NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583199 |
2mu7   |
25201 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mu7
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 119
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 8.429
_Distance_constraint_stats_list.Viol_max 0.486
_Distance_constraint_stats_list.Viol_rms 0.1025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0708
_Distance_constraint_stats_list.Viol_average_violations_only 0.1360
_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 GLY 0.000 0.000 . 0 "[ ]"
1 2 TYR 0.474 0.185 1 0 "[ ]"
1 3 SER 0.427 0.192 1 0 "[ ]"
1 4 LEU 2.157 0.359 1 0 "[ ]"
1 5 PHE 1.175 0.293 1 0 "[ ]"
1 6 GLN 0.447 0.216 1 0 "[ ]"
1 7 LYS 1.094 0.359 1 0 "[ ]"
1 8 GLU 0.705 0.294 1 0 "[ ]"
1 9 LYS 0.726 0.263 1 0 "[ ]"
1 10 MET 0.352 0.127 1 0 "[ ]"
1 11 VAL 0.645 0.238 1 0 "[ ]"
1 12 LEU 0.434 0.145 1 0 "[ ]"
1 13 ASN 0.642 0.177 1 0 "[ ]"
1 14 GLU 0.354 0.175 1 0 "[ ]"
1 15 GLY 0.559 0.486 1 0 "[ ]"
1 16 THR 0.958 0.486 1 0 "[ ]"
1 17 SER 0.215 0.126 1 0 "[ ]"
1 18 GLY 0.379 0.320 1 0 "[ ]"
1 19 THR 0.356 0.320 1 0 "[ ]"
1 20 ALA 0.000 0.000 . 0 "[ ]"
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 5 PHE H 1 5 PHE HA 2.700 . 2.700 2.839 2.839 2.839 0.139 1 0 "[ ]" 1
2 1 1 GLY HA3 1 2 TYR H 3.500 2.700 3.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
3 1 11 VAL H 1 11 VAL HA 2.700 . 2.700 2.938 2.938 2.938 0.238 1 0 "[ ]" 1
4 1 3 SER HA 1 4 LEU H 2.700 . 2.700 2.253 2.253 2.253 . 0 0 "[ ]" 1
5 1 19 THR H 1 19 THR HA 2.700 . 2.700 2.318 2.318 2.318 . 0 0 "[ ]" 1
6 1 3 SER H 1 3 SER HA 2.700 . 2.700 2.892 2.892 2.892 0.192 1 0 "[ ]" 1
7 1 3 SER H 1 3 SER QB 3.500 2.700 4.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
8 1 8 GLU H 1 8 GLU HA 3.500 2.700 3.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
9 1 8 GLU H 1 8 GLU HB2 2.700 . 2.700 1.810 1.810 1.810 . 0 0 "[ ]" 1
10 1 14 GLU HA 1 15 GLY H 3.500 2.700 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
11 1 13 ASN HA 1 17 SER H 5.000 3.500 5.000 3.478 3.478 3.478 0.022 1 0 "[ ]" 1
12 1 17 SER H 1 17 SER HA 3.500 2.700 3.500 3.058 3.058 3.058 . 0 0 "[ ]" 1
13 1 16 THR HA 1 17 SER H 3.500 2.700 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 1
14 1 13 ASN HA 1 14 GLU H 3.500 2.700 3.500 3.571 3.571 3.571 0.071 1 0 "[ ]" 1
15 1 13 ASN H 1 13 ASN HA 2.700 . 2.700 2.877 2.877 2.877 0.177 1 0 "[ ]" 1
16 1 14 GLU H 1 14 GLU HA 2.700 . 2.700 2.875 2.875 2.875 0.175 1 0 "[ ]" 1
17 1 16 THR H 1 16 THR HA 3.500 2.700 3.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
18 1 10 MET H 1 10 MET HA 2.700 . 2.700 2.827 2.827 2.827 0.127 1 0 "[ ]" 1
19 1 4 LEU H 1 4 LEU HA 3.500 2.700 3.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
20 1 4 LEU H 1 7 LYS HA 3.500 2.700 3.500 3.859 3.859 3.859 0.359 1 0 "[ ]" 1
21 1 9 LYS HA 1 10 MET H 3.500 2.700 3.500 3.490 3.490 3.490 . 0 0 "[ ]" 1
22 1 4 LEU HA 1 5 PHE H 3.500 2.700 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1
23 1 7 LYS H 1 7 LYS HA 3.500 2.700 3.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
24 1 9 LYS HA 1 11 VAL H 3.500 2.700 3.500 3.691 3.691 3.691 0.191 1 0 "[ ]" 1
25 1 8 GLU HA 1 11 VAL H 3.500 2.700 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1
26 1 1 GLY HA2 1 2 TYR H 2.700 . 2.700 2.177 2.177 2.177 . 0 0 "[ ]" 1
27 1 6 GLN H 1 6 GLN HA 3.500 2.700 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
28 1 9 LYS H 1 9 LYS HA 2.700 . 2.700 2.875 2.875 2.875 0.175 1 0 "[ ]" 1
29 1 12 LEU H 1 12 LEU HA 2.700 . 2.700 2.799 2.799 2.799 0.099 1 0 "[ ]" 1
30 1 20 ALA H 1 20 ALA HA 3.500 2.700 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
31 1 8 GLU HA 1 9 LYS H 5.000 3.500 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
32 1 15 GLY QA 1 16 THR H 3.500 2.700 4.500 2.214 2.214 2.214 0.486 1 0 "[ ]" 1
33 1 18 GLY QA 1 19 THR H 3.500 2.700 4.500 2.380 2.380 2.380 0.320 1 0 "[ ]" 1
34 1 17 SER H 1 17 SER QB 3.500 2.700 4.500 2.574 2.574 2.574 0.126 1 0 "[ ]" 1
35 1 2 TYR H 1 2 TYR HA 2.700 . 2.700 2.885 2.885 2.885 0.185 1 0 "[ ]" 1
36 1 2 TYR HA 1 5 PHE H 5.000 3.500 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
37 1 4 LEU HA 1 7 LYS H 3.500 2.700 3.500 3.675 3.675 3.675 0.175 1 0 "[ ]" 1
38 1 11 VAL HA 1 12 LEU H 3.500 2.700 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
39 1 6 GLN HA 1 7 LYS H 3.500 2.700 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
40 1 3 SER QB 1 4 LEU H 3.500 2.700 4.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
41 1 4 LEU HA 1 8 GLU H 5.000 3.500 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
42 1 12 LEU HA 1 15 GLY H 5.000 3.500 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
43 1 5 PHE HA 1 8 GLU H 5.000 3.500 5.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
44 1 2 TYR HB3 1 3 SER H 5.000 3.500 5.000 3.426 3.426 3.426 0.074 1 0 "[ ]" 1
45 1 2 TYR HB2 1 3 SER H 5.000 3.500 5.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
46 1 5 PHE H 1 5 PHE HB3 3.500 2.700 3.500 3.647 3.647 3.647 0.147 1 0 "[ ]" 1
47 1 5 PHE H 1 5 PHE HB2 3.500 2.700 3.500 2.614 2.614 2.614 0.086 1 0 "[ ]" 1
48 1 5 PHE HB2 1 6 GLN H 3.500 2.700 3.500 2.683 2.683 2.683 0.017 1 0 "[ ]" 1
49 1 2 TYR H 1 2 TYR HB2 3.500 2.700 3.500 2.616 2.616 2.616 0.084 1 0 "[ ]" 1
50 1 2 TYR H 1 2 TYR HB3 2.700 . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1
51 1 13 ASN H 1 13 ASN HB3 2.700 . 2.700 2.709 2.709 2.709 0.009 1 0 "[ ]" 1
52 1 13 ASN HB3 1 14 GLU H 3.500 2.700 3.500 2.796 2.796 2.796 . 0 0 "[ ]" 1
53 1 13 ASN H 1 13 ASN HB2 3.500 2.700 3.500 2.628 2.628 2.628 0.072 1 0 "[ ]" 1
54 1 14 GLU H 1 14 GLU QB 2.700 . 3.700 2.546 2.546 2.546 . 0 0 "[ ]" 1
55 1 8 GLU H 1 8 GLU HG2 3.500 2.700 3.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
56 1 8 GLU H 1 8 GLU HG3 3.500 2.700 3.500 3.656 3.656 3.656 0.156 1 0 "[ ]" 1
57 1 14 GLU H 1 14 GLU HG3 5.000 3.500 5.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
58 1 14 GLU H 1 14 GLU HG2 3.500 2.700 3.500 2.665 2.665 2.665 0.035 1 0 "[ ]" 1
59 1 6 GLN H 1 6 GLN QG 3.500 2.700 4.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
60 1 11 VAL H 1 11 VAL HB 2.700 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
61 1 6 GLN H 1 6 GLN HB3 2.700 . 2.700 2.916 2.916 2.916 0.216 1 0 "[ ]" 1
62 1 9 LYS H 1 10 MET QB 3.500 2.700 4.500 4.165 4.165 4.165 . 0 0 "[ ]" 1
63 1 6 GLN HB3 1 7 LYS H 3.500 2.700 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
64 1 10 MET H 1 10 MET QB 2.700 . 3.700 2.127 2.127 2.127 . 0 0 "[ ]" 1
65 1 8 GLU H 1 8 GLU HB3 2.700 . 2.700 2.994 2.994 2.994 0.294 1 0 "[ ]" 1
66 1 7 LYS HB3 1 8 GLU H 3.500 2.700 3.500 2.672 2.672 2.672 0.028 1 0 "[ ]" 1
67 1 6 GLN H 1 6 GLN HB2 2.700 . 2.700 2.040 2.040 2.040 . 0 0 "[ ]" 1
68 1 9 LYS H 1 9 LYS HB2 2.700 . 2.700 2.576 2.576 2.576 . 0 0 "[ ]" 1
69 1 7 LYS H 1 7 LYS HB2 3.500 2.700 3.500 2.782 2.782 2.782 . 0 0 "[ ]" 1
70 1 7 LYS H 1 7 LYS HB3 2.700 . 2.700 2.525 2.525 2.525 . 0 0 "[ ]" 1
71 1 12 LEU H 1 12 LEU HB2 2.700 . 2.700 2.261 2.261 2.261 . 0 0 "[ ]" 1
72 1 12 LEU HB2 1 13 ASN H 3.500 2.700 3.500 3.645 3.645 3.645 0.145 1 0 "[ ]" 1
73 1 9 LYS H 1 9 LYS HB3 2.700 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
74 1 9 LYS HB3 1 10 MET H 2.700 . 2.700 2.748 2.748 2.748 0.048 1 0 "[ ]" 1
75 1 12 LEU H 1 12 LEU HB3 3.500 2.700 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
76 1 12 LEU HB3 1 13 ASN H 3.500 2.700 3.500 2.597 2.597 2.597 0.103 1 0 "[ ]" 1
77 1 4 LEU H 1 4 LEU HB3 2.700 . 2.700 2.930 2.930 2.930 0.230 1 0 "[ ]" 1
78 1 4 LEU H 1 4 LEU HB2 3.500 2.700 3.500 3.617 3.617 3.617 0.117 1 0 "[ ]" 1
79 1 4 LEU HB2 1 5 PHE H 3.500 2.700 3.500 3.725 3.725 3.725 0.225 1 0 "[ ]" 1
80 1 4 LEU HB3 1 5 PHE H 3.500 2.700 3.500 2.407 2.407 2.407 0.293 1 0 "[ ]" 1
81 1 7 LYS H 1 7 LYS QG 3.500 2.700 4.500 4.144 4.144 4.144 . 0 0 "[ ]" 1
82 1 16 THR H 1 16 THR HG1 3.500 2.700 3.500 2.273 2.273 2.273 0.427 1 0 "[ ]" 1
83 1 11 VAL MG1 1 12 LEU H 3.500 2.700 4.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
84 1 2 TYR HB2 1 2 TYR QD 2.700 . 4.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
85 1 2 TYR HB3 1 2 TYR QD 2.700 . 4.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
86 1 5 PHE HB3 1 5 PHE QD 2.700 . 4.700 2.575 2.575 2.575 . 0 0 "[ ]" 1
87 1 5 PHE HB2 1 5 PHE QD 2.700 . 4.700 2.431 2.431 2.431 . 0 0 "[ ]" 1
88 1 5 PHE H 1 6 GLN H 2.700 . 2.700 2.790 2.790 2.790 0.090 1 0 "[ ]" 1
89 1 9 LYS H 1 10 MET H 3.500 2.700 3.500 2.650 2.650 2.650 0.050 1 0 "[ ]" 1
90 1 10 MET H 1 11 VAL H 2.700 . 2.700 2.785 2.785 2.785 0.085 1 0 "[ ]" 1
91 1 6 GLN H 1 7 LYS H 3.500 2.700 3.500 2.588 2.588 2.588 0.112 1 0 "[ ]" 1
92 1 3 SER H 1 4 LEU H 2.700 . 2.700 2.861 2.861 2.861 0.161 1 0 "[ ]" 1
93 1 7 LYS H 1 8 GLU H 2.700 . 2.700 2.866 2.866 2.866 0.166 1 0 "[ ]" 1
94 1 15 GLY H 1 16 THR H 3.500 2.700 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
95 1 16 THR H 1 17 SER H 3.500 2.700 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
96 1 18 GLY H 1 19 THR H 2.700 . 2.700 2.736 2.736 2.736 0.036 1 0 "[ ]" 1
97 1 2 TYR H 1 3 SER H 3.500 2.700 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
98 1 14 GLU H 1 15 GLY H 2.700 . 2.700 2.773 2.773 2.773 0.073 1 0 "[ ]" 1
99 1 17 SER H 1 18 GLY H 3.500 2.700 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
100 1 5 PHE HA 1 5 PHE HB3 3.500 2.700 3.500 2.590 2.590 2.590 0.110 1 0 "[ ]" 1
101 1 5 PHE HA 1 5 PHE HB2 3.500 2.700 3.500 3.122 3.122 3.122 . 0 0 "[ ]" 1
102 1 2 TYR HA 1 5 PHE HB2 5.000 3.500 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
103 1 2 TYR HA 1 2 TYR HB3 3.500 2.700 3.500 3.092 3.092 3.092 . 0 0 "[ ]" 1
104 1 2 TYR HA 1 2 TYR HB2 3.500 2.700 3.500 2.597 2.597 2.597 0.103 1 0 "[ ]" 1
105 1 13 ASN HA 1 13 ASN HB3 3.500 2.700 3.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
106 1 10 MET HA 1 13 ASN HB3 5.000 3.500 5.000 3.458 3.458 3.458 0.042 1 0 "[ ]" 1
107 1 5 PHE HA 1 8 GLU HB2 5.000 3.500 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
108 1 8 GLU HA 1 8 GLU HB2 3.500 2.700 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 1
109 1 6 GLN HA 1 6 GLN HB3 3.500 2.700 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 1
110 1 6 GLN HA 1 6 GLN HB2 3.500 2.700 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
111 1 11 VAL HA 1 11 VAL HB 3.500 2.700 3.500 3.057 3.057 3.057 . 0 0 "[ ]" 1
112 1 4 LEU HA 1 7 LYS HB3 3.500 2.700 3.500 2.678 2.678 2.678 0.022 1 0 "[ ]" 1
113 1 7 LYS HA 1 7 LYS HB3 2.700 . 2.700 2.920 2.920 2.920 0.220 1 0 "[ ]" 1
114 1 9 LYS HA 1 9 LYS HB3 2.700 . 2.700 2.963 2.963 2.963 0.263 1 0 "[ ]" 1
115 1 12 LEU HA 1 12 LEU HB2 3.500 2.700 3.500 2.681 2.681 2.681 0.019 1 0 "[ ]" 1
116 1 4 LEU HA 1 4 LEU HB2 3.500 2.700 3.500 2.494 2.494 2.494 0.206 1 0 "[ ]" 1
117 1 4 LEU HA 1 4 LEU HB3 2.700 . 2.700 3.002 3.002 3.002 0.302 1 0 "[ ]" 1
118 1 12 LEU HA 1 12 LEU HB3 3.500 2.700 3.500 3.082 3.082 3.082 . 0 0 "[ ]" 1
119 1 8 GLU HA 1 12 LEU H 5.000 3.500 5.000 4.668 4.668 4.668 . 0 0 "[ ]" 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 5
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.135
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0518
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0269
_Distance_constraint_stats_list.Viol_average_violations_only 0.0449
_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 2 TYR 0.113 0.113 1 0 "[ ]"
1 6 GLN 0.113 0.113 1 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 MET 0.017 0.017 1 0 "[ ]"
1 11 VAL 0.005 0.005 1 0 "[ ]"
1 13 ASN 0.000 0.000 . 0 "[ ]"
1 14 GLU 0.017 0.017 1 0 "[ ]"
1 15 GLY 0.005 0.005 1 0 "[ ]"
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 2 TYR O 1 6 GLN H . . 2.500 2.613 2.613 2.613 0.113 1 0 "[ ]" 2
2 1 6 GLN O 1 10 MET H . . 2.500 2.159 2.159 2.159 . 0 0 "[ ]" 2
3 1 9 LYS O 1 13 ASN H . . 2.500 2.288 2.288 2.288 . 0 0 "[ ]" 2
4 1 10 MET O 1 14 GLU H . . 2.500 2.517 2.517 2.517 0.017 1 0 "[ ]" 2
5 1 11 VAL O 1 15 GLY H . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 2
stop_
save_
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