NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624420 |
5ujg   |
30232 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ujg
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 105
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 4.328
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0049
_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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TYR 0.002 0.001 12 0 "[ . 1 . 2]"
1 7 THR 0.027 0.023 20 0 "[ . 1 . 2]"
1 8 CYS 0.033 0.023 20 0 "[ . 1 . 2]"
1 9 ARG 0.055 0.020 20 0 "[ . 1 . 2]"
1 10 PRO 0.001 0.001 15 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.021 0.012 9 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 17 0 "[ . 1 . 2]"
1 15 CYS 0.002 0.002 15 0 "[ . 1 . 2]"
1 16 ARG 0.050 0.013 9 0 "[ . 1 . 2]"
1 17 GLY 0.080 0.017 14 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TYR 0.083 0.017 14 0 "[ . 1 . 2]"
1 22 GLY 0.002 0.002 19 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 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 12 GLN H 1 12 GLN HB3 . . 3.580 3.192 2.706 3.582 0.002 20 0 "[ . 1 . 2]" 1
2 1 12 GLN H 1 12 GLN HG2 . . 4.730 3.752 2.330 4.633 . 0 0 "[ . 1 . 2]" 1
3 1 13 THR H 1 13 THR HG1 . . 4.370 4.234 3.436 4.370 . 0 0 "[ . 1 . 2]" 1
4 1 14 CYS H 1 14 CYS HB2 . . 3.430 2.608 2.354 2.815 . 0 0 "[ . 1 . 2]" 1
5 1 7 THR H 1 7 THR HG1 . . 4.410 2.872 2.039 4.349 . 0 0 "[ . 1 . 2]" 1
6 1 9 ARG H 1 9 ARG QG . . 3.440 2.867 2.034 3.438 . 0 0 "[ . 1 . 2]" 1
7 1 9 ARG H 1 9 ARG HB3 . . 3.840 3.442 2.714 3.617 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL H 1 5 VAL HB . . 3.830 2.967 2.461 3.716 . 0 0 "[ . 1 . 2]" 1
9 1 18 LEU H 1 18 LEU QD . . 4.850 2.601 1.912 3.245 . 0 0 "[ . 1 . 2]" 1
10 1 18 LEU H 1 18 LEU HG . . 4.200 2.608 1.952 4.093 . 0 0 "[ . 1 . 2]" 1
11 1 8 CYS HB3 1 9 ARG H . . 3.660 2.116 1.944 2.307 . 0 0 "[ . 1 . 2]" 1
12 1 12 GLN H 1 12 GLN HG3 . . 4.730 4.007 2.993 4.550 . 0 0 "[ . 1 . 2]" 1
13 1 12 GLN HA 1 13 THR H . . 3.450 2.235 2.149 2.293 . 0 0 "[ . 1 . 2]" 1
14 1 23 CYS HA 1 24 CYS H . . 3.250 2.155 2.138 2.207 . 0 0 "[ . 1 . 2]" 1
15 1 12 GLN H 1 12 GLN HB2 . . 3.580 2.250 2.093 2.416 . 0 0 "[ . 1 . 2]" 1
16 1 14 CYS H 1 14 CYS HB3 . . 3.430 2.572 2.367 2.841 . 0 0 "[ . 1 . 2]" 1
17 1 7 THR H 1 7 THR HB . . 4.000 3.507 2.677 3.831 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG H 1 9 ARG QD . . 4.200 3.696 2.055 4.220 0.020 20 0 "[ . 1 . 2]" 1
19 1 9 ARG H 1 9 ARG HB2 . . 3.840 2.523 2.161 3.688 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL H 1 5 VAL MG1 . . 4.300 3.006 1.952 3.832 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL H 1 5 VAL MG2 . . 4.300 2.487 1.900 3.776 . 0 0 "[ . 1 . 2]" 1
22 1 16 ARG H 1 16 ARG QD . . 5.500 3.983 2.089 4.879 . 0 0 "[ . 1 . 2]" 1
23 1 16 ARG H 1 16 ARG HB3 . . 3.930 3.133 2.686 3.727 . 0 0 "[ . 1 . 2]" 1
24 1 16 ARG H 1 16 ARG HB2 . . 3.930 2.926 2.386 3.762 . 0 0 "[ . 1 . 2]" 1
25 1 15 CYS HA 1 16 ARG H . . 3.060 2.267 2.187 2.477 . 0 0 "[ . 1 . 2]" 1
26 1 3 ASP H 1 3 ASP HB3 . . 4.130 3.466 2.787 3.804 . 0 0 "[ . 1 . 2]" 1
27 1 3 ASP H 1 3 ASP HB2 . . 4.130 2.935 2.181 3.978 . 0 0 "[ . 1 . 2]" 1
28 1 14 CYS HA 1 24 CYS H . . 4.810 3.076 2.433 3.496 . 0 0 "[ . 1 . 2]" 1
29 1 15 CYS H 1 24 CYS H . . 5.440 3.083 2.527 3.819 . 0 0 "[ . 1 . 2]" 1
30 1 14 CYS HA 1 23 CYS HA . . 4.280 2.156 1.996 3.179 . 0 0 "[ . 1 . 2]" 1
31 1 15 CYS H 1 23 CYS HA . . 4.400 2.588 2.259 3.608 . 0 0 "[ . 1 . 2]" 1
32 1 15 CYS H 1 21 TYR QD . . 5.500 5.269 4.767 5.502 0.002 15 0 "[ . 1 . 2]" 1
33 1 11 GLY H 1 12 GLN H . . 3.420 3.354 3.280 3.403 . 0 0 "[ . 1 . 2]" 1
34 1 15 CYS H 1 22 GLY H . . 4.330 3.776 3.350 4.132 . 0 0 "[ . 1 . 2]" 1
35 1 10 PRO HB2 1 11 GLY H . . 3.840 2.707 2.330 2.933 . 0 0 "[ . 1 . 2]" 1
36 1 10 PRO HB3 1 11 GLY H . . 4.270 3.507 3.319 3.629 . 0 0 "[ . 1 . 2]" 1
37 1 21 TYR QD 1 22 GLY H . . 4.690 3.783 3.034 4.284 . 0 0 "[ . 1 . 2]" 1
38 1 10 PRO HA 1 11 GLY H . . 2.680 2.371 2.290 2.524 . 0 0 "[ . 1 . 2]" 1
39 1 21 TYR HA 1 22 GLY H . . 3.110 2.161 2.145 2.219 . 0 0 "[ . 1 . 2]" 1
40 1 21 TYR HB2 1 22 GLY H . . 4.710 4.323 4.071 4.437 . 0 0 "[ . 1 . 2]" 1
41 1 21 TYR HB3 1 22 GLY H . . 4.710 3.306 3.048 3.469 . 0 0 "[ . 1 . 2]" 1
42 1 16 ARG HA 1 17 GLY H . . 3.220 2.741 2.178 2.886 . 0 0 "[ . 1 . 2]" 1
43 1 17 GLY H 1 21 TYR HA . . 4.980 4.922 4.337 4.997 0.017 14 0 "[ . 1 . 2]" 1
44 1 7 THR HB 1 8 CYS H . . 4.120 3.412 1.993 4.143 0.023 20 0 "[ . 1 . 2]" 1
45 1 3 ASP H 1 4 PRO QD . . 4.880 3.866 2.288 4.370 . 0 0 "[ . 1 . 2]" 1
46 1 21 TYR HA 1 21 TYR QD . . 4.330 2.855 2.474 3.099 . 0 0 "[ . 1 . 2]" 1
47 1 6 TYR HA 1 6 TYR QD . . 4.000 2.622 2.074 3.108 . 0 0 "[ . 1 . 2]" 1
48 1 16 ARG HA 1 21 TYR QD . . 4.920 3.762 3.117 4.685 . 0 0 "[ . 1 . 2]" 1
49 1 9 ARG HB3 1 10 PRO HD2 . . 3.940 2.206 1.976 3.108 . 0 0 "[ . 1 . 2]" 1
50 1 6 TYR H 1 7 THR HA . . 5.370 5.212 4.723 5.371 0.001 12 0 "[ . 1 . 2]" 1
51 1 5 VAL HB 1 6 TYR H . . 4.600 3.635 2.713 4.293 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL MG2 1 6 TYR H . . 4.970 3.577 1.930 4.205 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL MG1 1 6 TYR H . . 4.970 3.161 2.000 4.079 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR HA 1 7 THR H . . 3.380 2.223 2.139 2.405 . 0 0 "[ . 1 . 2]" 1
55 1 6 TYR HB3 1 7 THR H . . 4.820 3.427 2.477 3.927 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR HB2 1 7 THR H . . 4.820 4.274 3.604 4.590 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR HG1 1 8 CYS H . . 4.180 2.792 1.951 4.152 . 0 0 "[ . 1 . 2]" 1
58 1 9 ARG H 1 12 GLN HB3 . . 5.290 5.107 4.303 5.302 0.012 9 0 "[ . 1 . 2]" 1
59 1 9 ARG H 1 12 GLN HB2 . . 5.290 4.555 3.859 5.287 . 0 0 "[ . 1 . 2]" 1
60 1 8 CYS HA 1 9 ARG H . . 3.220 2.572 2.457 2.720 . 0 0 "[ . 1 . 2]" 1
61 1 3 ASP HA 1 4 PRO QD . . 3.000 2.127 2.027 2.157 . 0 0 "[ . 1 . 2]" 1
62 1 9 ARG HA 1 10 PRO HD3 . . 2.800 2.338 2.312 2.351 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG HA 1 10 PRO HD2 . . 3.440 2.491 2.434 2.516 . 0 0 "[ . 1 . 2]" 1
64 1 16 ARG HA 1 21 TYR HA . . 4.070 3.019 2.510 3.876 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG HB2 1 10 PRO HD2 . . 3.940 3.270 1.974 3.614 . 0 0 "[ . 1 . 2]" 1
66 1 9 ARG QG 1 10 PRO HD2 . . 3.980 3.016 2.231 3.972 . 0 0 "[ . 1 . 2]" 1
67 1 9 ARG QG 1 10 PRO HD3 . . 4.850 3.898 3.210 4.851 0.001 15 0 "[ . 1 . 2]" 1
68 1 5 VAL H 1 6 TYR H . . 4.770 4.546 4.239 4.638 . 0 0 "[ . 1 . 2]" 1
69 1 6 TYR H 1 6 TYR QD . . 4.170 2.924 2.009 3.775 . 0 0 "[ . 1 . 2]" 1
70 1 6 TYR H 1 7 THR H . . 5.180 4.335 4.004 4.564 . 0 0 "[ . 1 . 2]" 1
71 1 7 THR HA 1 7 THR HG1 . . 3.710 3.447 2.450 3.707 . 0 0 "[ . 1 . 2]" 1
72 1 13 THR HA 1 13 THR HG1 . . 3.710 2.671 2.200 3.644 . 0 0 "[ . 1 . 2]" 1
73 1 13 THR HA 1 14 CYS H . . 3.040 2.223 2.186 2.238 . 0 0 "[ . 1 . 2]" 1
74 1 13 THR HG1 1 14 CYS H . . 3.870 2.650 2.079 3.851 . 0 0 "[ . 1 . 2]" 1
75 1 16 ARG HA 1 16 ARG QD . . 4.590 3.891 2.693 4.456 . 0 0 "[ . 1 . 2]" 1
76 1 19 HIS H 1 20 GLY H . . 4.930 2.803 2.786 2.847 . 0 0 "[ . 1 . 2]" 1
77 1 21 TYR H 1 21 TYR QD . . 4.310 2.500 1.951 2.994 . 0 0 "[ . 1 . 2]" 1
78 1 24 CYS H 1 24 CYS QB . . 3.700 2.870 2.424 3.167 . 0 0 "[ . 1 . 2]" 1
79 1 14 CYS HA 1 15 CYS H . . 3.230 2.175 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
80 1 8 CYS HB2 1 9 ARG H . . 3.660 3.446 2.900 3.664 0.004 20 0 "[ . 1 . 2]" 1
81 1 21 TYR H 1 22 GLY H . . 4.620 4.553 4.495 4.622 0.002 19 0 "[ . 1 . 2]" 1
82 1 3 ASP H 1 3 ASP QB . . 3.450 2.664 2.160 3.446 . 0 0 "[ . 1 . 2]" 1
83 1 5 VAL H 1 5 VAL QG . . 3.530 2.098 1.876 2.507 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL QG 1 6 TYR H . . 4.320 2.683 1.923 3.633 . 0 0 "[ . 1 . 2]" 1
85 1 6 TYR H 1 6 TYR QB . . 3.540 2.412 2.165 2.648 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR QB 1 7 THR H . . 4.070 3.277 2.449 3.716 . 0 0 "[ . 1 . 2]" 1
87 1 8 CYS H 1 8 CYS QB . . 3.610 2.367 2.160 2.747 . 0 0 "[ . 1 . 2]" 1
88 1 8 CYS QB 1 9 ARG H . . 3.110 2.096 1.916 2.280 . 0 0 "[ . 1 . 2]" 1
89 1 9 ARG QB 1 10 PRO HD2 . . 3.340 1.987 1.950 2.067 . 0 0 "[ . 1 . 2]" 1
90 1 9 ARG QB 1 10 PRO HD3 . . 4.210 3.342 3.241 3.416 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HB2 1 11 GLY QA . . 4.580 3.666 3.557 3.734 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLN H 1 12 GLN QG . . 4.140 3.360 2.303 4.062 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLN QB 1 12 GLN QE . . 3.260 2.756 1.929 3.247 . 0 0 "[ . 1 . 2]" 1
94 1 14 CYS QB 1 21 TYR QD . . 5.260 4.738 3.973 5.260 0.000 17 0 "[ . 1 . 2]" 1
95 1 15 CYS H 1 15 CYS QB . . 3.520 3.010 2.775 3.124 . 0 0 "[ . 1 . 2]" 1
96 1 15 CYS QB 1 16 ARG H . . 3.420 2.751 2.241 2.996 . 0 0 "[ . 1 . 2]" 1
97 1 16 ARG H 1 16 ARG QG . . 4.040 3.149 2.073 4.053 0.013 9 0 "[ . 1 . 2]" 1
98 1 19 HIS H 1 19 HIS QB . . 3.530 2.373 2.133 2.599 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLY QA 1 21 TYR H . . 3.100 2.162 2.138 2.279 . 0 0 "[ . 1 . 2]" 1
100 1 20 GLY QA 1 21 TYR QD . . 5.150 3.861 3.355 4.434 . 0 0 "[ . 1 . 2]" 1
101 1 21 TYR H 1 21 TYR QB . . 3.490 2.292 2.203 2.595 . 0 0 "[ . 1 . 2]" 1
102 1 21 TYR QB 1 22 GLY H . . 3.850 3.207 2.981 3.352 . 0 0 "[ . 1 . 2]" 1
103 1 22 GLY QA 1 23 CYS H . . 2.970 2.275 2.255 2.281 . 0 0 "[ . 1 . 2]" 1
104 1 23 CYS H 1 23 CYS QB . . 3.260 2.943 2.764 3.088 . 0 0 "[ . 1 . 2]" 1
105 1 23 CYS QB 1 24 CYS H . . 4.390 3.219 2.923 3.436 . 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 8
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 6.647
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0107
_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 10 PRO 0.105 0.034 9 0 "[ . 1 . 2]"
1 12 GLN 0.105 0.034 9 0 "[ . 1 . 2]"
1 13 THR 0.023 0.009 9 0 "[ . 1 . 2]"
1 15 CYS 0.205 0.058 19 0 "[ . 1 . 2]"
1 22 GLY 0.205 0.058 19 0 "[ . 1 . 2]"
1 24 CYS 0.023 0.009 9 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 15 CYS O 1 22 GLY H . . 2.200 2.209 2.186 2.258 0.058 19 0 "[ . 1 . 2]" 2
2 1 15 CYS O 1 22 GLY N . . 3.200 3.136 3.041 3.194 . 0 0 "[ . 1 . 2]" 2
3 1 15 CYS H 1 22 GLY O . . 2.200 1.935 1.802 2.204 0.004 9 0 "[ . 1 . 2]" 2
4 1 15 CYS N 1 22 GLY O . . 3.200 2.799 2.745 3.163 . 0 0 "[ . 1 . 2]" 2
5 1 13 THR O 1 24 CYS H . . 2.200 2.081 1.825 2.209 0.009 9 0 "[ . 1 . 2]" 2
6 1 13 THR O 1 24 CYS N . . 3.200 2.912 2.745 3.132 . 0 0 "[ . 1 . 2]" 2
7 1 10 PRO O 1 12 GLN H . . 2.200 2.197 2.146 2.234 0.034 9 0 "[ . 1 . 2]" 2
8 1 10 PRO O 1 12 GLN N . . 3.200 3.029 2.988 3.051 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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