[ . 1 . ]" 1
239 1 3 PRO HG2 1 6 TRP HE1 . . 5.000 3.717 2.507 3.958 . 0 0 "[ . 1 . ]" 1
240 1 3 PRO HG2 1 6 TRP HD1 . . 4.500 4.225 3.133 4.506 0.006 1 0 "[ . 1 . ]" 1
241 1 3 PRO HB3 1 6 TRP HE1 . . 5.500 5.260 4.147 5.538 0.038 3 0 "[ . 1 . ]" 1
242 1 3 PRO HD2 1 6 TRP HE1 . . 5.500 2.154 1.846 3.676 . 0 0 "[ . 1 . ]" 1
243 1 3 PRO HD3 1 6 TRP HE1 . . 5.000 3.445 2.916 5.093 0.093 2 0 "[ . 1 . ]" 1
244 1 3 PRO HB2 1 32 PRO HG2 . . 6.000 6.046 5.645 6.154 0.154 4 0 "[ . 1 . ]" 1
245 1 3 PRO HD2 1 32 PRO HG3 . . 5.500 4.582 3.139 4.939 . 0 0 "[ . 1 . ]" 1
246 1 3 PRO HD3 1 32 PRO HG3 . . 5.000 5.103 4.608 5.269 0.269 13 0 "[ . 1 . ]" 1
247 1 3 PRO HD2 1 32 PRO HG2 . . 4.500 4.432 3.380 4.708 0.208 4 0 "[ . 1 . ]" 1
248 1 3 PRO HD3 1 32 PRO HG2 . . 5.500 5.356 4.386 5.543 0.043 4 0 "[ . 1 . ]" 1
249 1 3 PRO HD2 1 32 PRO HB3 . . 4.500 4.318 2.321 4.621 0.121 15 0 "[ . 1 . ]" 1
250 1 3 PRO HD3 1 32 PRO HB3 . . 5.000 4.742 2.546 5.141 0.141 11 0 "[ . 1 . ]" 1
251 1 6 TRP HB2 1 19 TYR QE . . 5.600 4.584 3.916 4.999 . 0 0 "[ . 1 . ]" 1
252 1 6 TRP HB3 1 19 TYR QE . . 5.000 4.051 3.010 4.474 . 0 0 "[ . 1 . ]" 1
253 1 6 TRP HE3 1 21 ASN HB2 . . 4.000 3.401 3.225 3.695 . 0 0 "[ . 1 . ]" 1
254 1 6 TRP HZ3 1 21 ASN HB2 . . 5.000 3.892 3.697 4.062 . 0 0 "[ . 1 . ]" 1
255 1 6 TRP HE1 1 21 ASN HB2 . . 5.000 4.473 4.157 5.075 0.075 2 0 "[ . 1 . ]" 1
256 1 6 TRP HZ3 1 26 ALA MB . . 5.000 3.797 3.521 4.193 . 0 0 "[ . 1 . ]" 1
257 1 6 TRP HB2 1 32 PRO HG3 . . 4.000 4.021 3.892 4.190 0.190 11 0 "[ . 1 . ]" 1
258 1 6 TRP HZ3 1 32 PRO HG3 . . 6.000 5.919 5.084 6.138 0.138 10 0 "[ . 1 . ]" 1
259 1 6 TRP HB2 1 32 PRO HG2 . . 5.000 2.713 2.418 3.625 . 0 0 "[ . 1 . ]" 1
260 1 6 TRP HB3 1 32 PRO HG2 . . 5.000 2.335 2.156 3.011 . 0 0 "[ . 1 . ]" 1
261 1 6 TRP HZ3 1 32 PRO HG2 . . 5.600 5.237 4.836 5.724 0.124 14 0 "[ . 1 . ]" 1
262 1 6 TRP HE1 1 32 PRO HB3 . . 5.000 4.716 3.989 4.932 . 0 0 "[ . 1 . ]" 1
263 1 6 TRP HE1 1 32 PRO HB2 . . 6.000 5.746 4.853 6.072 0.072 5 0 "[ . 1 . ]" 1
264 1 6 TRP HD1 1 32 PRO HG3 . . 5.000 3.828 3.277 4.233 . 0 0 "[ . 1 . ]" 1
265 1 6 TRP HD1 1 32 PRO HG2 . . 5.000 3.142 2.737 4.052 . 0 0 "[ . 1 . ]" 1
266 1 6 TRP HE1 1 32 PRO HG3 . . 5.000 4.082 2.943 4.527 . 0 0 "[ . 1 . ]" 1
267 1 6 TRP HE1 1 32 PRO HG2 . . 5.000 3.969 3.540 5.043 0.043 6 0 "[ . 1 . ]" 1
268 1 19 TYR QE 1 31 ARG QD . . 5.000 3.919 3.481 4.045 . 0 0 "[ . 1 . ]" 1
269 1 19 TYR QE 1 31 ARG HG2 . . 4.000 2.359 2.017 3.315 . 0 0 "[ . 1 . ]" 1
270 1 19 TYR QE 1 31 ARG HG3 . . 4.000 3.042 2.331 3.602 . 0 0 "[ . 1 . ]" 1
271 1 19 TYR QE 1 31 ARG QB . . 5.000 2.976 2.372 3.841 . 0 0 "[ . 1 . ]" 1
272 1 19 TYR QD 1 31 ARG HG2 . . 4.000 3.363 2.536 3.627 . 0 0 "[ . 1 . ]" 1
273 1 19 TYR QD 1 31 ARG HG3 . . 4.000 2.981 2.237 3.601 . 0 0 "[ . 1 . ]" 1
274 1 19 TYR QD 1 31 ARG QB . . 5.000 3.583 2.147 4.031 . 0 0 "[ . 1 . ]" 1
275 1 19 TYR HB3 1 32 PRO HD3 . . 4.000 3.429 2.993 4.046 0.046 2 0 "[ . 1 . ]" 1
276 1 19 TYR HB3 1 32 PRO HD2 . . 5.000 2.862 2.376 3.645 . 0 0 "[ . 1 . ]" 1
277 1 21 ASN HB2 1 24 THR MG . . 5.600 4.560 4.389 4.695 . 0 0 "[ . 1 . ]" 1
278 1 21 ASN HB2 1 26 ALA MB . . 5.000 2.687 2.553 2.873 . 0 0 "[ . 1 . ]" 1
279 1 24 THR HB 1 26 ALA MB . . 5.000 3.615 3.337 3.776 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 78.673
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 3 PRO 2.184 0.185 11 0 "[ . 1 . ]"
1 5 GLY 0.004 0.004 10 0 "[ . 1 . ]"
1 6 TRP 2.184 0.185 11 0 "[ . 1 . ]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 11 PHE 0.543 0.079 12 0 "[ . 1 . ]"
1 14 ASN 1.598 0.087 3 0 "[ . 1 . ]"
1 15 GLY 1.055 0.087 3 0 "[ . 1 . ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ASN 0.647 0.096 14 0 "[ . 1 . ]"
1 22 HIS 0.004 0.004 10 0 "[ . 1 . ]"
1 23 ILE 0.647 0.096 14 0 "[ . 1 . ]"
1 24 THR 0.194 0.041 17 0 "[ . 1 . ]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 26 ALA 0.194 0.041 17 0 "[ . 1 . ]"
1 28 GLN 0.000 0.000 . 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 3 PRO O 1 6 TRP H . . 2.200 2.106 1.859 2.186 . 0 0 "[ . 1 . ]" 2
2 1 3 PRO O 1 6 TRP N . . 3.000 3.121 2.877 3.185 0.185 11 0 "[ . 1 . ]" 2
3 1 7 GLU H 1 20 PHE O . . 2.200 1.875 1.821 1.917 . 0 0 "[ . 1 . ]" 2
4 1 7 GLU N 1 20 PHE O . . 3.000 2.826 2.779 2.877 . 0 0 "[ . 1 . ]" 2
5 1 9 ARG H 1 18 TYR O . . 2.300 1.796 1.771 1.846 . 0 0 "[ . 1 . ]" 2
6 1 9 ARG N 1 18 TYR O . . 3.300 2.780 2.746 2.802 . 0 0 "[ . 1 . ]" 2
7 1 11 PHE H 1 16 THR O . . 2.000 1.773 1.762 1.795 . 0 0 "[ . 1 . ]" 2
8 1 11 PHE N 1 16 THR O . . 3.000 2.769 2.755 2.782 . 0 0 "[ . 1 . ]" 2
9 1 11 PHE O 1 14 ASN H . . 2.300 2.318 2.202 2.379 0.079 12 0 "[ . 1 . ]" 2
10 1 11 PHE O 1 14 ASN N . . 3.300 3.297 3.186 3.368 0.068 12 0 "[ . 1 . ]" 2
11 1 14 ASN OD1 1 15 GLY H . . 2.700 2.762 2.736 2.787 0.087 3 0 "[ . 1 . ]" 2
12 1 14 ASN OD1 1 15 GLY N . . 3.600 2.935 2.899 2.961 . 0 0 "[ . 1 . ]" 2
13 1 14 ASN OD1 1 16 THR H . . 2.600 1.846 1.787 1.942 . 0 0 "[ . 1 . ]" 2
14 1 14 ASN OD1 1 16 THR N . . 3.600 2.830 2.769 2.943 . 0 0 "[ . 1 . ]" 2
15 1 9 ARG O 1 18 TYR H . . 2.000 1.837 1.797 1.903 . 0 0 "[ . 1 . ]" 2
16 1 9 ARG O 1 18 TYR N . . 3.000 2.825 2.785 2.891 . 0 0 "[ . 1 . ]" 2
17 1 19 TYR H 1 28 GLN O . . 2.600 1.801 1.765 1.832 . 0 0 "[ . 1 . ]" 2
18 1 19 TYR N 1 28 GLN O . . 3.600 2.749 2.708 2.803 . 0 0 "[ . 1 . ]" 2
19 1 7 GLU O 1 20 PHE H . . 2.000 1.792 1.760 1.842 . 0 0 "[ . 1 . ]" 2
20 1 7 GLU O 1 20 PHE N . . 3.000 2.797 2.766 2.846 . 0 0 "[ . 1 . ]" 2
21 1 21 ASN H 1 26 ALA O . . 2.300 1.781 1.765 1.790 . 0 0 "[ . 1 . ]" 2
22 1 21 ASN N 1 26 ALA O . . 3.300 2.778 2.772 2.786 . 0 0 "[ . 1 . ]" 2
23 1 5 GLY O 1 22 HIS H . . 2.300 2.037 1.799 2.304 0.004 10 0 "[ . 1 . ]" 2
24 1 5 GLY O 1 22 HIS N . . 3.300 2.898 2.729 3.073 . 0 0 "[ . 1 . ]" 2
25 1 21 ASN OD1 1 23 ILE H . . 2.300 2.281 2.118 2.396 0.096 14 0 "[ . 1 . ]" 2
26 1 21 ASN OD1 1 23 ILE N . . 3.300 3.100 2.972 3.311 0.011 14 0 "[ . 1 . ]" 2
27 1 21 ASN OD1 1 24 THR H . . 2.300 1.922 1.780 2.013 . 0 0 "[ . 1 . ]" 2
28 1 21 ASN OD1 1 24 THR N . . 3.300 2.829 2.781 2.865 . 0 0 "[ . 1 . ]" 2
29 1 21 ASN O 1 25 ASN H . . 2.300 1.806 1.777 1.867 . 0 0 "[ . 1 . ]" 2
30 1 21 ASN O 1 25 ASN N . . 3.300 2.707 2.690 2.749 . 0 0 "[ . 1 . ]" 2
31 1 24 THR OG1 1 26 ALA H . . 2.300 2.303 2.234 2.341 0.041 17 0 "[ . 1 . ]" 2
32 1 24 THR OG1 1 26 ALA N . . 3.300 3.290 3.226 3.315 0.015 3 0 "[ . 1 . ]" 2
33 1 19 TYR O 1 28 GLN H . . 2.200 1.922 1.854 1.965 . 0 0 "[ . 1 . ]" 2
34 1 19 TYR O 1 28 GLN N . . 3.200 2.920 2.863 2.956 . 0 0 "[ . 1 . ]" 2
stop_
save_
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