Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429580 | 2jmf RC | 15016 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jmf
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 106
_Distance_constraint_stats_list.Viol_count 215
_Distance_constraint_stats_list.Viol_total 3857.261
_Distance_constraint_stats_list.Viol_max 2.515
_Distance_constraint_stats_list.Viol_rms 0.3142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0910
_Distance_constraint_stats_list.Viol_average_violations_only 0.8970
_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 11 VAL 9.249 0.763 3 11 "[* + . * *** * *- * *]"
1 12 SER 9.249 0.763 3 11 "[* + . * *** * *- * *]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 13.140 1.002 7 15 "[*** * +**** *** * *-]"
1 15 ASN 13.140 1.002 7 15 "[*** * +**** *** * *-]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 11.476 0.647 17 18 "[***-.** ********+***]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TRP 80.760 2.515 13 20 [***-********+*******]
1 24 GLU 27.976 1.518 10 20 [*******-*+**********]
1 25 ILE 40.742 2.515 13 20 [************+*****-*]
1 26 ARG 0.111 0.083 19 0 "[ . 1 . 2]"
1 27 TYR 19.160 1.470 18 18 "[** -*************+ *]"
1 28 THR 12.739 1.254 10 15 "[***** * +*- ***** *]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 19.160 1.470 18 18 "[** -*************+ *]"
1 34 PHE 0.111 0.083 19 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 17.829 1.096 8 20 [*******+****-*******]
1 37 ASP 0.555 0.390 19 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASN 0.012 0.012 4 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 39.874 1.448 19 20 [******************+*]
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 GLN 12.739 1.254 10 15 "[***** * +*- ***** *]"
2 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 TYR 38.442 1.448 19 20 [******-***********+*]
2 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 ASP 19.262 1.137 14 20 [*************+****-*]
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 LYS 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 43 THR MG 1 44 THR H . . 5.500 3.620 3.484 3.762 . 0 0 "[ . 1 . 2]" 1
2 1 43 THR HB 1 44 THR H . . 5.500 2.511 2.388 2.673 . 0 0 "[ . 1 . 2]" 1
3 1 28 THR H 1 32 GLU QB . . 5.500 3.918 3.649 4.177 . 0 0 "[ . 1 . 2]" 1
4 1 27 TYR QD 1 28 THR H . . 5.500 4.763 4.636 4.854 . 0 0 "[ . 1 . 2]" 1
5 1 27 TYR H 1 28 THR H . . 5.500 4.076 3.917 4.247 . 0 0 "[ . 1 . 2]" 1
6 1 27 TYR HB2 1 28 THR H . . 5.500 4.465 4.354 4.542 . 0 0 "[ . 1 . 2]" 1
7 1 27 TYR HB3 1 28 THR H . . 5.500 3.807 3.625 3.952 . 0 0 "[ . 1 . 2]" 1
8 1 46 GLU QB 1 47 ASP H . . 5.500 2.065 2.012 2.152 . 0 0 "[ . 1 . 2]" 1
9 2 20 ILE QG 2 21 LYS H . . 5.500 3.317 2.625 3.874 . 0 0 "[ . 1 . 2]" 1
10 1 45 PHE H 1 46 GLU QB . . 5.500 4.658 4.475 4.831 . 0 0 "[ . 1 . 2]" 1
11 1 44 THR HB 1 45 PHE H . . 5.500 3.737 3.624 3.855 . 0 0 "[ . 1 . 2]" 1
12 1 11 VAL QG 1 12 SER H . . 5.500 2.766 2.052 3.199 . 0 0 "[ . 1 . 2]" 1
13 1 11 VAL HB 1 12 SER H . . 5.500 3.014 2.430 3.988 . 0 0 "[ . 1 . 2]" 1
14 1 35 PHE QB 1 36 VAL H . . 5.500 2.720 2.608 2.789 . 0 0 "[ . 1 . 2]" 1
15 1 35 PHE QD 1 36 VAL H . . 5.500 3.945 3.669 4.082 . 0 0 "[ . 1 . 2]" 1
16 1 42 ARG HB3 1 43 THR H . . 5.500 2.605 2.256 3.734 . 0 0 "[ . 1 . 2]" 1
17 1 42 ARG HB2 1 43 THR H . . 5.500 3.534 2.263 3.859 . 0 0 "[ . 1 . 2]" 1
18 2 14 PRO QD 2 15 SER H . . 5.500 4.908 4.847 4.963 . 0 0 "[ . 1 . 2]" 1
19 1 37 ASP HA 1 39 ASN H . . 5.500 3.511 3.347 3.594 . 0 0 "[ . 1 . 2]" 1
20 1 39 ASN H 1 40 THR MG . . 5.500 4.520 4.243 4.644 . 0 0 "[ . 1 . 2]" 1
21 1 42 ARG H 1 43 THR H . . 5.500 4.623 4.600 4.650 . 0 0 "[ . 1 . 2]" 1
22 1 40 THR HA 1 42 ARG H . . 5.500 4.408 4.287 4.536 . 0 0 "[ . 1 . 2]" 1
23 1 40 THR HB 1 42 ARG H . . 5.500 4.036 3.685 5.050 . 0 0 "[ . 1 . 2]" 1
24 1 37 ASP H 1 42 ARG H . . 5.500 4.174 3.897 4.344 . 0 0 "[ . 1 . 2]" 1
25 1 40 THR H 1 42 ARG H . . 5.500 3.347 3.255 3.478 . 0 0 "[ . 1 . 2]" 1
26 1 38 HIS H 1 39 ASN H . . 5.500 2.713 2.585 2.957 . 0 0 "[ . 1 . 2]" 1
27 2 16 TYR QB 2 17 GLU H . . 5.500 1.954 1.869 2.012 . 0 0 "[ . 1 . 2]" 1
28 2 16 TYR HD2 2 17 GLU H . . 5.500 2.361 2.186 2.737 . 0 0 "[ . 1 . 2]" 1
29 1 17 GLY H 1 18 PRO QD . . 5.500 4.309 4.186 4.384 . 0 0 "[ . 1 . 2]" 1
30 1 37 ASP H 1 43 THR HA . . 5.500 3.251 3.044 3.348 . 0 0 "[ . 1 . 2]" 1
31 1 36 VAL MG2 1 37 ASP H . . 5.500 4.143 4.074 4.239 . 0 0 "[ . 1 . 2]" 1
32 1 36 VAL MG1 1 37 ASP H . . 5.500 2.862 2.704 3.082 . 0 0 "[ . 1 . 2]" 1
33 1 37 ASP H 1 43 THR MG . . 5.500 3.341 3.189 3.470 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU QB 1 14 ILE H . . 5.500 4.055 4.041 4.098 . 0 0 "[ . 1 . 2]" 1
35 1 14 ILE H 1 15 ASN H . . 5.500 1.950 1.800 2.754 . 0 0 "[ . 1 . 2]" 1
36 1 46 GLU H 1 47 ASP H . . 5.500 4.383 4.327 4.526 . 0 0 "[ . 1 . 2]" 1
37 1 45 PHE H 1 46 GLU H . . 5.500 2.445 2.327 2.553 . 0 0 "[ . 1 . 2]" 1
38 1 44 THR HA 1 46 GLU H . . 5.500 4.068 3.892 4.273 . 0 0 "[ . 1 . 2]" 1
39 1 45 PHE HB3 1 46 GLU H . . 5.500 3.766 2.569 4.338 . 0 0 "[ . 1 . 2]" 1
40 1 44 THR MG 1 46 GLU H . . 5.500 2.989 2.684 4.050 . 0 0 "[ . 1 . 2]" 1
41 1 45 PHE HB2 1 46 GLU H . . 5.500 3.699 3.061 4.371 . 0 0 "[ . 1 . 2]" 1
42 1 14 ILE MD 1 15 ASN H . . 5.500 3.944 3.517 4.228 . 0 0 "[ . 1 . 2]" 1
43 1 14 ILE HB 1 15 ASN H . . 5.500 3.338 1.986 4.086 . 0 0 "[ . 1 . 2]" 1
44 1 39 ASN H 1 41 ARG H . . 5.500 3.751 3.495 3.991 . 0 0 "[ . 1 . 2]" 1
45 1 40 THR MG 1 41 ARG H . . 5.500 4.228 3.563 4.338 . 0 0 "[ . 1 . 2]" 1
46 1 38 HIS HA 1 41 ARG H . . 5.500 3.330 3.115 3.505 . 0 0 "[ . 1 . 2]" 1
47 1 30 ALA H 1 31 GLY H . . 5.500 2.672 2.501 2.806 . 0 0 "[ . 1 . 2]" 1
48 1 30 ALA MB 1 31 GLY H . . 5.500 3.194 3.096 3.300 . 0 0 "[ . 1 . 2]" 1
49 1 31 GLY H 1 32 GLU QB . . 5.500 4.400 4.239 4.559 . 0 0 "[ . 1 . 2]" 1
50 1 31 GLY H 1 32 GLU H . . 5.500 2.368 2.303 2.423 . 0 0 "[ . 1 . 2]" 1
51 1 12 SER QB 1 13 LEU H . . 5.500 2.905 2.789 3.034 . 0 0 "[ . 1 . 2]" 1
52 1 13 LEU H 1 14 ILE H . . 5.500 2.238 2.146 2.312 . 0 0 "[ . 1 . 2]" 1
53 1 12 SER HG 1 13 LEU H . . 5.500 4.999 4.577 5.141 . 0 0 "[ . 1 . 2]" 1
54 1 27 TYR H 1 33 ARG QD . . 5.500 6.300 5.816 6.970 1.470 18 17 "[** -******* *****+ *]" 1
55 1 26 ARG QG 1 27 TYR H . . 5.500 4.133 3.771 4.393 . 0 0 "[ . 1 . 2]" 1
56 1 27 TYR HA 1 34 PHE H . . 5.500 3.718 3.526 3.817 . 0 0 "[ . 1 . 2]" 1
57 1 25 ILE MG 1 34 PHE H . . 5.500 3.534 3.251 3.686 . 0 0 "[ . 1 . 2]" 1
58 1 26 ARG QG 1 34 PHE H . . 5.500 5.412 5.236 5.583 0.083 19 0 "[ . 1 . 2]" 1
59 1 26 ARG H 1 34 PHE H . . 5.500 3.032 2.949 3.108 . 0 0 "[ . 1 . 2]" 1
60 1 35 PHE H 1 44 THR HA . . 5.500 4.888 4.771 5.000 . 0 0 "[ . 1 . 2]" 1
61 1 34 PHE HB2 1 35 PHE H . . 5.500 3.769 3.655 3.998 . 0 0 "[ . 1 . 2]" 1
62 1 35 PHE H 1 44 THR MG . . 5.500 3.528 3.387 3.747 . 0 0 "[ . 1 . 2]" 1
63 1 34 PHE HB3 1 35 PHE H . . 5.500 2.595 2.445 2.920 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL H 1 12 SER HG . . 5.500 5.962 5.520 6.263 0.763 3 11 "[* + . * *** * *- * *]" 1
65 1 11 VAL H 1 14 ILE HB . . 5.500 3.122 2.779 3.467 . 0 0 "[ . 1 . 2]" 1
66 1 24 GLU HB3 1 25 ILE H . . 5.500 4.011 3.805 4.136 . 0 0 "[ . 1 . 2]" 1
67 1 24 GLU HB2 1 25 ILE H . . 5.500 3.913 3.789 4.262 . 0 0 "[ . 1 . 2]" 1
68 1 25 ILE H 1 26 ARG QG . . 5.500 3.459 3.274 3.796 . 0 0 "[ . 1 . 2]" 1
69 1 23 TRP HE1 1 25 ILE QG . . 5.500 7.537 7.279 8.015 2.515 13 20 [************+*****-*] 1
70 2 17 GLU QB 2 18 ASP H . . 5.500 2.831 2.620 2.999 . 0 0 "[ . 1 . 2]" 1
71 1 39 ASN HB2 1 40 THR H . . 5.500 2.849 2.743 3.105 . 0 0 "[ . 1 . 2]" 1
72 1 39 ASN HB3 1 40 THR H . . 5.500 3.906 3.836 4.055 . 0 0 "[ . 1 . 2]" 1
73 1 39 ASN H 1 40 THR H . . 5.500 2.657 2.520 2.740 . 0 0 "[ . 1 . 2]" 1
74 1 40 THR H 1 41 ARG H . . 5.500 2.117 1.926 2.232 . 0 0 "[ . 1 . 2]" 1
75 1 38 HIS HA 1 40 THR H . . 5.500 4.280 3.874 4.468 . 0 0 "[ . 1 . 2]" 1
76 1 28 THR H 1 32 GLU H . . 5.500 3.311 3.064 3.593 . 0 0 "[ . 1 . 2]" 1
77 1 30 ALA MB 1 32 GLU H . . 5.500 3.457 3.058 4.049 . 0 0 "[ . 1 . 2]" 1
78 1 24 GLU H 1 36 VAL HB . . 5.500 3.304 3.170 3.570 . 0 0 "[ . 1 . 2]" 1
79 1 23 TRP HB2 1 24 GLU H . . 5.500 3.946 3.885 4.019 . 0 0 "[ . 1 . 2]" 1
80 1 23 TRP HH2 1 24 GLU H . . 5.500 6.899 6.746 7.018 1.518 10 20 [*******-*+**********] 1
81 1 23 TRP HB3 1 24 GLU H . . 5.500 2.638 2.569 2.740 . 0 0 "[ . 1 . 2]" 1
82 1 23 TRP H 1 24 GLU H . . 5.500 4.496 4.472 4.518 . 0 0 "[ . 1 . 2]" 1
83 1 22 GLY H 1 23 TRP H . . 5.500 2.742 2.691 2.789 . 0 0 "[ . 1 . 2]" 1
84 2 15 SER HB2 2 16 TYR H . . 5.500 4.543 4.511 4.579 . 0 0 "[ . 1 . 2]" 1
85 1 25 ILE HB 1 26 ARG H . . 5.500 4.005 3.886 4.069 . 0 0 "[ . 1 . 2]" 1
86 1 25 ILE MG 1 26 ARG H . . 5.500 2.623 2.480 2.713 . 0 0 "[ . 1 . 2]" 1
87 1 25 ILE MD 1 26 ARG H . . 5.500 5.105 5.068 5.138 . 0 0 "[ . 1 . 2]" 1
88 1 27 TYR QE 1 33 ARG H . . 5.500 5.568 4.994 6.271 0.771 1 2 "[+ . 1 - . 2]" 1
89 1 32 GLU QB 1 33 ARG H . . 5.500 2.991 2.534 3.347 . 0 0 "[ . 1 . 2]" 1
90 1 27 TYR QD 1 33 ARG H . . 5.500 4.711 4.266 5.239 . 0 0 "[ . 1 . 2]" 1
91 1 32 GLU H 1 33 ARG H . . 5.500 4.399 4.246 4.475 . 0 0 "[ . 1 . 2]" 1
92 1 15 ASN HB3 1 16 GLU H . . 5.500 4.219 3.815 4.436 . 0 0 "[ . 1 . 2]" 1
93 1 15 ASN HB2 1 16 GLU H . . 5.500 4.543 4.344 4.659 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL H 1 14 ILE QG . . 5.340 4.134 3.972 4.438 . 0 0 "[ . 1 . 2]" 1
95 1 14 ILE MD 1 15 ASN QD . . 5.340 5.971 4.813 6.342 1.002 7 15 "[*** * +**** *** * *-]" 1
96 1 21 PRO QB 1 23 TRP HE1 . . 5.340 5.914 5.787 5.987 0.647 17 18 "[***-.** ********+***]" 1
97 1 23 TRP HD1 1 39 ASN QD . . 5.340 5.100 4.798 5.246 . 0 0 "[ . 1 . 2]" 1
98 1 23 TRP HE1 1 37 ASP QB . . 5.340 5.202 4.936 5.730 0.390 19 0 "[ . 1 . 2]" 1
99 1 23 TRP HE1 1 39 ASN QD . . 5.340 5.188 4.929 5.352 0.012 4 0 "[ . 1 . 2]" 1
100 1 24 GLU H 1 36 VAL QG . . 5.440 3.831 3.742 4.054 . 0 0 "[ . 1 . 2]" 1
101 1 30 ALA H 1 31 GLY QA . . 5.340 4.599 4.450 4.714 . 0 0 "[ . 1 . 2]" 1
102 1 37 ASP QB 1 42 ARG H . . 5.340 3.025 2.779 3.397 . 0 0 "[ . 1 . 2]" 1
103 1 28 THR HA 2 12 GLN QE . . 4.000 4.637 4.149 5.254 1.254 10 15 "[***** * +*- ***** *]" 1
104 1 36 VAL HA 2 16 TYR QB . . 4.000 4.891 4.789 5.096 1.096 8 20 [*******+****-*******] 1
105 1 41 ARG QG 2 16 TYR QB . . 4.000 5.031 4.782 5.448 1.448 19 20 [******-***********+*] 1
106 1 41 ARG HA 2 18 ASP QB . . 4.000 4.963 4.741 5.137 1.137 14 20 [*************+****-*] 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 18
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 814.740
_Distance_constraint_stats_list.Viol_max 1.209
_Distance_constraint_stats_list.Viol_rms 0.2560
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1132
_Distance_constraint_stats_list.Viol_average_violations_only 0.2829
_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 24 GLU 0.741 0.134 7 0 "[ . 1 . 2]"
1 26 ARG 0.043 0.016 4 0 "[ . 1 . 2]"
1 34 PHE 0.043 0.016 4 0 "[ . 1 . 2]"
1 35 PHE 3.826 0.153 3 0 "[ . 1 . 2]"
1 36 VAL 0.741 0.134 7 0 "[ . 1 . 2]"
1 37 ASP 29.847 1.209 3 20 [**+***-*************]
1 42 ARG 29.847 1.209 3 20 [**+***-*************]
1 44 THR 3.826 0.153 3 0 "[ . 1 . 2]"
2 16 TYR 6.280 0.375 11 0 "[ . 1 . 2]"
2 20 ILE 6.280 0.375 11 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 24 GLU H 1 36 VAL O . . 2.000 2.005 1.909 2.134 0.134 7 0 "[ . 1 . 2]" 2
2 1 24 GLU N 1 36 VAL O . 2.700 3.000 2.952 2.882 3.051 0.051 17 0 "[ . 1 . 2]" 2
3 1 24 GLU O 1 36 VAL H . . 2.000 1.852 1.820 1.884 . 0 0 "[ . 1 . 2]" 2
4 1 24 GLU O 1 36 VAL N . 2.700 3.000 2.824 2.801 2.870 . 0 0 "[ . 1 . 2]" 2
5 1 26 ARG H 1 34 PHE O . . 2.000 1.965 1.921 2.009 0.009 19 0 "[ . 1 . 2]" 2
6 1 26 ARG N 1 34 PHE O . 2.700 3.000 2.970 2.933 3.016 0.016 4 0 "[ . 1 . 2]" 2
7 1 26 ARG O 1 34 PHE H . . 2.000 1.941 1.888 1.999 . 0 0 "[ . 1 . 2]" 2
8 1 26 ARG O 1 34 PHE N . 2.700 3.000 2.933 2.890 2.992 . 0 0 "[ . 1 . 2]" 2
9 1 35 PHE H 1 44 THR O . . 2.000 1.913 1.805 2.010 0.010 4 0 "[ . 1 . 2]" 2
10 1 35 PHE N 1 44 THR O . 2.700 3.000 2.919 2.819 3.017 0.017 5 0 "[ . 1 . 2]" 2
11 1 35 PHE O 1 44 THR H . . 2.000 2.113 2.041 2.153 0.153 3 0 "[ . 1 . 2]" 2
12 1 35 PHE O 1 44 THR N . 2.700 3.000 3.076 3.005 3.126 0.126 13 0 "[ . 1 . 2]" 2
13 1 37 ASP H 1 42 ARG O . . 2.000 1.885 1.835 1.950 . 0 0 "[ . 1 . 2]" 2
14 1 37 ASP N 1 42 ARG O . 2.700 3.000 2.890 2.831 2.965 . 0 0 "[ . 1 . 2]" 2
15 1 37 ASP O 1 42 ARG H . . 2.000 3.051 2.630 3.209 1.209 3 20 [**+************-****] 2
16 1 37 ASP O 1 42 ARG N . 2.700 3.000 3.441 3.344 3.644 0.644 18 5 "[ . - * . *+*2]" 2
17 2 16 TYR O 2 20 ILE H . . 2.000 2.160 2.064 2.375 0.375 11 0 "[ . 1 . 2]" 2
18 2 16 TYR O 2 20 ILE N . 2.700 3.000 3.154 3.073 3.360 0.360 11 0 "[ . 1 . 2]" 2
stop_
save_