NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608856 |
5kx2   |
30146 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kx2
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 40
_Distance_constraint_stats_list.Viol_total 24.193
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0302
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.006 0.006 10 0 "[ . 1 . 2]"
1 4 TRP 0.106 0.032 20 0 "[ . 1 . 2]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ARG 0.013 0.011 3 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 DPR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.685 0.122 20 0 "[ . 1 . 2]"
1 12 VAL 0.685 0.122 20 0 "[ . 1 . 2]"
1 13 ARG 0.012 0.012 1 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.388 0.077 14 0 "[ . 1 . 2]"
1 16 VAL 0.394 0.077 14 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 DPR 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 2 VAL HB 1 3 THR H 3.070 . 4.340 4.084 3.857 4.235 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR H 1 3 THR HB 2.690 . 3.580 2.600 2.477 2.744 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 THR H 2.365 . 2.930 2.166 2.098 2.297 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 4 TRP H 3.580 . 5.360 4.274 3.957 4.477 . 0 0 "[ . 1 . 2]" 1
5 1 2 VAL H 1 2 VAL MG1 3.215 . 4.630 3.865 3.794 3.909 . 0 0 "[ . 1 . 2]" 1
6 1 2 VAL H 1 2 VAL HB 2.645 . 3.490 2.668 2.518 2.737 . 0 0 "[ . 1 . 2]" 1
7 1 1 PRO HD2 1 2 VAL H 3.280 . 4.760 2.565 2.336 2.707 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 17 ARG H 3.085 . 4.370 3.517 3.289 3.757 . 0 0 "[ . 1 . 2]" 1
9 1 4 TRP H 1 4 TRP HB2 2.815 . 3.830 2.501 2.407 2.596 . 0 0 "[ . 1 . 2]" 1
10 1 4 TRP H 1 4 TRP HB3 2.815 . 3.830 3.664 3.601 3.739 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR HA 1 4 TRP H 2.360 . 2.920 2.167 2.083 2.235 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP HA 1 5 CYS H 2.415 . 3.030 2.169 2.098 2.253 . 0 0 "[ . 1 . 2]" 1
13 1 5 CYS HA 1 6 VAL H 2.370 . 2.940 2.066 2.035 2.098 . 0 0 "[ . 1 . 2]" 1
14 1 6 VAL H 1 6 VAL MG1 3.175 . 4.550 2.725 1.997 3.858 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL H 1 6 VAL MG2 3.175 . 4.550 2.763 1.950 3.853 . 0 0 "[ . 1 . 2]" 1
16 1 6 VAL H 1 6 VAL HB 2.980 . 4.160 3.228 2.543 3.813 . 0 0 "[ . 1 . 2]" 1
17 1 6 VAL MG1 1 7 ARG H 3.280 . 4.760 3.627 2.598 4.067 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL MG2 1 7 ARG H 3.280 . 4.760 3.408 2.326 4.230 . 0 0 "[ . 1 . 2]" 1
19 1 7 ARG H 1 7 ARG HB3 2.845 . 3.890 3.063 2.418 3.672 . 0 0 "[ . 1 . 2]" 1
20 1 7 ARG H 1 7 ARG HB2 2.845 . 3.890 3.181 2.382 3.844 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL HA 1 7 ARG H 2.350 . 2.900 2.211 2.095 2.454 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE HA 1 9 DPR HD2 2.715 . 3.630 2.396 1.992 2.843 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP H 1 15 THR H 3.070 . 4.340 3.387 3.078 3.594 . 0 0 "[ . 1 . 2]" 1
24 1 14 CYS HA 1 15 THR H 2.360 . 2.920 2.070 2.018 2.155 . 0 0 "[ . 1 . 2]" 1
25 1 14 CYS H 1 14 CYS HB2 2.665 . 3.530 2.481 2.415 2.617 . 0 0 "[ . 1 . 2]" 1
26 1 14 CYS H 1 14 CYS HB3 2.935 . 4.070 3.660 3.611 3.743 . 0 0 "[ . 1 . 2]" 1
27 1 14 CYS HB3 1 15 THR H 3.055 . 4.310 3.721 3.262 3.952 . 0 0 "[ . 1 . 2]" 1
28 1 13 ARG HA 1 14 CYS H 2.385 . 2.970 2.136 2.083 2.265 . 0 0 "[ . 1 . 2]" 1
29 1 13 ARG H 1 13 ARG HB2 2.880 . 3.960 2.871 2.512 3.804 . 0 0 "[ . 1 . 2]" 1
30 1 13 ARG H 1 13 ARG HB3 2.880 . 3.960 3.008 2.441 3.748 . 0 0 "[ . 1 . 2]" 1
31 1 12 VAL HA 1 13 ARG H 2.360 . 2.920 2.132 2.048 2.278 . 0 0 "[ . 1 . 2]" 1
32 1 2 VAL MG2 1 3 THR H 3.250 . 4.700 4.087 4.017 4.161 . 0 0 "[ . 1 . 2]" 1
33 1 12 VAL H 1 12 VAL HB 2.790 . 3.780 2.981 2.520 3.775 . 0 0 "[ . 1 . 2]" 1
34 1 11 THR HA 1 12 VAL H 2.390 . 2.980 2.160 2.067 2.417 . 0 0 "[ . 1 . 2]" 1
35 1 11 THR HB 1 12 VAL H 2.925 . 4.050 3.792 2.411 4.172 0.122 20 0 "[ . 1 . 2]" 1
36 1 11 THR MG 1 12 VAL H 2.980 . 4.160 3.131 2.597 3.995 . 0 0 "[ . 1 . 2]" 1
37 1 11 THR H 1 11 THR MG 2.990 . 4.180 3.531 2.847 3.854 . 0 0 "[ . 1 . 2]" 1
38 1 11 THR H 1 11 THR HB 2.775 . 3.750 2.950 2.429 3.729 . 0 0 "[ . 1 . 2]" 1
39 1 16 VAL H 1 16 VAL MG1 3.180 . 4.560 2.761 1.991 3.832 . 0 0 "[ . 1 . 2]" 1
40 1 16 VAL H 1 16 VAL MG2 3.180 . 4.560 3.047 1.979 3.903 . 0 0 "[ . 1 . 2]" 1
41 1 15 THR MG 1 16 VAL H 2.915 . 4.030 3.263 2.655 4.064 0.034 7 0 "[ . 1 . 2]" 1
42 1 16 VAL H 1 16 VAL HB 2.780 . 3.760 2.905 2.514 3.730 . 0 0 "[ . 1 . 2]" 1
43 1 16 VAL MG1 1 17 ARG H 3.280 . 4.760 3.623 2.638 4.188 . 0 0 "[ . 1 . 2]" 1
44 1 16 VAL MG2 1 17 ARG H 3.280 . 4.760 3.416 2.527 4.223 . 0 0 "[ . 1 . 2]" 1
45 1 15 THR HA 1 16 VAL H 2.375 . 2.950 2.165 2.037 2.354 . 0 0 "[ . 1 . 2]" 1
46 1 15 THR HB 1 16 VAL H 2.985 . 4.170 4.077 3.542 4.247 0.077 14 0 "[ . 1 . 2]" 1
47 1 15 THR H 1 15 THR MG 3.090 . 4.380 3.238 1.996 3.836 . 0 0 "[ . 1 . 2]" 1
48 1 15 THR H 1 15 THR HB 2.830 . 3.860 2.755 2.354 3.591 . 0 0 "[ . 1 . 2]" 1
49 1 3 THR HA 1 17 ARG H 2.945 . 4.090 3.130 2.813 3.504 . 0 0 "[ . 1 . 2]" 1
50 1 16 VAL HA 1 17 ARG H 2.355 . 2.910 2.073 2.003 2.130 . 0 0 "[ . 1 . 2]" 1
51 1 1 PRO HD2 1 18 DPR HA 2.640 . 3.480 2.402 2.305 2.534 . 0 0 "[ . 1 . 2]" 1
52 1 17 ARG HA 1 18 DPR HD2 2.715 . 3.630 2.361 1.966 2.832 . 0 0 "[ . 1 . 2]" 1
53 1 1 PRO HD3 1 2 VAL H 3.280 . 4.760 3.820 3.669 3.906 . 0 0 "[ . 1 . 2]" 1
54 1 2 VAL H 1 18 DPR HA 3.365 . 4.930 3.577 3.447 3.729 . 0 0 "[ . 1 . 2]" 1
55 1 2 VAL HA 1 2 VAL MG1 2.815 . 3.830 2.372 2.311 2.418 . 0 0 "[ . 1 . 2]" 1
56 1 2 VAL HA 1 2 VAL MG2 2.815 . 3.830 2.459 2.427 2.518 . 0 0 "[ . 1 . 2]" 1
57 1 2 VAL H 1 2 VAL MG2 3.215 . 4.630 2.529 2.204 2.659 . 0 0 "[ . 1 . 2]" 1
58 1 3 THR HA 1 3 THR MG 2.680 . 3.560 2.340 2.209 2.414 . 0 0 "[ . 1 . 2]" 1
59 1 2 VAL MG1 1 3 THR H 3.250 . 4.700 2.622 2.284 2.851 . 0 0 "[ . 1 . 2]" 1
60 1 3 THR H 1 3 THR MG 3.195 . 4.590 3.810 3.731 3.897 . 0 0 "[ . 1 . 2]" 1
61 1 4 TRP HA 1 4 TRP HE3 3.185 . 4.570 3.014 2.382 3.409 . 0 0 "[ . 1 . 2]" 1
62 1 4 TRP HA 1 4 TRP HD1 3.420 . 5.040 4.263 4.079 4.569 . 0 0 "[ . 1 . 2]" 1
63 1 4 TRP HA 1 4 TRP HZ3 3.650 . 5.500 5.143 4.632 5.507 0.007 7 0 "[ . 1 . 2]" 1
64 1 4 TRP HB2 1 5 CYS H 3.380 . 4.960 4.338 3.963 4.476 . 0 0 "[ . 1 . 2]" 1
65 1 4 TRP HB3 1 5 CYS H 3.380 . 4.960 3.631 2.915 3.867 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE HG13 1 8 ILE MG 2.725 . 3.650 3.023 2.346 3.216 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 8 ILE HG13 3.305 . 4.810 3.040 2.407 4.644 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 8 ILE HG12 3.305 . 4.810 3.777 2.376 4.448 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE H 1 8 ILE HB 2.775 . 3.750 2.629 2.462 3.093 . 0 0 "[ . 1 . 2]" 1
70 1 11 THR HA 1 11 THR MG 2.760 . 3.720 2.297 2.200 2.375 . 0 0 "[ . 1 . 2]" 1
71 1 15 THR HA 1 15 THR MG 2.915 . 4.030 2.505 2.250 3.250 . 0 0 "[ . 1 . 2]" 1
72 1 12 VAL HA 1 12 VAL MG2 2.880 . 3.960 2.594 2.351 3.241 . 0 0 "[ . 1 . 2]" 1
73 1 3 THR MG 1 15 THR H 3.205 . 4.610 3.802 3.415 4.195 . 0 0 "[ . 1 . 2]" 1
74 1 16 VAL HA 1 16 VAL MG1 2.910 . 4.020 2.803 2.310 3.251 . 0 0 "[ . 1 . 2]" 1
75 1 16 VAL HA 1 16 VAL MG2 2.910 . 4.020 2.539 2.343 3.228 . 0 0 "[ . 1 . 2]" 1
76 1 3 THR HA 1 16 VAL MG1 3.475 . 5.150 3.880 2.151 5.070 . 0 0 "[ . 1 . 2]" 1
77 1 3 THR HA 1 16 VAL MG2 3.475 . 5.150 3.286 2.552 5.156 0.006 10 0 "[ . 1 . 2]" 1
78 1 2 VAL HB 1 17 ARG H 3.325 . 4.850 3.719 3.210 4.146 . 0 0 "[ . 1 . 2]" 1
79 1 16 VAL HB 1 17 ARG H 3.320 . 4.840 4.037 2.842 4.343 . 0 0 "[ . 1 . 2]" 1
80 1 4 TRP H 1 4 TRP HE3 3.630 . 5.460 5.336 4.851 5.492 0.032 20 0 "[ . 1 . 2]" 1
81 1 4 TRP H 1 4 TRP HD1 3.480 . 5.160 2.939 2.497 3.383 . 0 0 "[ . 1 . 2]" 1
82 1 3 THR MG 1 14 CYS HB3 3.085 . 4.370 2.204 2.006 2.591 . 0 0 "[ . 1 . 2]" 1
83 1 1 PRO HD3 1 18 DPR HA 2.640 . 3.480 2.108 2.010 2.204 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE HA 1 8 ILE MG 2.655 . 3.510 2.438 2.333 3.189 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL HA 1 12 VAL MG1 2.880 . 3.960 2.688 2.330 3.255 . 0 0 "[ . 1 . 2]" 1
86 1 13 ARG HA 1 13 ARG HD2 3.650 . 5.500 4.238 2.073 5.512 0.012 1 0 "[ . 1 . 2]" 1
87 1 13 ARG HA 1 13 ARG HD3 3.650 . 5.500 4.184 2.088 4.923 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE HG12 1 8 ILE MG 2.725 . 3.650 2.438 2.186 3.212 . 0 0 "[ . 1 . 2]" 1
89 1 1 PRO QD 1 2 VAL H 2.855 . 3.910 2.528 2.311 2.660 . 0 0 "[ . 1 . 2]" 1
90 1 1 PRO QD 1 2 VAL QG 3.065 . 4.330 2.504 2.292 2.819 . 0 0 "[ . 1 . 2]" 1
91 1 1 PRO QD 1 18 DPR HA 2.410 . 3.020 1.976 1.937 2.017 . 0 0 "[ . 1 . 2]" 1
92 1 2 VAL H 1 2 VAL QG 2.700 . 3.600 2.497 2.191 2.615 . 0 0 "[ . 1 . 2]" 1
93 1 2 VAL QG 1 3 THR H 2.725 . 3.650 2.591 2.272 2.804 . 0 0 "[ . 1 . 2]" 1
94 1 3 THR HA 1 16 VAL QG 3.055 . 4.310 2.861 2.146 3.573 . 0 0 "[ . 1 . 2]" 1
95 1 4 TRP QB 1 4 TRP HE3 2.755 . 3.710 2.592 2.416 2.890 . 0 0 "[ . 1 . 2]" 1
96 1 4 TRP QB 1 5 CYS H 3.025 . 4.250 3.453 2.845 3.635 . 0 0 "[ . 1 . 2]" 1
97 1 4 TRP HD1 1 17 ARG QB 3.105 . 4.410 2.796 2.099 3.994 . 0 0 "[ . 1 . 2]" 1
98 1 5 CYS H 1 5 CYS QB 2.635 . 3.470 2.476 2.424 2.599 . 0 0 "[ . 1 . 2]" 1
99 1 5 CYS QB 1 6 VAL H 2.825 . 3.850 3.465 3.154 3.589 . 0 0 "[ . 1 . 2]" 1
100 1 6 VAL H 1 6 VAL QG 2.860 . 3.920 2.099 1.901 2.620 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL QG 1 7 ARG H 2.940 . 4.080 2.933 2.305 3.521 . 0 0 "[ . 1 . 2]" 1
102 1 7 ARG H 1 7 ARG QB 2.570 . 3.340 2.645 2.285 3.046 . 0 0 "[ . 1 . 2]" 1
103 1 7 ARG H 1 7 ARG QG 3.250 . 4.700 2.771 2.052 4.043 . 0 0 "[ . 1 . 2]" 1
104 1 7 ARG QB 1 7 ARG QH1 3.230 . 4.660 3.784 3.026 4.306 . 0 0 "[ . 1 . 2]" 1
105 1 7 ARG QD 1 7 ARG QH1 2.655 . 3.510 1.936 1.789 2.113 0.011 3 0 "[ . 1 . 2]" 1
106 1 8 ILE H 1 8 ILE QG 2.905 . 4.010 2.796 2.353 3.948 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE QG 1 8 ILE MG 2.475 . 3.150 2.283 2.065 2.383 . 0 0 "[ . 1 . 2]" 1
108 1 10 PRO QG 1 11 THR H 3.025 . 4.250 3.314 3.047 3.834 . 0 0 "[ . 1 . 2]" 1
109 1 10 PRO QD 1 11 THR H 2.755 . 3.710 2.482 2.245 2.692 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL H 1 12 VAL QG 2.945 . 4.090 2.242 1.964 2.667 . 0 0 "[ . 1 . 2]" 1
111 1 12 VAL QG 1 13 ARG H 2.805 . 3.810 2.842 2.426 3.653 . 0 0 "[ . 1 . 2]" 1
112 1 16 VAL H 1 16 VAL QG 2.880 . 3.960 2.141 1.920 2.383 . 0 0 "[ . 1 . 2]" 1
113 1 16 VAL QG 1 17 ARG H 2.945 . 4.090 2.877 2.496 3.552 . 0 0 "[ . 1 . 2]" 1
114 1 17 ARG H 1 17 ARG QB 2.725 . 3.650 2.534 2.409 2.652 . 0 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 16
_Distance_constraint_stats_list.Viol_count 34
_Distance_constraint_stats_list.Viol_total 15.396
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_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 VAL 0.431 0.063 6 0 "[ . 1 . 2]"
1 4 TRP 0.013 0.010 2 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.326 0.040 15 0 "[ . 1 . 2]"
1 11 THR 0.326 0.040 15 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.013 0.010 2 0 "[ . 1 . 2]"
1 17 ARG 0.431 0.063 6 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 2 VAL H 1 17 ARG O 0.000 . 2.000 2.011 1.950 2.063 0.063 6 0 "[ . 1 . 2]" 2
2 1 2 VAL N 1 17 ARG O 0.000 . 3.000 2.947 2.871 3.004 0.004 11 0 "[ . 1 . 2]" 2
3 1 4 TRP H 1 15 THR O 0.000 . 2.000 1.831 1.710 2.010 0.010 2 0 "[ . 1 . 2]" 2
4 1 4 TRP N 1 15 THR O 0.000 . 3.000 2.788 2.676 2.949 . 0 0 "[ . 1 . 2]" 2
5 1 6 VAL H 1 13 ARG O 0.000 . 2.000 1.887 1.735 1.996 . 0 0 "[ . 1 . 2]" 2
6 1 6 VAL N 1 13 ARG O 0.000 . 3.000 2.824 2.704 2.890 . 0 0 "[ . 1 . 2]" 2
7 1 8 ILE H 1 11 THR O 0.000 . 2.000 1.830 1.675 2.022 0.022 16 0 "[ . 1 . 2]" 2
8 1 8 ILE N 1 11 THR O 0.000 . 3.000 2.735 2.650 2.806 . 0 0 "[ . 1 . 2]" 2
9 1 8 ILE O 1 11 THR H 0.000 . 2.000 2.001 1.928 2.040 0.040 15 0 "[ . 1 . 2]" 2
10 1 8 ILE O 1 11 THR N 0.000 . 3.000 2.921 2.840 2.972 . 0 0 "[ . 1 . 2]" 2
11 1 6 VAL O 1 13 ARG H 0.000 . 2.000 1.786 1.704 1.887 . 0 0 "[ . 1 . 2]" 2
12 1 6 VAL O 1 13 ARG N 0.000 . 3.000 2.755 2.690 2.866 . 0 0 "[ . 1 . 2]" 2
13 1 4 TRP O 1 15 THR H 0.000 . 2.000 1.851 1.705 2.003 0.003 2 0 "[ . 1 . 2]" 2
14 1 4 TRP O 1 15 THR N 0.000 . 3.000 2.769 2.682 2.875 . 0 0 "[ . 1 . 2]" 2
15 1 2 VAL O 1 17 ARG H 0.000 . 2.000 1.774 1.709 1.909 . 0 0 "[ . 1 . 2]" 2
16 1 2 VAL O 1 17 ARG N 0.000 . 3.000 2.727 2.677 2.848 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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