Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604073 | 2nb6 RC | 25963 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nb6
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 124
_Distance_constraint_stats_list.Viol_count 104
_Distance_constraint_stats_list.Viol_total 50.273
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 0.031 0.007 4 0 "[ . 1 . 2]"
1 2 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 TYR 0.031 0.007 4 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 1.096 0.065 17 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.530 0.040 5 0 "[ . 1 . 2]"
1 8 PRO 0.177 0.020 14 0 "[ . 1 . 2]"
1 9 PRO 0.680 0.067 19 0 "[ . 1 . 2]"
1 10 PHE 2.462 0.067 19 0 "[ . 1 . 2]"
1 11 PHE 0.021 0.005 15 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 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 THR H 1 12 THR MG . . 4.060 3.469 2.243 3.880 . 0 0 "[ . 1 . 2]" 1
2 1 12 THR H 1 12 THR HB . . 4.140 2.930 2.593 3.736 . 0 0 "[ . 1 . 2]" 1
3 1 11 PHE HA 1 12 THR H . . 2.760 2.139 2.138 2.140 . 0 0 "[ . 1 . 2]" 1
4 1 12 THR HA 1 13 CYS H . . 3.140 2.193 2.150 2.275 . 0 0 "[ . 1 . 2]" 1
5 1 13 CYS HA 1 14 ASP H . . 3.110 2.343 2.186 2.504 . 0 0 "[ . 1 . 2]" 1
6 1 10 PHE H 1 10 PHE HA . . 2.890 2.867 2.854 2.873 . 0 0 "[ . 1 . 2]" 1
7 1 10 PHE HB2 1 11 PHE H . . 5.500 3.459 3.398 3.499 . 0 0 "[ . 1 . 2]" 1
8 1 10 PHE HB3 1 11 PHE H . . 5.500 4.248 4.214 4.274 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO HA 1 9 PRO HA . . 2.740 2.145 2.133 2.161 . 0 0 "[ . 1 . 2]" 1
10 1 3 TYR H 1 3 TYR HB2 . . 4.090 3.784 3.779 3.791 . 0 0 "[ . 1 . 2]" 1
11 1 3 TYR H 1 3 TYR HB3 . . 4.090 3.457 3.445 3.466 . 0 0 "[ . 1 . 2]" 1
12 1 3 TYR HA 1 4 PRO HD3 . . 3.080 2.317 2.316 2.318 . 0 0 "[ . 1 . 2]" 1
13 1 3 TYR HA 1 4 PRO HD2 . . 3.670 2.447 2.445 2.450 . 0 0 "[ . 1 . 2]" 1
14 1 7 TYR HA 1 8 PRO HD2 . . 3.670 2.214 2.203 2.227 . 0 0 "[ . 1 . 2]" 1
15 1 7 TYR HA 1 8 PRO HD3 . . 3.670 2.252 2.250 2.254 . 0 0 "[ . 1 . 2]" 1
16 1 4 PRO HA 1 5 VAL H . . 2.680 2.239 2.222 2.250 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL H 1 10 PHE HA . . 3.750 2.972 2.927 3.003 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL H 1 5 VAL MG1 . . 4.530 3.189 3.138 3.224 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL H 1 5 VAL MG2 . . 3.670 2.199 2.151 2.253 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL HA 1 6 PRO HD3 . . 3.480 2.307 2.305 2.309 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL HA 1 6 PRO HD2 . . 3.250 2.420 2.416 2.423 . 0 0 "[ . 1 . 2]" 1
22 1 1 GLY QA 1 2 CYS H . . 3.190 2.415 2.110 2.797 . 0 0 "[ . 1 . 2]" 1
23 1 14 ASP HA 1 15 PRO QD . . 3.600 2.042 1.957 2.156 . 0 0 "[ . 1 . 2]" 1
24 1 3 TYR H 1 4 PRO HD3 . . 5.040 4.940 4.938 4.942 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR H 1 13 CYS HA . . 5.030 3.589 3.503 3.860 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL MG2 1 10 PHE H . . 4.230 4.063 4.041 4.093 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL MG2 1 12 THR H . . 4.540 3.397 3.326 3.440 . 0 0 "[ . 1 . 2]" 1
28 1 3 TYR H 1 5 VAL MG1 . . 5.000 4.520 4.464 4.551 . 0 0 "[ . 1 . 2]" 1
29 1 12 THR MG 1 13 CYS H . . 5.500 3.006 2.111 3.923 . 0 0 "[ . 1 . 2]" 1
30 1 9 PRO HG3 1 10 PHE H . . 5.500 5.341 5.322 5.382 . 0 0 "[ . 1 . 2]" 1
31 1 2 CYS HA 1 14 ASP H . . 4.760 3.552 2.960 3.848 . 0 0 "[ . 1 . 2]" 1
32 1 4 PRO HA 1 12 THR H . . 4.620 3.705 3.606 3.905 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HB3 1 5 VAL H . . 4.300 3.714 3.692 3.754 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO HB2 1 5 VAL H . . 4.300 3.083 3.047 3.148 . 0 0 "[ . 1 . 2]" 1
35 1 15 PRO QG 1 16 ASN H . . 5.500 3.259 1.969 4.702 . 0 0 "[ . 1 . 2]" 1
36 1 3 TYR H 1 3 TYR QD . . 3.940 3.002 2.859 3.144 . 0 0 "[ . 1 . 2]" 1
37 1 10 PHE H 1 11 PHE H . . 3.400 2.537 2.530 2.550 . 0 0 "[ . 1 . 2]" 1
38 1 10 PHE H 1 10 PHE QD . . 4.210 3.235 3.213 3.244 . 0 0 "[ . 1 . 2]" 1
39 1 11 PHE QD 1 12 THR H . . 5.500 4.651 4.644 4.654 . 0 0 "[ . 1 . 2]" 1
40 1 8 PRO HA 1 10 PHE H . . 3.000 2.884 2.823 2.914 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL H 1 11 PHE HA . . 4.240 4.178 4.073 4.245 0.005 15 0 "[ . 1 . 2]" 1
42 1 8 PRO HA 1 11 PHE H . . 5.500 4.557 4.537 4.565 . 0 0 "[ . 1 . 2]" 1
43 1 9 PRO HB2 1 11 PHE H . . 5.500 2.145 2.130 2.173 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO HD2 1 7 TYR H . . 4.180 2.741 2.736 2.743 . 0 0 "[ . 1 . 2]" 1
45 1 6 PRO HD3 1 7 TYR H . . 4.950 3.868 3.867 3.870 . 0 0 "[ . 1 . 2]" 1
46 1 4 PRO HA 1 11 PHE HA . . 3.410 3.288 3.216 3.386 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR HA 1 3 TYR QD . . 3.780 3.699 3.682 3.721 . 0 0 "[ . 1 . 2]" 1
48 1 7 TYR HA 1 7 TYR QD . . 4.180 3.737 3.727 3.741 . 0 0 "[ . 1 . 2]" 1
49 1 7 TYR H 1 7 TYR QD . . 2.790 2.285 2.158 2.480 . 0 0 "[ . 1 . 2]" 1
50 1 10 PHE HA 1 10 PHE QD . . 2.590 1.992 1.986 1.994 . 0 0 "[ . 1 . 2]" 1
51 1 11 PHE HA 1 11 PHE QD . . 4.340 3.679 3.679 3.681 . 0 0 "[ . 1 . 2]" 1
52 1 3 TYR QD 1 5 VAL MG1 . . 3.530 2.647 2.469 2.730 . 0 0 "[ . 1 . 2]" 1
53 1 9 PRO HA 1 10 PHE QD . . 4.450 4.433 4.404 4.451 0.001 15 0 "[ . 1 . 2]" 1
54 1 11 PHE QD 1 12 THR HA . . 4.460 4.228 4.208 4.287 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL HB 1 7 TYR H . . 3.840 3.024 3.015 3.028 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL MG2 1 7 TYR H . . 4.010 3.593 3.540 3.627 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL HB 1 7 TYR QD . . 4.510 3.647 3.457 3.911 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL MG2 1 7 TYR QD . . 4.310 3.876 3.654 3.972 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL MG2 1 11 PHE HA . . 3.620 3.552 3.456 3.623 0.003 6 0 "[ . 1 . 2]" 1
60 1 5 VAL MG1 1 11 PHE HA . . 5.500 4.688 4.556 4.774 . 0 0 "[ . 1 . 2]" 1
61 1 11 PHE HA 1 12 THR MG . . 5.500 4.963 3.801 5.486 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL MG2 1 11 PHE H . . 3.820 3.461 3.411 3.505 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL MG2 1 10 PHE QD . . 4.250 3.037 2.991 3.090 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL HB 1 10 PHE QD . . 4.980 4.978 4.954 4.993 0.013 15 0 "[ . 1 . 2]" 1
65 1 5 VAL MG1 1 10 PHE QD . . 5.500 5.550 5.519 5.565 0.065 17 0 "[ . 1 . 2]" 1
66 1 9 PRO HG2 1 11 PHE H . . 3.670 3.545 3.509 3.613 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HB2 1 11 PHE QD . . 4.400 3.174 3.102 3.324 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HB2 1 11 PHE QE . . 4.080 3.090 2.996 3.296 . 0 0 "[ . 1 . 2]" 1
69 1 2 CYS HA 1 3 TYR QD . . 4.290 3.459 3.196 3.808 . 0 0 "[ . 1 . 2]" 1
70 1 3 TYR QD 1 4 PRO HD2 . . 4.010 3.859 3.826 3.875 . 0 0 "[ . 1 . 2]" 1
71 1 6 PRO HG3 1 7 TYR QD . . 4.410 3.788 3.677 3.916 . 0 0 "[ . 1 . 2]" 1
72 1 6 PRO HG2 1 7 TYR QD . . 4.410 2.235 2.129 2.365 . 0 0 "[ . 1 . 2]" 1
73 1 6 PRO HG2 1 7 TYR QE . . 5.500 3.930 3.620 4.181 . 0 0 "[ . 1 . 2]" 1
74 1 6 PRO HG3 1 7 TYR QE . . 5.500 4.930 4.538 5.232 . 0 0 "[ . 1 . 2]" 1
75 1 6 PRO HD2 1 7 TYR QE . . 4.120 3.585 3.462 3.734 . 0 0 "[ . 1 . 2]" 1
76 1 6 PRO HD2 1 7 TYR QD . . 4.020 3.258 3.083 3.572 . 0 0 "[ . 1 . 2]" 1
77 1 5 VAL HB 1 7 TYR QE . . 4.090 3.529 3.360 3.698 . 0 0 "[ . 1 . 2]" 1
78 1 5 VAL MG2 1 7 TYR QE . . 4.160 3.686 3.427 3.823 . 0 0 "[ . 1 . 2]" 1
79 1 8 PRO HA 1 10 PHE QD . . 3.250 3.120 3.085 3.142 . 0 0 "[ . 1 . 2]" 1
80 1 8 PRO HB3 1 10 PHE H . . 4.650 4.145 4.036 4.195 . 0 0 "[ . 1 . 2]" 1
81 1 13 CYS HB3 1 14 ASP H . . 5.500 2.642 2.312 3.104 . 0 0 "[ . 1 . 2]" 1
82 1 13 CYS HB2 1 14 ASP H . . 5.500 3.700 3.191 4.204 . 0 0 "[ . 1 . 2]" 1
83 1 9 PRO HB2 1 10 PHE QD . . 5.500 5.534 5.507 5.567 0.067 19 0 "[ . 1 . 2]" 1
84 1 8 PRO HB3 1 10 PHE QD . . 4.180 4.184 4.152 4.200 0.020 14 0 "[ . 1 . 2]" 1
85 1 7 TYR HA 1 10 PHE QD . . 4.330 4.357 4.335 4.370 0.040 5 0 "[ . 1 . 2]" 1
86 1 9 PRO HG3 1 11 PHE H . . 5.200 4.581 4.554 4.635 . 0 0 "[ . 1 . 2]" 1
87 1 2 CYS HA 1 13 CYS HA . . 3.350 2.041 1.987 2.318 . 0 0 "[ . 1 . 2]" 1
88 1 2 CYS HA 1 3 TYR H . . 2.810 2.195 2.159 2.237 . 0 0 "[ . 1 . 2]" 1
89 1 5 VAL HA 1 7 TYR H . . 4.770 4.523 4.514 4.526 . 0 0 "[ . 1 . 2]" 1
90 1 3 TYR QE 1 5 VAL MG1 . . 3.690 2.775 2.648 2.840 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR HB2 1 8 PRO HD3 . . 4.600 3.776 3.739 3.827 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR HB2 1 8 PRO HD2 . . 4.600 2.385 2.345 2.441 . 0 0 "[ . 1 . 2]" 1
93 1 7 TYR HB3 1 8 PRO HD3 . . 4.600 4.532 4.438 4.586 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR HB3 1 8 PRO HD2 . . 4.600 3.601 3.480 3.670 . 0 0 "[ . 1 . 2]" 1
95 1 3 TYR HB2 1 4 PRO HD2 . . 3.840 1.988 1.980 1.990 . 0 0 "[ . 1 . 2]" 1
96 1 3 TYR HB2 1 4 PRO HD3 . . 4.210 3.441 3.435 3.444 . 0 0 "[ . 1 . 2]" 1
97 1 3 TYR HB3 1 4 PRO HD2 . . 3.840 3.015 3.000 3.032 . 0 0 "[ . 1 . 2]" 1
98 1 3 TYR HB3 1 4 PRO HD3 . . 4.210 4.030 4.018 4.044 . 0 0 "[ . 1 . 2]" 1
99 1 1 GLY QA 1 3 TYR QD . . 4.260 4.128 3.845 4.267 0.007 4 0 "[ . 1 . 2]" 1
100 1 5 VAL MG2 1 6 PRO HD2 . . 4.220 3.607 3.591 3.614 . 0 0 "[ . 1 . 2]" 1
101 1 5 VAL MG2 1 6 PRO HD3 . . 4.800 4.526 4.517 4.530 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL MG1 1 6 PRO HD2 . . 3.800 2.899 2.822 2.956 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL MG1 1 6 PRO HD3 . . 4.000 3.627 3.611 3.655 . 0 0 "[ . 1 . 2]" 1
104 1 5 VAL MG2 1 10 PHE HA . . 3.220 2.013 1.951 2.063 . 0 0 "[ . 1 . 2]" 1
105 1 5 VAL HA 1 5 VAL MG1 . . 3.120 2.219 2.160 2.321 . 0 0 "[ . 1 . 2]" 1
106 1 5 VAL HB 1 6 PRO HD2 . . 3.180 1.942 1.930 1.947 . 0 0 "[ . 1 . 2]" 1
107 1 5 VAL HB 1 6 PRO HD3 . . 3.840 3.401 3.391 3.406 . 0 0 "[ . 1 . 2]" 1
108 1 2 CYS QB 1 3 TYR H . . 4.140 3.206 2.823 3.689 . 0 0 "[ . 1 . 2]" 1
109 1 3 TYR H 1 3 TYR QB . . 3.460 3.203 3.198 3.207 . 0 0 "[ . 1 . 2]" 1
110 1 3 TYR QB 1 4 PRO HD2 . . 3.230 1.962 1.956 1.964 . 0 0 "[ . 1 . 2]" 1
111 1 3 TYR QB 1 4 PRO HD3 . . 3.500 3.259 3.257 3.262 . 0 0 "[ . 1 . 2]" 1
112 1 4 PRO QB 1 5 VAL H . . 3.750 2.941 2.911 2.996 . 0 0 "[ . 1 . 2]" 1
113 1 5 VAL H 1 10 PHE QB . . 5.130 3.301 3.222 3.378 . 0 0 "[ . 1 . 2]" 1
114 1 6 PRO QB 1 7 TYR QD . . 5.340 3.968 3.825 4.111 . 0 0 "[ . 1 . 2]" 1
115 1 6 PRO QG 1 7 TYR H . . 4.550 1.937 1.933 1.947 . 0 0 "[ . 1 . 2]" 1
116 1 6 PRO QG 1 7 TYR QD . . 3.550 2.220 2.116 2.347 . 0 0 "[ . 1 . 2]" 1
117 1 6 PRO QG 1 7 TYR QE . . 4.620 3.783 3.484 4.023 . 0 0 "[ . 1 . 2]" 1
118 1 7 TYR H 1 7 TYR QB . . 3.680 2.585 2.529 2.680 . 0 0 "[ . 1 . 2]" 1
119 1 7 TYR HA 1 8 PRO QD . . 3.130 1.989 1.983 1.995 . 0 0 "[ . 1 . 2]" 1
120 1 7 TYR QB 1 8 PRO QD . . 3.080 2.323 2.291 2.366 . 0 0 "[ . 1 . 2]" 1
121 1 8 PRO QG 1 10 PHE QD . . 5.350 5.201 5.182 5.213 . 0 0 "[ . 1 . 2]" 1
122 1 9 PRO QD 1 11 PHE H . . 5.340 4.922 4.898 4.964 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE QB 1 11 PHE QD . . 4.210 3.176 3.004 3.255 . 0 0 "[ . 1 . 2]" 1
124 1 11 PHE QB 1 12 THR H . . 3.480 3.387 3.383 3.390 . 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 6
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 18.716
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0334
_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 3 TYR 0.912 0.064 18 0 "[ . 1 . 2]"
1 5 VAL 0.024 0.006 1 0 "[ . 1 . 2]"
1 10 PHE 0.024 0.006 1 0 "[ . 1 . 2]"
1 12 THR 0.912 0.064 18 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 3 TYR N 1 12 THR O . . 3.300 2.901 2.749 3.110 . 0 0 "[ . 1 . 2]" 2
2 1 3 TYR H 1 12 THR O . . 2.300 2.044 1.902 2.309 0.009 20 0 "[ . 1 . 2]" 2
3 1 5 VAL N 1 10 PHE O . . 3.300 3.098 3.020 3.185 . 0 0 "[ . 1 . 2]" 2
4 1 5 VAL H 1 10 PHE O . . 2.300 2.231 2.152 2.306 0.006 1 0 "[ . 1 . 2]" 2
5 1 3 TYR O 1 12 THR N . . 3.300 3.221 3.167 3.300 0.000 18 0 "[ . 1 . 2]" 2
6 1 3 TYR O 1 12 THR H . . 2.300 2.345 2.312 2.364 0.064 18 0 "[ . 1 . 2]" 2
stop_
save_