NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385868 |
1lb0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lb0
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 129
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.416
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_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 GLU 0.000 0.000 . 0 "[ ]"
1 3 LEU 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.000 0.000 . 0 "[ ]"
1 5 LEU 0.164 0.164 1 0 "[ ]"
1 6 ASP 0.011 0.011 1 0 "[ ]"
1 7 LYS 0.157 0.072 1 0 "[ ]"
1 8 TRP 0.098 0.072 1 0 "[ ]"
1 9 ALA 0.003 0.003 1 0 "[ ]"
1 10 SER 0.042 0.042 1 0 "[ ]"
1 11 LEU 0.093 0.042 1 0 "[ ]"
1 12 TRP 0.051 0.032 1 0 "[ ]"
1 13 ASN 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 10 SER QB 1 11 LEU HA 4.190 . 5.447 4.042 4.042 4.042 . 0 0 "[ ]" 1
2 1 7 LYS HA 1 10 SER QB 3.920 . 5.096 4.772 4.772 4.772 . 0 0 "[ ]" 1
3 1 10 SER H 1 10 SER QB 3.300 . 4.290 2.145 2.145 2.145 . 0 0 "[ ]" 1
4 1 8 TRP HA 1 10 SER H 4.010 . 5.213 3.556 3.556 3.556 . 0 0 "[ ]" 1
5 1 9 ALA HA 1 10 SER H 2.850 . 3.705 3.483 3.483 3.483 . 0 0 "[ ]" 1
6 1 9 ALA MB 1 10 SER H 3.350 . 4.355 2.887 2.887 2.887 . 0 0 "[ ]" 1
7 1 9 ALA H 1 10 SER H 3.850 . 5.005 2.657 2.657 2.657 . 0 0 "[ ]" 1
8 1 11 LEU HA 1 11 LEU QB 2.280 . 2.964 2.244 2.244 2.244 . 0 0 "[ ]" 1
9 1 11 LEU HA 1 11 LEU HG 2.670 . 3.471 3.283 3.283 3.283 . 0 0 "[ ]" 1
10 1 10 SER HA 1 11 LEU H 2.550 . 3.315 3.357 3.357 3.357 0.042 1 0 "[ ]" 1
11 1 10 SER QB 1 11 LEU H 3.440 . 4.472 3.231 3.231 3.231 . 0 0 "[ ]" 1
12 1 10 SER H 1 11 LEU H 4.140 . 5.382 2.581 2.581 2.581 . 0 0 "[ ]" 1
13 1 11 LEU H 1 11 LEU HA 2.900 . 3.770 2.900 2.900 2.900 . 0 0 "[ ]" 1
14 1 11 LEU H 1 11 LEU QB 2.710 . 3.523 2.706 2.706 2.706 . 0 0 "[ ]" 1
15 1 11 LEU H 1 11 LEU QD 3.840 . 4.992 2.935 2.935 2.935 . 0 0 "[ ]" 1
16 1 11 LEU H 1 11 LEU HG 3.090 . 4.017 1.945 1.945 1.945 . 0 0 "[ ]" 1
17 1 11 LEU H 1 12 TRP H 3.020 . 3.926 2.446 2.446 2.446 . 0 0 "[ ]" 1
18 1 8 TRP HA 1 11 LEU H 4.140 . 5.382 3.559 3.559 3.559 . 0 0 "[ ]" 1
19 1 9 ALA HA 1 11 LEU H 4.020 . 5.226 3.600 3.600 3.600 . 0 0 "[ ]" 1
20 1 10 SER HA 1 12 TRP H 3.590 . 4.667 3.476 3.476 3.476 . 0 0 "[ ]" 1
21 1 10 SER QB 1 12 TRP H 4.000 . 5.200 4.609 4.609 4.609 . 0 0 "[ ]" 1
22 1 11 LEU HA 1 12 TRP H 2.490 . 3.237 3.269 3.269 3.269 0.032 1 0 "[ ]" 1
23 1 11 LEU QB 1 12 TRP H 4.000 . 5.200 3.422 3.422 3.422 . 0 0 "[ ]" 1
24 1 11 LEU QD 1 12 TRP H 3.930 . 5.109 4.263 4.263 4.263 . 0 0 "[ ]" 1
25 1 11 LEU HG 1 12 TRP H 3.220 . 4.186 4.206 4.206 4.206 0.020 1 0 "[ ]" 1
26 1 12 TRP H 1 12 TRP HA 2.710 . 3.523 2.940 2.940 2.940 . 0 0 "[ ]" 1
27 1 12 TRP H 1 12 TRP QB 2.720 . 3.536 2.590 2.590 2.590 . 0 0 "[ ]" 1
28 1 9 ALA HA 1 12 TRP H 3.710 . 4.823 3.852 3.852 3.852 . 0 0 "[ ]" 1
29 1 10 SER HA 1 13 ASN H 4.240 . 5.512 3.950 3.950 3.950 . 0 0 "[ ]" 1
30 1 11 LEU HA 1 13 ASN H 4.060 . 5.278 3.874 3.874 3.874 . 0 0 "[ ]" 1
31 1 12 TRP HA 1 13 ASN H 2.560 . 3.328 2.909 2.909 2.909 . 0 0 "[ ]" 1
32 1 12 TRP QB 1 13 ASN H 3.410 . 4.433 3.797 3.797 3.797 . 0 0 "[ ]" 1
33 1 12 TRP H 1 13 ASN H 2.860 . 3.718 2.438 2.438 2.438 . 0 0 "[ ]" 1
34 1 13 ASN H 1 13 ASN HA 2.860 . 3.718 2.816 2.816 2.816 . 0 0 "[ ]" 1
35 1 13 ASN H 1 13 ASN QB 3.180 . 4.134 2.954 2.954 2.954 . 0 0 "[ ]" 1
36 1 3 LEU H 1 3 LEU QB 3.090 . 4.017 2.427 2.427 2.427 . 0 0 "[ ]" 1
37 1 3 LEU H 1 3 LEU QD 4.100 . 5.330 3.151 3.151 3.151 . 0 0 "[ ]" 1
38 1 3 LEU QB 1 4 GLU QB 3.740 . 4.862 4.746 4.746 4.746 . 0 0 "[ ]" 1
39 1 3 LEU HA 1 4 GLU H 2.520 . 3.276 2.146 2.146 2.146 . 0 0 "[ ]" 1
40 1 3 LEU QB 1 4 GLU H 3.350 . 4.355 3.207 3.207 3.207 . 0 0 "[ ]" 1
41 1 3 LEU QD 1 4 GLU H 4.060 . 5.278 3.536 3.536 3.536 . 0 0 "[ ]" 1
42 1 4 GLU H 1 4 GLU QB 3.070 . 3.991 2.186 2.186 2.186 . 0 0 "[ ]" 1
43 1 4 GLU H 1 4 GLU QG 3.640 . 4.732 2.998 2.998 2.998 . 0 0 "[ ]" 1
44 1 4 GLU H 1 5 LEU H 3.610 . 4.693 2.389 2.389 2.389 . 0 0 "[ ]" 1
45 1 5 LEU HA 1 6 ASP HA 3.880 . 5.044 4.693 4.693 4.693 . 0 0 "[ ]" 1
46 1 5 LEU QB 1 6 ASP HA 4.000 . 5.200 4.543 4.543 4.543 . 0 0 "[ ]" 1
47 1 5 LEU HA 1 5 LEU HG 2.590 . 3.367 3.531 3.531 3.531 0.164 1 0 "[ ]" 1
48 1 5 LEU HG 1 6 ASP HA 3.540 . 4.602 4.250 4.250 4.250 . 0 0 "[ ]" 1
49 1 3 LEU HA 1 5 LEU H 4.050 . 5.265 3.734 3.734 3.734 . 0 0 "[ ]" 1
50 1 4 GLU QB 1 5 LEU H 3.280 . 4.264 2.876 2.876 2.876 . 0 0 "[ ]" 1
51 1 4 GLU QG 1 5 LEU H 4.250 . 5.525 4.407 4.407 4.407 . 0 0 "[ ]" 1
52 1 5 LEU H 1 5 LEU HA 2.250 . 2.925 2.891 2.891 2.891 . 0 0 "[ ]" 1
53 1 5 LEU H 1 5 LEU QB 2.370 . 3.081 2.770 2.770 2.770 . 0 0 "[ ]" 1
54 1 5 LEU H 1 5 LEU QD 3.500 . 4.550 2.341 2.341 2.341 . 0 0 "[ ]" 1
55 1 5 LEU H 1 5 LEU HG 2.810 . 3.653 1.936 1.936 1.936 . 0 0 "[ ]" 1
56 1 5 LEU H 1 6 ASP H 3.900 . 5.070 2.752 2.752 2.752 . 0 0 "[ ]" 1
57 1 3 LEU QD 1 6 ASP H 3.740 . 4.862 4.355 4.355 4.355 . 0 0 "[ ]" 1
58 1 5 LEU HA 1 6 ASP H 2.420 . 3.146 3.088 3.088 3.088 . 0 0 "[ ]" 1
59 1 5 LEU QB 1 6 ASP H 3.070 . 3.991 3.981 3.981 3.981 . 0 0 "[ ]" 1
60 1 5 LEU QD 1 6 ASP H 3.920 . 5.096 3.926 3.926 3.926 . 0 0 "[ ]" 1
61 1 5 LEU HG 1 6 ASP H 3.100 . 4.030 3.409 3.409 3.409 . 0 0 "[ ]" 1
62 1 6 ASP H 1 6 ASP HA 2.790 . 3.627 2.866 2.866 2.866 . 0 0 "[ ]" 1
63 1 6 ASP H 1 6 ASP QB 2.590 . 3.367 2.583 2.583 2.583 . 0 0 "[ ]" 1
64 1 6 ASP HA 1 7 LYS HA 3.710 . 4.823 4.771 4.771 4.771 . 0 0 "[ ]" 1
65 1 7 LYS HA 1 8 TRP HA 3.740 . 4.862 4.697 4.697 4.697 . 0 0 "[ ]" 1
66 1 7 LYS QB 1 8 TRP HA 3.840 . 4.992 4.119 4.119 4.119 . 0 0 "[ ]" 1
67 1 7 LYS HA 1 7 LYS QG 2.810 . 3.653 2.321 2.321 2.321 . 0 0 "[ ]" 1
68 1 4 GLU HA 1 7 LYS H 3.930 . 5.109 5.094 5.094 5.094 . 0 0 "[ ]" 1
69 1 6 ASP HA 1 7 LYS H 2.540 . 3.302 3.313 3.313 3.313 0.011 1 0 "[ ]" 1
70 1 6 ASP QB 1 7 LYS H 3.140 . 4.082 3.845 3.845 3.845 . 0 0 "[ ]" 1
71 1 6 ASP H 1 7 LYS H 3.660 . 4.758 2.569 2.569 2.569 . 0 0 "[ ]" 1
72 1 7 LYS H 1 7 LYS HA 2.910 . 3.783 2.826 2.826 2.826 . 0 0 "[ ]" 1
73 1 7 LYS H 1 7 LYS QB 2.610 . 3.393 2.204 2.204 2.204 . 0 0 "[ ]" 1
74 1 7 LYS H 1 7 LYS QG 2.970 . 3.861 3.911 3.911 3.911 0.050 1 0 "[ ]" 1
75 1 7 LYS H 1 8 TRP H 3.250 . 4.225 2.598 2.598 2.598 . 0 0 "[ ]" 1
76 1 8 TRP HA 1 8 TRP QB 2.530 . 3.289 2.499 2.499 2.499 . 0 0 "[ ]" 1
77 1 5 LEU HA 1 8 TRP H 4.180 . 5.434 4.384 4.384 4.384 . 0 0 "[ ]" 1
78 1 6 ASP HA 1 8 TRP H 3.480 . 4.524 3.314 3.314 3.314 . 0 0 "[ ]" 1
79 1 6 ASP QB 1 8 TRP H 3.620 . 4.706 4.605 4.605 4.605 . 0 0 "[ ]" 1
80 1 7 LYS HA 1 8 TRP H 2.520 . 3.276 3.348 3.348 3.348 0.072 1 0 "[ ]" 1
81 1 7 LYS QB 1 8 TRP H 2.800 . 3.640 3.180 3.180 3.180 . 0 0 "[ ]" 1
82 1 7 LYS QG 1 8 TRP H 3.310 . 4.303 4.326 4.326 4.326 0.023 1 0 "[ ]" 1
83 1 8 TRP H 1 8 TRP HA 2.600 . 3.380 2.880 2.880 2.880 . 0 0 "[ ]" 1
84 1 8 TRP H 1 8 TRP QB 2.570 . 3.341 2.155 2.155 2.155 . 0 0 "[ ]" 1
85 1 8 TRP H 1 9 ALA MB 3.750 . 4.875 4.138 4.138 4.138 . 0 0 "[ ]" 1
86 1 8 TRP H 1 9 ALA H 2.990 . 3.887 2.544 2.544 2.544 . 0 0 "[ ]" 1
87 1 6 ASP HA 1 9 ALA H 4.030 . 5.239 3.984 3.984 3.984 . 0 0 "[ ]" 1
88 1 6 ASP QB 1 9 ALA H 3.800 . 4.940 4.535 4.535 4.535 . 0 0 "[ ]" 1
89 1 7 LYS HA 1 9 ALA H 3.760 . 4.888 3.388 3.388 3.388 . 0 0 "[ ]" 1
90 1 7 LYS QB 1 9 ALA H 4.140 . 5.382 4.597 4.597 4.597 . 0 0 "[ ]" 1
91 1 8 TRP HA 1 9 ALA H 2.530 . 3.289 3.292 3.292 3.292 0.003 1 0 "[ ]" 1
92 1 8 TRP QB 1 9 ALA H 3.160 . 4.108 3.391 3.391 3.391 . 0 0 "[ ]" 1
93 1 9 ALA H 1 9 ALA HA 2.740 . 3.562 2.801 2.801 2.801 . 0 0 "[ ]" 1
94 1 9 ALA H 1 9 ALA MB 2.530 . 3.289 2.100 2.100 2.100 . 0 0 "[ ]" 1
95 1 10 SER HA 1 10 SER QB 2.490 . 3.237 2.504 2.504 2.504 . 0 0 "[ ]" 1
96 1 1 GLU HA 1 3 LEU QB 4.210 . 5.473 4.881 4.881 4.881 . 0 0 "[ ]" 1
97 1 10 SER HA 1 11 LEU QD 4.170 . 5.421 4.786 4.786 4.786 . 0 0 "[ ]" 1
98 1 10 SER HA 1 13 ASN QB 4.660 . 6.058 3.511 3.511 3.511 . 0 0 "[ ]" 1
99 1 9 ALA MB 1 10 SER HA 4.260 . 5.538 3.846 3.846 3.846 . 0 0 "[ ]" 1
100 1 11 LEU HA 1 11 LEU QD 2.780 . 3.614 2.229 2.229 2.229 . 0 0 "[ ]" 1
101 1 11 LEU QB 1 12 TRP QB 4.730 . 6.149 3.629 3.629 3.629 . 0 0 "[ ]" 1
102 1 11 LEU QD 1 12 TRP QB 4.820 . 6.266 4.655 4.655 4.655 . 0 0 "[ ]" 1
103 1 1 GLU QG 1 3 LEU HA 4.710 . 6.123 5.527 5.527 5.527 . 0 0 "[ ]" 1
104 1 3 LEU HA 1 3 LEU QD 2.720 . 3.536 2.263 2.263 2.263 . 0 0 "[ ]" 1
105 1 4 GLU HA 1 4 GLU QG 3.260 . 4.238 2.114 2.114 2.114 . 0 0 "[ ]" 1
106 1 5 LEU HA 1 5 LEU QD 2.710 . 3.523 3.444 3.444 3.444 . 0 0 "[ ]" 1
107 1 5 LEU HA 1 6 ASP QB 4.670 . 6.071 5.234 5.234 5.234 . 0 0 "[ ]" 1
108 1 5 LEU HA 1 8 TRP QB 4.570 . 5.941 4.924 4.924 4.924 . 0 0 "[ ]" 1
109 1 5 LEU QB 1 5 LEU QD 2.570 . 3.341 1.806 1.806 1.806 . 0 0 "[ ]" 1
110 1 3 LEU QB 1 6 ASP HA 4.340 . 5.642 3.711 3.711 3.711 . 0 0 "[ ]" 1
111 1 6 ASP HA 1 6 ASP QB 2.510 . 3.263 2.185 2.185 2.185 . 0 0 "[ ]" 1
112 1 6 ASP HA 1 7 LYS QG 5.010 . 6.513 6.311 6.311 6.311 . 0 0 "[ ]" 1
113 1 3 LEU QB 1 6 ASP QB 4.210 . 5.473 2.015 2.015 2.015 . 0 0 "[ ]" 1
114 1 3 LEU QD 1 6 ASP QB 4.430 . 5.759 2.948 2.948 2.948 . 0 0 "[ ]" 1
115 1 6 ASP QB 1 7 LYS QG 4.800 . 6.240 5.994 5.994 5.994 . 0 0 "[ ]" 1
116 1 6 ASP QB 1 9 ALA MB 3.300 . 4.290 3.719 3.719 3.719 . 0 0 "[ ]" 1
117 1 6 ASP QB 1 7 LYS HA 4.590 . 5.967 4.551 4.551 4.551 . 0 0 "[ ]" 1
118 1 7 LYS HA 1 7 LYS QB 2.570 . 3.341 2.436 2.436 2.436 . 0 0 "[ ]" 1
119 1 7 LYS HA 1 7 LYS QE 4.400 . 5.720 4.426 4.426 4.426 . 0 0 "[ ]" 1
120 1 7 LYS HA 1 9 ALA MB 4.940 . 6.422 3.848 3.848 3.848 . 0 0 "[ ]" 1
121 1 7 LYS QB 1 7 LYS QE 2.900 . 3.770 3.557 3.557 3.557 . 0 0 "[ ]" 1
122 1 8 TRP HA 1 11 LEU QB 4.240 . 5.512 4.092 4.092 4.092 . 0 0 "[ ]" 1
123 1 8 TRP HA 1 11 LEU QD 3.750 . 4.875 2.279 2.279 2.279 . 0 0 "[ ]" 1
124 1 7 LYS QG 1 8 TRP HA 4.810 . 6.253 4.356 4.356 4.356 . 0 0 "[ ]" 1
125 1 8 TRP QB 1 11 LEU QB 4.380 . 5.694 3.612 3.612 3.612 . 0 0 "[ ]" 1
126 1 8 TRP QB 1 11 LEU QD 4.300 . 5.590 1.966 1.966 1.966 . 0 0 "[ ]" 1
127 1 5 LEU QB 1 8 TRP QB 4.470 . 5.811 4.067 4.067 4.067 . 0 0 "[ ]" 1
128 1 5 LEU QD 1 8 TRP QB 4.470 . 5.811 4.035 4.035 4.035 . 0 0 "[ ]" 1
129 1 6 ASP QB 1 9 ALA HA 4.790 . 6.227 5.826 5.826 5.826 . 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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 6 ASP 0.000 0.000 . 0 "[ ]"
1 9 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 6 ASP O 1 9 ALA H 2.150 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 2
2 1 6 ASP O 1 9 ALA N 2.950 2.400 3.500 3.142 3.142 3.142 . 0 0 "[ ]" 2
stop_
save_
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