NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628684 |
6cix   |
30415 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cix
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 114
_Distance_constraint_stats_list.Viol_count 140
_Distance_constraint_stats_list.Viol_total 410.814
_Distance_constraint_stats_list.Viol_max 0.636
_Distance_constraint_stats_list.Viol_rms 0.0459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.1467
_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 4 ARG 0.150 0.057 11 0 "[ . 1 . 2]"
1 5 ARG 1.633 0.379 8 0 "[ . 1 . 2]"
1 6 GLN 1.825 0.379 8 0 "[ . 1 . 2]"
1 7 LYS 5.960 0.344 11 0 "[ . 1 . 2]"
1 8 SER 3.850 0.636 19 2 "[ . 1 - . +2]"
1 9 MET 1.298 0.102 11 0 "[ . 1 . 2]"
1 10 THR 3.175 0.562 7 1 "[ . + 1 . 2]"
1 11 GLU 10.720 0.636 19 3 "[ . * 1 - . +2]"
1 12 PHE 4.304 0.607 19 1 "[ . 1 . +2]"
1 13 TYR 0.373 0.373 12 0 "[ . 1 . 2]"
1 14 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
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 10 THR H 1 11 GLU H 2.947 . 4.033 2.686 2.077 3.201 . 0 0 "[ . 1 . 2]" 1
2 1 11 GLU H 1 12 PHE H 2.973 . 4.078 2.574 2.309 3.130 . 0 0 "[ . 1 . 2]" 1
3 1 9 MET H 1 10 THR H 2.938 . 4.017 2.563 2.450 2.875 . 0 0 "[ . 1 . 2]" 1
4 1 12 PHE H 1 12 PHE QD 3.216 . 4.509 2.816 2.466 3.666 . 0 0 "[ . 1 . 2]" 1
5 1 10 THR MG 1 11 GLU H 3.724 . 5.458 4.233 3.219 4.423 . 0 0 "[ . 1 . 2]" 1
6 1 11 GLU HA 1 12 PHE H 2.369 . 3.071 3.240 2.943 3.337 0.266 20 0 "[ . 1 . 2]" 1
7 1 12 PHE HB2 1 12 PHE QE 3.482 . 4.997 4.384 4.370 4.399 . 0 0 "[ . 1 . 2]" 1
8 1 12 PHE HA 1 13 TYR H 2.822 . 3.817 2.504 2.137 3.563 . 0 0 "[ . 1 . 2]" 1
9 1 13 TYR HB3 1 13 TYR QD 2.918 . 3.982 2.388 2.280 2.573 . 0 0 "[ . 1 . 2]" 1
10 1 9 MET HA 1 10 THR H 2.634 . 3.501 3.347 3.005 3.531 0.030 7 0 "[ . 1 . 2]" 1
11 1 8 SER HA 1 10 THR H 3.125 . 4.345 3.531 3.315 4.062 . 0 0 "[ . 1 . 2]" 1
12 1 8 SER HB2 1 10 THR H 3.311 . 4.681 3.767 2.323 4.541 . 0 0 "[ . 1 . 2]" 1
13 1 8 SER HB3 1 10 THR H 3.402 . 4.849 3.226 2.650 4.299 . 0 0 "[ . 1 . 2]" 1
14 1 9 MET H 1 9 MET HA 2.762 . 3.716 2.847 2.811 2.874 . 0 0 "[ . 1 . 2]" 1
15 1 8 SER H 1 8 SER HA 2.762 . 3.716 2.841 2.766 2.946 . 0 0 "[ . 1 . 2]" 1
16 1 10 THR H 1 10 THR HB 2.717 . 3.640 3.166 2.480 3.580 . 0 0 "[ . 1 . 2]" 1
17 1 7 LYS H 1 7 LYS HG2 3.168 . 4.423 4.451 3.595 4.649 0.226 15 0 "[ . 1 . 2]" 1
18 1 7 LYS H 1 7 LYS HD3 3.226 . 4.527 4.572 2.128 4.871 0.344 11 0 "[ . 1 . 2]" 1
19 1 7 LYS H 1 7 LYS HA 2.697 . 3.606 2.845 2.795 2.897 . 0 0 "[ . 1 . 2]" 1
20 1 10 THR H 1 10 THR MG 2.838 . 3.845 3.062 2.207 3.767 . 0 0 "[ . 1 . 2]" 1
21 1 10 THR H 1 10 THR HA 2.569 . 3.394 2.865 2.840 2.886 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLU H 1 11 GLU HG3 2.595 . 3.437 3.136 2.877 3.477 0.040 20 0 "[ . 1 . 2]" 1
23 1 11 GLU H 1 11 GLU HG2 3.119 . 4.335 2.102 1.906 2.354 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLU H 1 11 GLU HA 2.686 . 3.588 2.851 2.830 2.870 . 0 0 "[ . 1 . 2]" 1
25 1 12 PHE H 1 12 PHE HB3 2.953 . 4.043 3.665 3.622 3.862 . 0 0 "[ . 1 . 2]" 1
26 1 12 PHE H 1 12 PHE HB2 2.566 . 3.389 2.512 2.416 2.800 . 0 0 "[ . 1 . 2]" 1
27 1 12 PHE H 1 12 PHE HA 2.780 . 3.746 2.910 2.894 2.923 . 0 0 "[ . 1 . 2]" 1
28 1 12 PHE HB3 1 12 PHE QD 2.638 . 3.508 2.489 2.389 2.632 . 0 0 "[ . 1 . 2]" 1
29 1 12 PHE HB2 1 12 PHE QD 2.297 . 2.956 2.315 2.263 2.378 . 0 0 "[ . 1 . 2]" 1
30 1 13 TYR H 1 13 TYR HB2 2.679 . 3.576 2.924 2.448 3.949 0.373 12 0 "[ . 1 . 2]" 1
31 1 13 TYR H 1 13 TYR HB3 2.940 . 4.021 3.277 2.475 3.710 . 0 0 "[ . 1 . 2]" 1
32 1 13 TYR H 1 13 TYR HA 2.841 . 3.850 2.786 2.257 2.887 . 0 0 "[ . 1 . 2]" 1
33 1 9 MET H 1 9 MET HB3 2.637 . 3.506 3.291 2.476 3.608 0.102 11 0 "[ . 1 . 2]" 1
34 1 8 SER H 1 8 SER HB3 2.767 . 3.724 3.262 2.525 3.615 . 0 0 "[ . 1 . 2]" 1
35 1 8 SER H 1 8 SER HB2 2.614 . 3.468 2.739 2.437 3.529 0.061 20 0 "[ . 1 . 2]" 1
36 1 6 GLN H 1 6 GLN HB3 3.034 . 4.184 2.958 2.459 3.719 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG H 1 5 ARG HB3 2.677 . 3.573 2.830 2.392 3.673 0.100 1 0 "[ . 1 . 2]" 1
38 1 9 MET HB3 1 9 MET HG3 2.949 . 4.036 2.803 2.405 3.012 . 0 0 "[ . 1 . 2]" 1
39 1 10 THR HA 1 11 GLU H 2.399 . 3.118 3.136 2.733 3.293 0.175 13 0 "[ . 1 . 2]" 1
40 1 13 TYR HA 1 14 HIS H 2.512 . 3.301 2.304 2.116 2.775 . 0 0 "[ . 1 . 2]" 1
41 1 8 SER HA 1 9 MET H 2.284 . 2.936 2.163 2.111 2.315 . 0 0 "[ . 1 . 2]" 1
42 1 10 THR HB 1 11 GLU H 3.124 . 4.344 4.087 3.479 4.536 0.192 15 0 "[ . 1 . 2]" 1
43 1 6 GLN HA 1 7 LYS H 2.017 . 2.526 2.211 2.131 2.499 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS HA 1 8 SER H 2.158 . 2.740 2.211 2.111 2.750 0.010 8 0 "[ . 1 . 2]" 1
45 1 13 TYR HB2 1 14 HIS H 3.512 . 5.054 4.260 3.355 4.634 . 0 0 "[ . 1 . 2]" 1
46 1 12 PHE HB3 1 13 TYR H 3.315 . 4.689 3.861 2.803 4.466 . 0 0 "[ . 1 . 2]" 1
47 1 12 PHE HB2 1 13 TYR H 3.518 . 5.065 4.096 2.274 4.499 . 0 0 "[ . 1 . 2]" 1
48 1 9 MET HB3 1 10 THR H 3.243 . 4.558 4.010 2.992 4.513 . 0 0 "[ . 1 . 2]" 1
49 1 9 MET HB2 1 10 THR H 3.543 . 5.112 3.520 2.491 4.416 . 0 0 "[ . 1 . 2]" 1
50 1 9 MET H 1 9 MET HB2 3.074 . 4.255 2.702 2.412 3.635 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLU HG2 1 12 PHE H 3.329 . 4.715 3.468 2.830 4.295 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLU HG3 1 12 PHE H 3.117 . 4.331 3.197 2.812 3.974 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLN HB2 1 7 LYS H 3.195 . 4.471 4.387 3.882 4.638 0.167 11 0 "[ . 1 . 2]" 1
54 1 5 ARG HB2 1 6 GLN H 3.051 . 4.214 3.928 2.380 4.593 0.379 8 0 "[ . 1 . 2]" 1
55 1 11 GLU HG2 1 12 PHE QD 3.256 . 4.581 3.696 3.075 5.188 0.607 19 1 "[ . 1 . +2]" 1
56 1 7 LYS HA 1 7 LYS HG3 3.200 . 4.480 2.897 2.608 4.251 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG HA 1 5 ARG HB3 2.508 . 3.294 2.831 2.383 3.029 . 0 0 "[ . 1 . 2]" 1
58 1 7 LYS HA 1 7 LYS HG2 3.727 . 5.464 3.432 2.949 3.790 . 0 0 "[ . 1 . 2]" 1
59 1 7 LYS HA 1 7 LYS HD2 3.206 . 4.491 3.265 1.969 4.498 0.007 17 0 "[ . 1 . 2]" 1
60 1 11 GLU HA 1 11 GLU HG2 3.498 . 5.027 3.772 3.694 3.836 . 0 0 "[ . 1 . 2]" 1
61 1 7 LYS HD2 1 7 LYS HE2 2.685 . 3.586 2.453 2.395 2.570 . 0 0 "[ . 1 . 2]" 1
62 1 7 LYS HD3 1 7 LYS HE2 2.784 . 3.753 2.712 2.328 3.022 . 0 0 "[ . 1 . 2]" 1
63 1 7 LYS HE3 1 7 LYS HG2 2.916 . 3.979 3.079 2.394 3.740 . 0 0 "[ . 1 . 2]" 1
64 1 7 LYS HE2 1 7 LYS HG2 3.184 . 4.451 3.361 2.932 3.747 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLN HA 1 6 GLN HB2 2.906 . 3.962 2.636 2.435 3.029 . 0 0 "[ . 1 . 2]" 1
66 1 11 GLU HA 1 11 GLU HG3 3.431 . 4.902 3.717 3.653 3.769 . 0 0 "[ . 1 . 2]" 1
67 1 9 MET HB2 1 9 MET HG2 2.709 . 3.626 2.804 2.411 3.011 . 0 0 "[ . 1 . 2]" 1
68 1 9 MET HB3 1 9 MET HG2 2.607 . 3.456 2.633 2.328 3.011 . 0 0 "[ . 1 . 2]" 1
69 1 7 LYS HD2 1 7 LYS HE3 2.544 . 3.353 2.730 2.421 3.015 . 0 0 "[ . 1 . 2]" 1
70 1 7 LYS HD3 1 7 LYS HE3 2.666 . 3.555 2.457 2.389 2.570 . 0 0 "[ . 1 . 2]" 1
71 1 7 LYS HE3 1 7 LYS HG3 3.380 . 4.808 3.378 2.741 3.765 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS HE2 1 7 LYS HG3 3.098 . 4.298 3.152 2.473 3.778 . 0 0 "[ . 1 . 2]" 1
73 1 13 TYR HB2 1 13 TYR QD 3.126 . 4.348 2.452 2.292 2.683 . 0 0 "[ . 1 . 2]" 1
74 1 7 LYS HD2 1 7 LYS HG3 2.418 . 3.149 2.429 2.372 2.529 . 0 0 "[ . 1 . 2]" 1
75 1 8 SER HB2 1 11 GLU H 3.402 . 4.848 4.169 3.457 5.484 0.636 19 2 "[ . 1 - . +2]" 1
76 1 6 GLN HB3 1 7 LYS H 3.475 . 4.984 4.099 2.772 4.480 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS H 1 7 LYS HD2 3.751 . 5.510 4.656 2.992 5.046 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS H 1 7 LYS HG3 3.384 . 4.815 4.462 4.373 4.556 . 0 0 "[ . 1 . 2]" 1
79 1 11 GLU HG2 1 12 PHE QE 3.673 . 5.359 3.770 3.250 5.227 . 0 0 "[ . 1 . 2]" 1
80 1 10 THR HB 1 10 THR MG 2.407 . 3.131 2.136 2.131 2.140 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR HA 1 10 THR MG 2.566 . 3.389 2.352 2.190 3.223 . 0 0 "[ . 1 . 2]" 1
82 1 9 MET H 1 9 MET HG2 3.252 . 4.574 2.910 1.994 4.470 . 0 0 "[ . 1 . 2]" 1
83 1 8 SER HB3 1 9 MET H 3.507 . 5.044 3.754 3.210 4.342 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLN H 1 6 GLN HB2 3.170 . 4.426 2.767 2.393 3.431 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS HG3 1 8 SER H 3.357 . 4.766 3.071 2.743 3.575 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS HD2 1 8 SER H 3.611 . 5.241 3.955 2.287 5.272 0.031 19 0 "[ . 1 . 2]" 1
87 1 10 THR H 1 11 GLU HG3 3.896 . 5.793 5.688 5.211 6.355 0.562 7 1 "[ . + 1 . 2]" 1
88 1 9 MET H 1 9 MET HG3 3.756 . 5.520 3.202 2.140 4.472 . 0 0 "[ . 1 . 2]" 1
89 1 8 SER HB2 1 9 MET H 3.769 . 5.545 4.158 3.334 4.395 . 0 0 "[ . 1 . 2]" 1
90 1 5 ARG H 1 5 ARG HB2 3.463 . 4.962 2.863 2.466 3.974 . 0 0 "[ . 1 . 2]" 1
91 1 8 SER HA 1 8 SER HB3 2.278 . 2.926 2.547 2.336 3.033 0.107 19 0 "[ . 1 . 2]" 1
92 1 8 SER HA 1 8 SER HB2 2.550 . 3.363 2.854 2.442 3.033 . 0 0 "[ . 1 . 2]" 1
93 1 13 TYR H 1 13 TYR QD 3.610 . 5.239 3.654 2.217 4.516 . 0 0 "[ . 1 . 2]" 1
94 1 5 ARG HA 1 5 ARG HB2 2.435 . 3.176 2.572 2.394 3.026 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS H 1 7 LYS QB 2.352 . 3.044 2.274 2.178 3.097 0.053 8 0 "[ . 1 . 2]" 1
96 1 11 GLU H 1 11 GLU QB 2.373 . 3.077 2.583 2.479 2.715 . 0 0 "[ . 1 . 2]" 1
97 1 13 TYR HB3 1 14 HIS H 3.103 . 4.306 2.737 2.226 3.668 . 0 0 "[ . 1 . 2]" 1
98 1 4 ARG HB2 1 5 ARG H 2.604 . 3.451 2.708 2.260 3.488 0.037 10 0 "[ . 1 . 2]" 1
99 1 4 ARG HG3 1 5 ARG H 3.187 . 4.456 3.123 1.916 3.929 0.002 20 0 "[ . 1 . 2]" 1
100 1 5 ARG HA 1 6 GLN H 2.259 . 2.897 2.380 2.046 2.803 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLU QB 1 12 PHE H 2.892 . 3.937 3.784 3.598 4.017 0.080 19 0 "[ . 1 . 2]" 1
102 1 7 LYS HA 1 7 LYS QB 2.423 . 3.157 2.356 2.171 2.429 . 0 0 "[ . 1 . 2]" 1
103 1 5 ARG HA 1 5 ARG QG 3.425 . 4.891 2.667 2.348 3.346 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS QB 1 7 LYS HG3 2.517 . 3.309 2.330 2.156 2.426 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLN HB2 1 6 GLN QG 2.031 . 2.547 2.308 2.162 2.376 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLN HB3 1 6 GLN QG 2.217 . 2.832 2.321 2.162 2.376 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS QB 1 7 LYS HE2 3.274 . 4.614 4.209 3.888 4.527 . 0 0 "[ . 1 . 2]" 1
108 1 8 SER HB2 1 11 GLU QB 3.300 . 4.661 3.686 1.997 5.121 0.460 11 0 "[ . 1 . 2]" 1
109 1 7 LYS HD3 1 8 SER H 3.415 . 4.872 3.276 2.413 4.283 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU QB 1 11 GLU HG3 2.066 . 2.599 2.371 2.333 2.407 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS QB 1 7 LYS HE3 3.409 . 4.862 4.106 3.933 4.472 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLU HA 1 11 GLU QB 2.032 . 2.548 2.178 2.168 2.185 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS QB 1 8 SER H 3.054 . 4.220 3.619 2.170 3.871 . 0 0 "[ . 1 . 2]" 1
114 1 4 ARG HA 1 5 ARG H 2.101 . 2.653 2.319 2.084 2.710 0.057 11 0 "[ . 1 . 2]" 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 2
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 18.715
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0234
_Distance_constraint_stats_list.Viol_average_violations_only 0.0492
_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 8 SER 0.936 0.093 18 0 "[ . 1 . 2]"
1 11 GLU 0.936 0.093 18 0 "[ . 1 . 2]"
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 SER O 1 11 GLU H 1.800 . 2.300 2.340 2.193 2.393 0.093 18 0 "[ . 1 . 2]" 2
2 1 8 SER O 1 11 GLU N 2.800 2.800 3.300 3.158 3.034 3.317 0.017 3 0 "[ . 1 . 2]" 2
stop_
save_
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