Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610824 | 2ndl RC | 26064 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ndl
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 136
_Distance_constraint_stats_list.Viol_count 143
_Distance_constraint_stats_list.Viol_total 85.442
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0079
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0299
_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 0.008 0.008 18 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 1.035 0.060 20 0 "[ . 1 . 2]"
1 4 PHE 3.036 0.065 20 0 "[ . 1 . 2]"
1 5 PRO 1.118 0.062 18 0 "[ . 1 . 2]"
1 6 MET 0.007 0.003 14 0 "[ . 1 . 2]"
1 7 GLY 0.095 0.078 19 0 "[ . 1 . 2]"
1 8 PRO 0.029 0.029 18 0 "[ . 1 . 2]"
1 9 TRP 0.084 0.055 19 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.014 0.014 18 0 "[ . 1 . 2]"
1 12 PHE 0.633 0.078 19 0 "[ . 1 . 2]"
1 13 CYS 1.048 0.060 20 0 "[ . 1 . 2]"
1 14 ILE 0.504 0.032 18 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 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 PRO HA 1 3 CYS H . . 2.990 2.719 2.707 2.729 . 0 0 "[ . 1 . 2]" 1
2 1 3 CYS H 1 3 CYS HB2 . . 3.620 2.816 2.802 2.850 . 0 0 "[ . 1 . 2]" 1
3 1 3 CYS HA 1 4 PHE H . . 2.780 2.277 2.248 2.325 . 0 0 "[ . 1 . 2]" 1
4 1 4 PHE HA 1 5 PRO HD2 . . 3.450 2.189 2.171 2.204 . 0 0 "[ . 1 . 2]" 1
5 1 4 PHE HA 1 5 PRO HD3 . . 3.450 2.251 2.250 2.253 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO HA 1 6 MET H . . 3.280 2.411 2.401 2.434 . 0 0 "[ . 1 . 2]" 1
7 1 6 MET H 1 6 MET QG . . 4.910 3.681 3.516 3.708 . 0 0 "[ . 1 . 2]" 1
8 1 6 MET H 1 6 MET HB2 . . 4.130 2.772 2.706 2.817 . 0 0 "[ . 1 . 2]" 1
9 1 6 MET H 1 6 MET HB3 . . 3.910 3.741 3.729 3.764 . 0 0 "[ . 1 . 2]" 1
10 1 6 MET HA 1 7 GLY H . . 3.260 2.587 2.580 2.608 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 9 TRP H . . 4.360 3.419 3.153 3.647 . 0 0 "[ . 1 . 2]" 1
12 1 10 GLY HA3 1 11 PRO HD2 . . 3.750 2.275 2.215 2.366 . 0 0 "[ . 1 . 2]" 1
13 1 10 GLY HA3 1 11 PRO HD3 . . 3.750 2.262 2.252 2.285 . 0 0 "[ . 1 . 2]" 1
14 1 11 PRO HA 1 12 PHE H . . 2.850 2.391 2.344 2.400 . 0 0 "[ . 1 . 2]" 1
15 1 12 PHE HA 1 13 CYS H . . 2.890 2.235 2.223 2.264 . 0 0 "[ . 1 . 2]" 1
16 1 13 CYS H 1 13 CYS HB2 . . 3.440 2.714 2.684 2.726 . 0 0 "[ . 1 . 2]" 1
17 1 13 CYS H 1 13 CYS HB3 . . 4.200 3.732 3.705 3.752 . 0 0 "[ . 1 . 2]" 1
18 1 13 CYS HA 1 14 ILE H . . 2.860 2.266 2.239 2.286 . 0 0 "[ . 1 . 2]" 1
19 1 14 ILE HA 1 15 PRO HD2 . . 3.610 2.467 2.452 2.487 . 0 0 "[ . 1 . 2]" 1
20 1 14 ILE HA 1 15 PRO HD3 . . 3.610 2.328 2.322 2.338 . 0 0 "[ . 1 . 2]" 1
21 1 1 GLY H1 1 16 ASP HA . . 3.640 3.223 2.918 3.480 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLY HA2 1 8 PRO QD . . 3.270 2.458 2.437 2.484 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS HB3 1 13 CYS HA . . 3.750 2.963 2.783 3.005 . 0 0 "[ . 1 . 2]" 1
24 1 14 ILE H 1 14 ILE HB . . 3.720 3.634 3.628 3.645 . 0 0 "[ . 1 . 2]" 1
25 1 14 ILE H 1 14 ILE MG . . 4.420 3.185 3.100 3.254 . 0 0 "[ . 1 . 2]" 1
26 1 14 ILE H 1 14 ILE MD . . 4.880 3.637 3.621 3.668 . 0 0 "[ . 1 . 2]" 1
27 1 14 ILE HA 1 14 ILE MG . . 3.660 2.066 2.041 2.101 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLY HA3 1 8 PRO QD . . 3.310 2.099 2.075 2.119 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLY HA3 1 8 PRO HG2 . . 5.500 4.253 4.236 4.268 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLY HA3 1 8 PRO HG3 . . 5.500 4.734 4.706 4.756 . 0 0 "[ . 1 . 2]" 1
31 1 2 PRO HB3 1 3 CYS H . . 4.050 3.149 3.142 3.156 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HB3 1 4 PHE H . . 3.710 2.873 2.777 2.966 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HB2 1 4 PHE H . . 4.420 3.558 3.414 3.613 . 0 0 "[ . 1 . 2]" 1
34 1 6 MET HB3 1 7 GLY H . . 4.290 2.104 2.049 2.120 . 0 0 "[ . 1 . 2]" 1
35 1 6 MET HB2 1 7 GLY H . . 4.630 3.598 3.509 3.612 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLY H 1 8 PRO QD . . 4.400 4.332 4.329 4.335 . 0 0 "[ . 1 . 2]" 1
37 1 8 PRO QD 1 9 TRP H . . 3.810 2.607 2.601 2.667 . 0 0 "[ . 1 . 2]" 1
38 1 11 PRO HB2 1 12 PHE H . . 4.620 4.238 4.196 4.247 . 0 0 "[ . 1 . 2]" 1
39 1 11 PRO HB3 1 12 PHE H . . 4.620 4.535 4.498 4.542 . 0 0 "[ . 1 . 2]" 1
40 1 13 CYS HB2 1 14 ILE H . . 4.370 3.705 3.653 3.780 . 0 0 "[ . 1 . 2]" 1
41 1 13 CYS HB3 1 14 ILE H . . 3.860 2.843 2.780 2.919 . 0 0 "[ . 1 . 2]" 1
42 1 15 PRO HB2 1 16 ASP H . . 4.470 3.421 3.381 3.922 . 0 0 "[ . 1 . 2]" 1
43 1 15 PRO HB3 1 16 ASP H . . 4.470 4.181 4.167 4.278 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS HA 1 13 CYS HB3 . . 3.980 3.667 3.635 3.739 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS HA 1 13 CYS HB2 . . 4.680 4.696 4.682 4.724 0.044 18 0 "[ . 1 . 2]" 1
46 1 5 PRO HD2 1 6 MET H . . 5.210 4.908 4.865 4.929 . 0 0 "[ . 1 . 2]" 1
47 1 1 GLY H1 1 16 ASP H . . 3.380 2.957 2.711 3.224 . 0 0 "[ . 1 . 2]" 1
48 1 1 GLY H1 1 14 ILE HB . . 4.270 3.839 3.385 4.199 . 0 0 "[ . 1 . 2]" 1
49 1 1 GLY H1 1 14 ILE MD . . 4.370 3.653 2.827 4.020 . 0 0 "[ . 1 . 2]" 1
50 1 2 PRO QD 1 14 ILE MD . . 3.710 3.116 2.944 3.361 . 0 0 "[ . 1 . 2]" 1
51 1 11 PRO QG 1 12 PHE H . . 4.820 4.673 4.667 4.704 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS H 1 13 CYS HB3 . . 4.390 4.425 4.411 4.450 0.060 20 0 "[ . 1 . 2]" 1
53 1 3 CYS HB3 1 13 CYS H . . 4.030 3.897 3.754 3.994 . 0 0 "[ . 1 . 2]" 1
54 1 2 PRO QD 1 14 ILE H . . 5.420 5.233 5.177 5.294 . 0 0 "[ . 1 . 2]" 1
55 1 14 ILE MG 1 15 PRO HD3 . . 4.290 3.436 3.377 3.502 . 0 0 "[ . 1 . 2]" 1
56 1 4 PHE HB3 1 12 PHE H . . 5.500 5.526 5.507 5.539 0.039 10 0 "[ . 1 . 2]" 1
57 1 4 PHE HB3 1 6 MET H . . 4.760 4.362 4.291 4.387 . 0 0 "[ . 1 . 2]" 1
58 1 4 PHE HB2 1 12 PHE H . . 5.500 4.945 4.924 4.984 . 0 0 "[ . 1 . 2]" 1
59 1 4 PHE HB2 1 6 MET H . . 4.760 4.726 4.644 4.763 0.003 14 0 "[ . 1 . 2]" 1
60 1 1 GLY H1 1 15 PRO HA . . 4.350 3.984 3.868 4.178 . 0 0 "[ . 1 . 2]" 1
61 1 12 PHE QD 1 14 ILE MG . . 4.160 2.853 2.765 2.935 . 0 0 "[ . 1 . 2]" 1
62 1 4 PHE QE 1 14 ILE MD . . 4.090 3.703 3.535 3.879 . 0 0 "[ . 1 . 2]" 1
63 1 4 PHE QD 1 14 ILE MD . . 4.170 3.478 3.250 3.786 . 0 0 "[ . 1 . 2]" 1
64 1 5 PRO HA 1 12 PHE H . . 4.600 3.797 3.755 3.855 . 0 0 "[ . 1 . 2]" 1
65 1 5 PRO HD3 1 6 MET H . . 5.210 5.138 5.111 5.152 . 0 0 "[ . 1 . 2]" 1
66 1 11 PRO HA 1 12 PHE QD . . 4.510 4.469 4.425 4.524 0.014 18 0 "[ . 1 . 2]" 1
67 1 12 PHE QD 1 13 CYS HA . . 4.850 3.825 3.733 3.848 . 0 0 "[ . 1 . 2]" 1
68 1 2 PRO HB2 1 4 PHE QE . . 5.110 4.142 3.946 4.322 . 0 0 "[ . 1 . 2]" 1
69 1 2 PRO HB2 1 4 PHE QD . . 4.740 4.594 4.433 4.709 . 0 0 "[ . 1 . 2]" 1
70 1 12 PHE QE 1 14 ILE MG . . 4.200 1.917 1.902 1.929 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLY HA3 1 10 GLY H . . 4.550 3.445 3.316 3.549 . 0 0 "[ . 1 . 2]" 1
72 1 4 PHE QE 1 5 PRO QG . . 5.500 5.556 5.546 5.562 0.062 18 0 "[ . 1 . 2]" 1
73 1 4 PHE QD 1 5 PRO QG . . 5.080 3.867 3.856 3.876 . 0 0 "[ . 1 . 2]" 1
74 1 6 MET H 1 10 GLY HA2 . . 4.320 2.799 2.727 2.918 . 0 0 "[ . 1 . 2]" 1
75 1 6 MET H 1 11 PRO HA . . 4.000 3.844 3.761 3.960 . 0 0 "[ . 1 . 2]" 1
76 1 12 PHE QD 1 13 CYS H . . 4.410 3.336 3.213 3.396 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 10 GLY HA2 . . 4.790 4.531 4.377 4.641 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY HA2 1 12 PHE QD . . 5.270 5.087 5.000 5.098 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY HA2 1 12 PHE QE . . 4.730 4.704 4.175 4.808 0.078 19 0 "[ . 1 . 2]" 1
80 1 7 GLY HA3 1 12 PHE QD . . 3.740 3.607 3.501 3.622 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY HA3 1 12 PHE QE . . 4.110 3.886 3.203 4.110 0.000 19 0 "[ . 1 . 2]" 1
82 1 12 PHE QD 1 14 ILE HA . . 4.600 3.969 3.884 4.016 . 0 0 "[ . 1 . 2]" 1
83 1 3 CYS HA 1 13 CYS H . . 4.420 4.381 4.325 4.441 0.021 20 0 "[ . 1 . 2]" 1
84 1 3 CYS H 1 13 CYS HA . . 4.540 4.173 4.083 4.202 . 0 0 "[ . 1 . 2]" 1
85 1 6 MET H 1 10 GLY H . . 4.710 4.116 4.095 4.167 . 0 0 "[ . 1 . 2]" 1
86 1 12 PHE H 1 12 PHE QD . . 4.150 2.550 2.533 2.731 . 0 0 "[ . 1 . 2]" 1
87 1 5 PRO HA 1 11 PRO HA . . 3.500 2.702 2.539 2.891 . 0 0 "[ . 1 . 2]" 1
88 1 4 PHE QE 1 14 ILE HG12 . . 5.500 4.990 4.851 5.080 . 0 0 "[ . 1 . 2]" 1
89 1 4 PHE QE 1 14 ILE HG13 . . 5.500 5.525 5.513 5.532 0.032 18 0 "[ . 1 . 2]" 1
90 1 3 CYS HA 1 14 ILE H . . 3.680 3.396 3.334 3.444 . 0 0 "[ . 1 . 2]" 1
91 1 4 PHE H 1 13 CYS HA . . 3.600 3.593 3.579 3.611 0.011 18 0 "[ . 1 . 2]" 1
92 1 3 CYS HA 1 12 PHE H . . 4.800 4.626 4.531 4.714 . 0 0 "[ . 1 . 2]" 1
93 1 4 PHE QD 1 13 CYS HA . . 5.220 5.065 5.012 5.163 . 0 0 "[ . 1 . 2]" 1
94 1 3 CYS HA 1 4 PHE QD . . 4.340 3.728 3.565 3.797 . 0 0 "[ . 1 . 2]" 1
95 1 3 CYS HA 1 12 PHE QD . . 5.120 4.726 4.589 4.773 . 0 0 "[ . 1 . 2]" 1
96 1 3 CYS HB2 1 13 CYS HA . . 4.370 4.205 4.084 4.234 . 0 0 "[ . 1 . 2]" 1
97 1 3 CYS HA 1 13 CYS HA . . 2.400 1.894 1.881 1.897 . 0 0 "[ . 1 . 2]" 1
98 1 4 PHE H 1 12 PHE H . . 3.600 3.093 3.039 3.120 . 0 0 "[ . 1 . 2]" 1
99 1 2 PRO HB3 1 4 PHE QE . . 5.270 5.039 4.922 5.211 . 0 0 "[ . 1 . 2]" 1
100 1 2 PRO QD 1 4 PHE QE . . 4.960 2.996 2.817 3.158 . 0 0 "[ . 1 . 2]" 1
101 1 4 PHE HA 1 4 PHE QE . . 4.680 4.480 4.469 4.503 . 0 0 "[ . 1 . 2]" 1
102 1 4 PHE HA 1 4 PHE QD . . 3.950 2.832 2.801 2.913 . 0 0 "[ . 1 . 2]" 1
103 1 14 ILE MG 1 15 PRO HD2 . . 4.290 2.635 2.520 2.747 . 0 0 "[ . 1 . 2]" 1
104 1 4 PHE H 1 4 PHE QD . . 4.250 3.529 3.515 3.542 . 0 0 "[ . 1 . 2]" 1
105 1 4 PHE H 1 4 PHE QE . . 5.500 5.544 5.535 5.565 0.065 20 0 "[ . 1 . 2]" 1
106 1 9 TRP HA 1 9 TRP HD1 . . 4.360 3.351 2.143 4.415 0.055 19 0 "[ . 1 . 2]" 1
107 1 8 PRO HA 1 9 TRP HA . . 4.660 4.637 4.558 4.689 0.029 18 0 "[ . 1 . 2]" 1
108 1 9 TRP H 1 10 GLY H . . 3.180 2.322 2.078 2.488 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLY H 1 10 GLY H . . 5.190 4.977 4.838 5.066 . 0 0 "[ . 1 . 2]" 1
110 1 2 PRO QG 1 4 PHE QE . . 4.210 2.104 1.984 2.288 . 0 0 "[ . 1 . 2]" 1
111 1 2 PRO QG 1 4 PHE QD . . 4.640 3.486 3.401 3.609 . 0 0 "[ . 1 . 2]" 1
112 1 1 GLY QA 1 2 PRO QD . . 3.210 2.029 2.028 2.031 . 0 0 "[ . 1 . 2]" 1
113 1 1 GLY QA 1 14 ILE HB . . 4.420 4.215 4.047 4.428 0.008 18 0 "[ . 1 . 2]" 1
114 1 4 PHE H 1 4 PHE QB . . 3.320 2.626 2.612 2.664 . 0 0 "[ . 1 . 2]" 1
115 1 4 PHE H 1 12 PHE QB . . 5.320 4.794 4.736 4.872 . 0 0 "[ . 1 . 2]" 1
116 1 4 PHE QB 1 6 MET H . . 4.090 4.026 3.971 4.049 . 0 0 "[ . 1 . 2]" 1
117 1 4 PHE QB 1 12 PHE H . . 4.630 4.615 4.600 4.640 0.010 20 0 "[ . 1 . 2]" 1
118 1 4 PHE QD 1 14 ILE QG . . 5.130 3.780 3.706 3.800 . 0 0 "[ . 1 . 2]" 1
119 1 4 PHE QE 1 14 ILE QG . . 4.720 4.642 4.553 4.698 . 0 0 "[ . 1 . 2]" 1
120 1 5 PRO HA 1 11 PRO QB . . 4.450 3.888 3.679 4.123 . 0 0 "[ . 1 . 2]" 1
121 1 5 PRO QB 1 11 PRO HA . . 4.770 3.973 3.806 4.177 . 0 0 "[ . 1 . 2]" 1
122 1 5 PRO QD 1 6 MET H . . 4.490 4.467 4.434 4.483 . 0 0 "[ . 1 . 2]" 1
123 1 5 PRO QD 1 6 MET HB2 . . 5.350 4.912 4.818 5.097 . 0 0 "[ . 1 . 2]" 1
124 1 8 PRO QB 1 9 TRP H . . 3.970 3.186 2.992 3.442 . 0 0 "[ . 1 . 2]" 1
125 1 8 PRO QG 1 9 TRP H . . 3.960 2.329 2.083 2.724 . 0 0 "[ . 1 . 2]" 1
126 1 9 TRP H 1 9 TRP QB . . 3.390 2.327 2.153 3.081 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLY HA3 1 11 PRO QD . . 3.260 2.021 1.989 2.070 . 0 0 "[ . 1 . 2]" 1
128 1 11 PRO QB 1 12 PHE H . . 4.020 3.893 3.856 3.899 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE H 1 12 PHE QB . . 3.620 2.737 2.725 2.829 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE QB 1 13 CYS H . . 3.420 2.901 2.823 2.935 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE QE 1 14 ILE QG . . 4.620 3.865 3.588 3.923 . 0 0 "[ . 1 . 2]" 1
132 1 14 ILE H 1 14 ILE QG . . 3.210 1.909 1.885 1.981 . 0 0 "[ . 1 . 2]" 1
133 1 14 ILE HA 1 15 PRO QD . . 3.000 2.129 2.121 2.142 . 0 0 "[ . 1 . 2]" 1
134 1 14 ILE HB 1 14 ILE QG . . 2.520 2.372 2.361 2.447 . 0 0 "[ . 1 . 2]" 1
135 1 14 ILE QG 1 14 ILE MG . . 3.150 2.251 2.122 2.279 . 0 0 "[ . 1 . 2]" 1
136 1 14 ILE MG 1 15 PRO QD . . 3.450 2.555 2.454 2.653 . 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 10
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 200.495
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0501
_Distance_constraint_stats_list.Viol_average_violations_only 0.1002
_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 PRO 3.234 0.124 15 0 "[ . 1 . 2]"
1 4 PHE 4.860 0.189 19 0 "[ . 1 . 2]"
1 6 MET 1.931 0.102 5 0 "[ . 1 . 2]"
1 10 GLY 1.931 0.102 5 0 "[ . 1 . 2]"
1 12 PHE 4.860 0.189 19 0 "[ . 1 . 2]"
1 14 ILE 3.234 0.124 15 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 4 PHE H 1 12 PHE O . . 2.300 2.017 1.976 2.067 . 0 0 "[ . 1 . 2]" 2
2 1 4 PHE N 1 12 PHE O . . 3.300 2.938 2.887 2.986 . 0 0 "[ . 1 . 2]" 2
3 1 4 PHE O 1 12 PHE H . . 2.300 2.442 2.415 2.489 0.189 19 0 "[ . 1 . 2]" 2
4 1 4 PHE O 1 12 PHE N . . 3.300 3.401 3.373 3.469 0.169 19 0 "[ . 1 . 2]" 2
5 1 2 PRO O 1 14 ILE H . . 2.300 2.413 2.403 2.424 0.124 15 0 "[ . 1 . 2]" 2
6 1 2 PRO O 1 14 ILE N . . 3.300 3.348 3.330 3.370 0.070 19 0 "[ . 1 . 2]" 2
7 1 6 MET H 1 10 GLY O . . 2.300 1.798 1.787 1.842 . 0 0 "[ . 1 . 2]" 2
8 1 6 MET N 1 10 GLY O . . 3.300 2.676 2.652 2.685 . 0 0 "[ . 1 . 2]" 2
9 1 6 MET O 1 10 GLY H . . 2.300 2.397 2.382 2.402 0.102 5 0 "[ . 1 . 2]" 2
10 1 6 MET O 1 10 GLY N . . 3.300 2.931 2.913 2.935 . 0 0 "[ . 1 . 2]" 2
stop_
save_