NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376075 |
1fdm   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fdm
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 107
_Distance_constraint_stats_list.Viol_count 263
_Distance_constraint_stats_list.Viol_total 1009.518
_Distance_constraint_stats_list.Viol_max 2.399
_Distance_constraint_stats_list.Viol_rms 0.1569
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.1919
_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 2 GLU 0.021 0.021 14 0 "[ . 1 . 2]"
1 3 GLY 0.021 0.021 14 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.017 0.017 13 0 "[ . 1 . 2]"
1 6 PRO 0.119 0.049 10 0 "[ . 1 . 2]"
1 7 ALA 0.102 0.049 10 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.609 0.075 2 0 "[ . 1 . 2]"
1 15 GLN 1.048 0.075 2 0 "[ . 1 . 2]"
1 18 ALA 1.704 0.177 3 0 "[ . 1 . 2]"
1 19 THR 0.749 0.127 2 0 "[ . 1 . 2]"
1 20 GLU 1.043 0.127 2 0 "[ . 1 . 2]"
1 21 TYR 0.668 0.086 15 0 "[ . 1 . 2]"
1 22 ILE 1.164 0.245 9 0 "[ . 1 . 2]"
1 23 GLY 0.057 0.048 6 0 "[ . 1 . 2]"
1 24 TYR 27.670 2.399 10 16 "[*********+ ***** -]"
1 25 ALA 1.704 0.177 3 0 "[ . 1 . 2]"
1 26 TRP 31.994 2.399 10 10 "[*****-***+ . 2]"
1 27 ALA 5.326 0.362 14 0 "[ . 1 . 2]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 2.643 0.482 19 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 8.231 0.304 7 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 3.224 0.204 14 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 5.704 0.304 7 0 "[ . 1 . 2]"
1 37 ILE 0.696 0.062 13 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.126 0.053 15 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PHE 0.152 0.053 15 0 "[ . 1 . 2]"
1 43 LYS 0.090 0.046 9 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.261 0.122 17 0 "[ . 1 . 2]"
1 46 THR 0.090 0.046 9 0 "[ . 1 . 2]"
1 47 SER 0.079 0.079 1 0 "[ . 1 . 2]"
1 48 LYS 0.079 0.079 1 0 "[ . 1 . 2]"
1 50 SER 0.261 0.122 17 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 GLU H 1 2 GLU QG 3.630 . 6.000 3.626 2.188 4.280 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU QB 1 3 GLY H 3.430 . 6.000 3.291 1.879 4.048 0.021 14 0 "[ . 1 . 2]" 1
3 1 7 ALA HA 1 8 LYS H 3.500 . 5.000 3.245 2.478 3.591 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP QB 1 8 LYS H 3.600 . 6.000 3.141 2.286 5.321 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS HA 1 9 ALA H 3.470 . 5.000 3.520 3.414 3.584 . 0 0 "[ . 1 . 2]" 1
6 1 5 ASP QB 1 9 ALA H 4.130 . 6.000 4.451 2.016 5.372 . 0 0 "[ . 1 . 2]" 1
7 1 12 ASP H 1 13 SER H 3.020 . 5.000 2.576 2.517 2.628 . 0 0 "[ . 1 . 2]" 1
8 1 13 SER H 1 14 LEU HG 3.610 . 5.000 3.890 3.797 4.007 . 0 0 "[ . 1 . 2]" 1
9 1 14 LEU H 1 15 GLN H . . 3.000 3.013 2.923 3.075 0.075 2 0 "[ . 1 . 2]" 1
10 1 13 SER HA 1 14 LEU H 3.790 . 5.000 3.575 3.557 3.595 . 0 0 "[ . 1 . 2]" 1
11 1 15 GLN H 1 15 GLN QG 3.330 . 6.000 3.317 2.123 4.103 . 0 0 "[ . 1 . 2]" 1
12 1 20 GLU H 1 20 GLU QG 3.180 . 6.000 2.871 1.782 4.390 0.118 7 0 "[ . 1 . 2]" 1
13 1 18 ALA MB 1 20 GLU H 3.720 . 6.000 4.036 2.866 5.050 . 0 0 "[ . 1 . 2]" 1
14 1 21 TYR H 1 21 TYR HB2 3.030 . 5.000 3.773 3.350 4.215 . 0 0 "[ . 1 . 2]" 1
15 1 18 ALA MB 1 21 TYR H 4.140 . 6.000 4.782 3.949 5.176 . 0 0 "[ . 1 . 2]" 1
16 1 22 ILE H 1 23 GLY H 3.500 . 5.000 2.800 1.852 3.733 0.048 6 0 "[ . 1 . 2]" 1
17 1 23 GLY H 1 24 TYR H 3.110 . 5.000 2.802 2.139 4.157 . 0 0 "[ . 1 . 2]" 1
18 1 20 GLU QG 1 23 GLY H 3.620 . 6.000 4.769 3.550 5.477 . 0 0 "[ . 1 . 2]" 1
19 1 21 TYR HA 1 22 ILE H 3.420 . 5.000 3.394 3.152 3.586 . 0 0 "[ . 1 . 2]" 1
20 1 22 ILE H 1 22 ILE HA 3.000 . 5.000 2.647 2.295 2.970 . 0 0 "[ . 1 . 2]" 1
21 1 21 TYR HB2 1 22 ILE H 4.280 . 5.000 4.000 2.715 4.428 . 0 0 "[ . 1 . 2]" 1
22 1 18 ALA H 1 25 ALA H 3.880 . 5.000 5.085 5.007 5.177 0.177 3 0 "[ . 1 . 2]" 1
23 1 21 TYR HB3 1 22 ILE H 3.910 . 5.000 4.250 3.836 4.613 . 0 0 "[ . 1 . 2]" 1
24 1 24 TYR HA 1 25 ALA H 3.420 . 5.000 3.084 2.517 3.533 . 0 0 "[ . 1 . 2]" 1
25 1 24 TYR QB 1 25 ALA H 3.350 . 6.000 3.690 3.114 3.980 . 0 0 "[ . 1 . 2]" 1
26 1 26 TRP HA 1 27 ALA H 3.090 . 5.000 3.228 2.714 3.516 . 0 0 "[ . 1 . 2]" 1
27 1 27 ALA HA 1 28 MET H 3.460 . 5.000 3.532 3.454 3.570 . 0 0 "[ . 1 . 2]" 1
28 1 26 TRP HA 1 29 VAL H 3.610 . 5.000 4.047 2.528 5.088 0.088 1 0 "[ . 1 . 2]" 1
29 1 27 ALA HA 1 30 VAL H 3.320 . 5.000 3.726 3.121 4.306 . 0 0 "[ . 1 . 2]" 1
30 1 28 MET HA 1 31 VAL H 3.270 . 5.000 3.403 3.094 3.860 . 0 0 "[ . 1 . 2]" 1
31 1 32 ILE H 1 33 VAL H . . 3.000 2.860 2.717 2.975 . 0 0 "[ . 1 . 2]" 1
32 1 35 ALA HA 1 36 THR H 3.740 . 5.000 3.662 3.636 3.688 . 0 0 "[ . 1 . 2]" 1
33 1 36 THR H 1 37 ILE H . . 3.000 3.034 2.975 3.062 0.062 13 0 "[ . 1 . 2]" 1
34 1 36 THR HA 1 37 ILE H 3.120 . 5.000 3.577 3.566 3.586 . 0 0 "[ . 1 . 2]" 1
35 1 35 ALA HA 1 38 GLY H 3.540 . 5.000 3.560 3.320 3.759 . 0 0 "[ . 1 . 2]" 1
36 1 35 ALA HA 1 39 ILE H 3.620 . 5.000 3.590 2.473 4.199 . 0 0 "[ . 1 . 2]" 1
37 1 37 ILE HA 1 40 LYS H 3.200 . 5.000 3.462 3.250 3.662 . 0 0 "[ . 1 . 2]" 1
38 1 38 GLY QA 1 41 LEU H 3.320 . 6.010 3.991 3.810 4.218 . 0 0 "[ . 1 . 2]" 1
39 1 45 PHE HA 1 46 THR H 3.080 . 5.000 3.200 2.625 3.586 . 0 0 "[ . 1 . 2]" 1
40 1 43 LYS HA 1 46 THR H 3.330 . 5.000 3.909 2.787 5.046 0.046 9 0 "[ . 1 . 2]" 1
41 1 44 LYS QB 1 46 THR H 3.550 . 6.000 4.625 3.522 5.181 . 0 0 "[ . 1 . 2]" 1
42 1 44 LYS QB 1 47 SER H 3.580 . 6.000 4.836 2.066 5.478 . 0 0 "[ . 1 . 2]" 1
43 1 47 SER QB 1 48 LYS H 3.270 . 6.000 2.677 1.821 3.985 0.079 1 0 "[ . 1 . 2]" 1
44 1 5 ASP H 1 8 LYS QB 4.200 . 6.000 4.461 2.921 5.213 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA MB 1 13 SER H 3.310 . 6.000 4.145 4.073 4.253 . 0 0 "[ . 1 . 2]" 1
46 1 22 ILE HA 1 26 TRP H 3.140 . 5.000 5.023 4.754 5.245 0.245 9 0 "[ . 1 . 2]" 1
47 1 38 GLY QA 1 42 PHE H 3.070 . 6.000 4.023 3.827 4.213 . 0 0 "[ . 1 . 2]" 1
48 1 39 ILE H 1 42 PHE H 3.040 . 5.000 4.931 4.751 5.053 0.053 15 0 "[ . 1 . 2]" 1
49 1 45 PHE H 1 50 SER H 3.150 . 5.000 4.879 4.284 5.122 0.122 17 0 "[ . 1 . 2]" 1
50 1 32 ILE HB 1 34 GLY H 3.810 . 5.000 5.161 5.004 5.204 0.204 14 0 "[ . 1 . 2]" 1
51 1 32 ILE HB 1 36 THR H 3.640 . 5.000 5.250 5.204 5.304 0.304 7 0 "[ . 1 . 2]" 1
52 1 36 THR H 1 36 THR MG 3.040 . 6.000 3.724 3.590 3.778 . 0 0 "[ . 1 . 2]" 1
53 1 32 ILE MG 1 36 THR H 3.090 . 6.000 4.216 3.007 4.772 . 0 0 "[ . 1 . 2]" 1
54 1 30 VAL H 1 32 ILE MG 3.510 . 6.000 4.407 3.971 4.853 . 0 0 "[ . 1 . 2]" 1
55 1 26 TRP HD1 1 27 ALA H 3.490 . 5.000 4.644 3.638 5.338 0.338 19 0 "[ . 1 . 2]" 1
56 1 19 THR H 1 22 ILE MG 3.950 . 6.000 4.743 4.313 5.073 . 0 0 "[ . 1 . 2]" 1
57 1 21 TYR H 1 21 TYR HD1 3.230 . 5.000 4.098 2.515 5.086 0.086 15 0 "[ . 1 . 2]" 1
58 1 21 TYR H 1 22 ILE MG 4.010 . 6.000 4.056 3.177 4.856 . 0 0 "[ . 1 . 2]" 1
59 1 24 TYR H 1 24 TYR HD1 3.750 . 5.000 3.997 2.129 5.323 0.323 9 0 "[ . 1 . 2]" 1
60 1 22 ILE MG 1 24 TYR H 4.630 . 6.000 3.731 2.219 4.902 . 0 0 "[ . 1 . 2]" 1
61 1 4 ASP H 1 8 LYS QZ 3.390 . 6.000 4.525 4.099 4.962 . 0 0 "[ . 1 . 2]" 1
62 1 5 ASP H 1 6 PRO HD3 3.130 . 5.000 4.242 2.659 4.780 . 0 0 "[ . 1 . 2]" 1
63 1 5 ASP H 1 6 PRO HD2 3.100 . 5.000 4.594 1.883 4.962 0.017 13 0 "[ . 1 . 2]" 1
64 1 6 PRO HD3 1 7 ALA H 3.100 . 5.000 4.251 3.600 5.049 0.049 10 0 "[ . 1 . 2]" 1
65 1 6 PRO HB2 1 7 ALA H 4.420 . 5.000 3.801 2.203 4.347 . 0 0 "[ . 1 . 2]" 1
66 1 19 THR MG 1 20 GLU H 3.380 . 6.000 2.301 1.773 3.979 0.127 2 0 "[ . 1 . 2]" 1
67 1 22 ILE MG 1 25 ALA H 4.380 . 6.000 3.937 1.961 5.133 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU H 1 14 LEU QD 3.240 . 6.000 2.697 1.844 3.159 0.056 9 0 "[ . 1 . 2]" 1
69 1 18 ALA H 1 19 THR MG 3.920 . 6.000 4.512 4.194 4.785 . 0 0 "[ . 1 . 2]" 1
70 1 22 ILE MG 1 26 TRP HE1 3.280 . 6.000 4.746 4.156 5.207 . 0 0 "[ . 1 . 2]" 1
71 1 15 GLN HE22 1 21 TYR HE1 3.600 . 5.000 4.296 2.063 5.068 0.068 17 0 "[ . 1 . 2]" 1
72 1 15 GLN HE22 1 21 TYR HE2 3.970 . 5.000 4.630 3.017 5.017 0.017 20 0 "[ . 1 . 2]" 1
73 1 21 TYR QE 1 24 TYR QD 3.250 . 9.200 6.479 5.719 7.062 . 0 0 "[ . 1 . 2]" 1
74 1 19 THR MG 1 21 TYR QE 4.020 . 8.200 5.744 4.165 6.185 . 0 0 "[ . 1 . 2]" 1
75 1 21 TYR HB3 1 21 TYR QD 3.030 . 7.200 2.375 2.317 2.573 . 0 0 "[ . 1 . 2]" 1
76 1 22 ILE MG 1 24 TYR QE 3.700 . 8.200 5.516 4.039 6.276 . 0 0 "[ . 1 . 2]" 1
77 1 24 TYR QB 1 24 TYR QD 3.340 . 7.200 2.186 2.100 2.291 . 0 0 "[ . 1 . 2]" 1
78 1 24 TYR QD 1 27 ALA MB 4.040 . 9.200 5.675 2.414 7.045 . 0 0 "[ . 1 . 2]" 1
79 1 21 TYR HA 1 24 TYR QD 3.280 . 7.200 5.682 4.416 6.547 . 0 0 "[ . 1 . 2]" 1
80 1 26 TRP HD1 1 27 ALA HA 4.090 . 5.000 5.064 4.657 5.362 0.362 14 0 "[ . 1 . 2]" 1
81 1 24 TYR QB 1 26 TRP HZ2 3.320 . 5.000 5.748 3.647 7.399 2.399 10 10 "[*****-***+ . 2]" 1
82 1 26 TRP HE3 1 29 VAL HB 3.770 . 5.000 4.728 3.223 5.482 0.482 19 0 "[ . 1 . 2]" 1
83 1 22 ILE MG 1 26 TRP HE3 3.780 . 6.000 3.958 2.161 5.215 . 0 0 "[ . 1 . 2]" 1
84 1 26 TRP HE3 1 27 ALA HA 3.960 . 5.000 5.026 4.295 5.263 0.263 11 0 "[ . 1 . 2]" 1
85 1 11 PHE QD 1 12 ASP H 3.890 . 7.200 4.279 3.801 4.551 . 0 0 "[ . 1 . 2]" 1
86 1 11 PHE H 1 11 PHE QD 3.740 . 7.200 3.474 2.889 4.025 . 0 0 "[ . 1 . 2]" 1
87 1 11 PHE QD 1 15 GLN HE21 3.650 . 7.200 5.832 4.013 6.722 . 0 0 "[ . 1 . 2]" 1
88 1 11 PHE QD 1 12 ASP HA 3.660 . 7.200 4.527 3.392 5.423 . 0 0 "[ . 1 . 2]" 1
89 1 11 PHE HB2 1 11 PHE QD 3.070 . 7.200 2.494 2.311 2.763 . 0 0 "[ . 1 . 2]" 1
90 1 11 PHE HB3 1 11 PHE QD 3.160 . 7.200 2.422 2.297 2.742 . 0 0 "[ . 1 . 2]" 1
91 1 11 PHE QE 1 14 LEU QB 3.940 . 8.200 6.400 5.925 6.784 . 0 0 "[ . 1 . 2]" 1
92 1 42 PHE QD 1 43 LYS H 3.910 . 7.200 4.107 3.188 4.549 . 0 0 "[ . 1 . 2]" 1
93 1 42 PHE H 1 42 PHE QD 3.930 . 7.200 3.317 2.235 4.218 . 0 0 "[ . 1 . 2]" 1
94 1 39 ILE HA 1 42 PHE QD 3.880 . 7.200 3.919 2.717 4.646 . 0 0 "[ . 1 . 2]" 1
95 1 45 PHE H 1 45 PHE QD 3.950 . 7.200 3.535 2.475 4.320 . 0 0 "[ . 1 . 2]" 1
96 1 45 PHE QD 1 46 THR HA 3.850 . 7.200 5.429 3.043 6.623 . 0 0 "[ . 1 . 2]" 1
97 1 15 GLN HE21 1 20 GLU HG2 4.050 . 5.000 4.494 1.894 5.067 0.067 4 0 "[ . 1 . 2]" 1
98 1 24 TYR HA 1 24 TYR HE1 4.050 . 5.000 4.891 4.042 5.626 0.626 18 6 "[ . 1 ****+ -]" 1
99 1 24 TYR H 1 24 TYR QD 3.440 . 7.200 3.438 2.123 4.397 . 0 0 "[ . 1 . 2]" 1
100 1 24 TYR HA 1 24 TYR HD1 3.080 . 5.000 2.859 2.032 3.616 . 0 0 "[ . 1 . 2]" 1
101 1 26 TRP HA 1 26 TRP HD1 3.890 . 5.000 4.166 3.730 4.469 . 0 0 "[ . 1 . 2]" 1
102 1 26 TRP QB 1 26 TRP HE3 3.530 . 7.000 2.806 2.483 3.104 . 0 0 "[ . 1 . 2]" 1
103 1 22 ILE MD 1 26 TRP HE3 3.810 . 6.000 3.591 2.200 5.015 . 0 0 "[ . 1 . 2]" 1
104 1 8 LYS HA 1 11 PHE QD 3.920 . 7.200 3.473 2.164 4.345 . 0 0 "[ . 1 . 2]" 1
105 1 42 PHE HA 1 42 PHE QD 3.150 . 7.200 2.336 1.876 2.995 0.024 15 0 "[ . 1 . 2]" 1
106 1 41 LEU HA 1 45 PHE QD 3.880 . 7.200 5.730 4.211 7.067 . 0 0 "[ . 1 . 2]" 1
107 1 45 PHE QD 1 46 THR HB 3.270 . 7.200 4.914 3.752 6.302 . 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 90
_Distance_constraint_stats_list.Viol_count 406
_Distance_constraint_stats_list.Viol_total 3415.669
_Distance_constraint_stats_list.Viol_max 5.683
_Distance_constraint_stats_list.Viol_rms 0.5049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0949
_Distance_constraint_stats_list.Viol_average_violations_only 0.4206
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.020 0.015 12 0 "[ . 1 . 2]"
1 4 ASP 0.020 0.015 12 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.043 0.043 5 0 "[ . 1 . 2]"
1 8 LYS 0.043 0.043 5 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.289 0.049 14 0 "[ . 1 . 2]"
1 11 PHE 0.107 0.019 5 0 "[ . 1 . 2]"
1 12 ASP 0.107 0.019 5 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.944 0.123 7 0 "[ . 1 . 2]"
1 15 GLN 0.655 0.123 7 0 "[ . 1 . 2]"
1 16 ALA 56.077 5.683 5 10 "[***-+***** . 2]"
1 17 SER 7.649 0.417 10 0 "[ . 1 . 2]"
1 18 ALA 19.547 2.077 11 10 "[ . 1+*****-***]"
1 19 THR 1.165 0.110 18 0 "[ . 1 . 2]"
1 20 GLU 6.930 0.423 18 0 "[ . 1 . 2]"
1 21 TYR 13.301 0.728 3 9 "[ + .* 1*-**. ***2]"
1 22 ILE 1.012 0.104 12 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.532 0.101 5 0 "[ . 1 . 2]"
1 25 ALA 0.467 0.101 5 0 "[ . 1 . 2]"
1 26 TRP 18.709 2.077 11 10 "[ . 1+*****-***]"
1 27 ALA 50.917 5.683 5 10 "[***-+***** . 2]"
1 28 MET 1.531 0.159 19 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.162 0.022 2 0 "[ . 1 . 2]"
1 32 ILE 0.952 0.080 15 0 "[ . 1 . 2]"
1 33 VAL 6.033 0.293 10 0 "[ . 1 . 2]"
1 34 GLY 0.293 0.037 15 0 "[ . 1 . 2]"
1 35 ALA 0.001 0.001 10 0 "[ . 1 . 2]"
1 36 THR 67.649 3.394 13 20 [*********-**+*******]
1 37 ILE 2.258 0.144 14 0 "[ . 1 . 2]"
1 38 GLY 6.245 0.284 10 0 "[ . 1 . 2]"
1 39 ILE 62.741 3.394 13 20 [*********-**+*******]
1 40 LYS 4.469 0.284 10 0 "[ . 1 . 2]"
1 41 LEU 0.051 0.025 8 0 "[ . 1 . 2]"
1 42 PHE 0.043 0.043 19 0 "[ . 1 . 2]"
1 43 LYS 0.474 0.096 2 0 "[ . 1 . 2]"
1 44 LYS 0.785 0.096 8 0 "[ . 1 . 2]"
1 45 PHE 0.886 0.096 8 0 "[ . 1 . 2]"
1 46 THR 0.120 0.047 9 0 "[ . 1 . 2]"
1 48 LYS 0.344 0.082 17 0 "[ . 1 . 2]"
1 49 ALA 0.224 0.059 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 2 GLU H 1 2 GLU QB 2.760 . 4.000 2.682 2.084 3.230 . 0 0 "[ . 1 . 2]" 2
2 1 2 GLU HA 1 3 GLY H 2.640 . 3.000 2.528 2.187 2.978 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLY H 1 4 ASP H 2.690 . 3.000 2.506 1.885 3.004 0.015 12 0 "[ . 1 . 2]" 2
4 1 4 ASP H 1 4 ASP HA 2.840 . 3.000 2.822 2.347 2.989 . 0 0 "[ . 1 . 2]" 2
5 1 3 GLY QA 1 4 ASP H 2.690 . 4.000 2.646 2.319 2.940 . 0 0 "[ . 1 . 2]" 2
6 1 5 ASP H 1 5 ASP HA 2.680 . 3.000 2.878 2.347 2.995 . 0 0 "[ . 1 . 2]" 2
7 1 5 ASP H 1 5 ASP QB 2.670 . 4.000 2.725 2.077 3.436 . 0 0 "[ . 1 . 2]" 2
8 1 7 ALA H 1 8 LYS H 2.600 . 3.000 2.575 1.857 2.988 0.043 5 0 "[ . 1 . 2]" 2
9 1 7 ALA H 1 7 ALA HA 2.620 . 3.000 2.799 2.345 2.992 . 0 0 "[ . 1 . 2]" 2
10 1 8 LYS H 1 8 LYS HA 2.760 . 3.010 2.831 2.740 2.919 . 0 0 "[ . 1 . 2]" 2
11 1 8 LYS H 1 9 ALA H 2.650 . 3.000 2.751 2.453 2.969 . 0 0 "[ . 1 . 2]" 2
12 1 8 LYS QB 1 9 ALA H 2.720 . 4.000 2.885 2.289 3.604 . 0 0 "[ . 1 . 2]" 2
13 1 10 ALA H 1 11 PHE H 2.990 . 3.000 2.757 2.633 2.858 . 0 0 "[ . 1 . 2]" 2
14 1 11 PHE H 1 12 ASP H 2.990 . 3.000 2.982 2.917 3.019 0.019 5 0 "[ . 1 . 2]" 2
15 1 12 ASP H 1 12 ASP HA 2.860 . 3.000 2.885 2.869 2.904 . 0 0 "[ . 1 . 2]" 2
16 1 11 PHE QB 1 12 ASP H 2.720 . 4.000 2.468 2.330 2.676 . 0 0 "[ . 1 . 2]" 2
17 1 13 SER H 1 13 SER HA 2.730 . 3.000 2.907 2.876 2.928 . 0 0 "[ . 1 . 2]" 2
18 1 12 ASP QB 1 13 SER H 2.840 . 4.000 2.822 2.540 3.533 . 0 0 "[ . 1 . 2]" 2
19 1 10 ALA HA 1 14 LEU H 2.730 . 3.000 3.006 2.939 3.049 0.049 14 0 "[ . 1 . 2]" 2
20 1 10 ALA MB 1 14 LEU H 2.850 . 4.000 3.209 3.111 3.323 . 0 0 "[ . 1 . 2]" 2
21 1 15 GLN H 1 16 ALA H 2.850 . 3.000 2.716 2.438 2.954 . 0 0 "[ . 1 . 2]" 2
22 1 14 LEU HG 1 15 GLN H 2.520 . 3.000 2.240 1.862 3.123 0.123 7 0 "[ . 1 . 2]" 2
23 1 16 ALA H 1 16 ALA HA 2.740 . 3.000 2.791 2.737 2.907 . 0 0 "[ . 1 . 2]" 2
24 1 16 ALA HA 1 17 SER H 2.770 . 3.000 3.352 3.188 3.417 0.417 10 0 "[ . 1 . 2]" 2
25 1 17 SER H 1 17 SER HA 2.860 . 3.000 2.923 2.895 2.935 . 0 0 "[ . 1 . 2]" 2
26 1 16 ALA MB 1 17 SER H 2.560 . 4.000 2.582 1.800 3.351 0.100 5 0 "[ . 1 . 2]" 2
27 1 17 SER HA 1 18 ALA H 2.710 . 3.000 2.730 2.238 3.122 0.122 19 0 "[ . 1 . 2]" 2
28 1 18 ALA H 1 19 THR H 2.930 . 3.000 3.031 2.725 3.110 0.110 18 0 "[ . 1 . 2]" 2
29 1 20 GLU H 1 20 GLU QB 2.510 . 4.000 2.838 2.266 3.516 . 0 0 "[ . 1 . 2]" 2
30 1 20 GLU H 1 20 GLU HA 2.650 . 3.000 2.847 2.373 2.994 . 0 0 "[ . 1 . 2]" 2
31 1 20 GLU QB 1 21 TYR H 2.890 . 4.000 2.421 1.715 3.833 0.185 7 0 "[ . 1 . 2]" 2
32 1 21 TYR H 1 22 ILE H 2.840 . 3.000 2.345 1.860 3.063 0.063 20 0 "[ . 1 . 2]" 2
33 1 21 TYR H 1 21 TYR HA 2.970 . 3.000 2.756 2.333 2.943 . 0 0 "[ . 1 . 2]" 2
34 1 20 GLU HA 1 21 TYR H 2.750 . 3.000 3.243 2.490 3.423 0.423 18 0 "[ . 1 . 2]" 2
35 1 21 TYR H 1 21 TYR HB3 2.840 . 3.000 3.229 2.531 3.728 0.728 3 9 "[ + .* 1*-**. ***2]" 2
36 1 20 GLU QB 1 22 ILE H 2.810 . 4.000 3.407 2.741 3.835 . 0 0 "[ . 1 . 2]" 2
37 1 24 TYR H 1 24 TYR QB 2.860 . 4.000 2.564 2.018 3.038 . 0 0 "[ . 1 . 2]" 2
38 1 24 TYR H 1 25 ALA H 2.860 . 3.000 2.810 1.879 3.101 0.101 5 0 "[ . 1 . 2]" 2
39 1 18 ALA H 1 26 TRP H 2.840 . 5.000 5.903 5.002 7.077 2.077 11 10 "[ . 1+*****-***]" 2
40 1 26 TRP H 1 27 ALA H 2.820 . 3.000 2.470 1.801 3.044 0.099 14 0 "[ . 1 . 2]" 2
41 1 27 ALA H 1 27 ALA HA 2.680 . 3.000 2.884 2.780 2.984 . 0 0 "[ . 1 . 2]" 2
42 1 26 TRP QB 1 27 ALA H 2.820 . 4.000 3.716 3.472 3.912 . 0 0 "[ . 1 . 2]" 2
43 1 27 ALA H 1 28 MET H . . 2.500 2.557 2.346 2.659 0.159 19 0 "[ . 1 . 2]" 2
44 1 27 ALA MB 1 28 MET H 2.600 . 4.000 2.297 1.884 2.918 0.016 1 0 "[ . 1 . 2]" 2
45 1 29 VAL H 1 29 VAL HA 2.700 . 3.000 2.833 2.766 2.879 . 0 0 "[ . 1 . 2]" 2
46 1 28 MET QB 1 29 VAL H 2.600 . 4.000 2.959 2.278 3.663 . 0 0 "[ . 1 . 2]" 2
47 1 31 VAL H 1 32 ILE H 2.790 . 3.000 2.955 2.754 3.022 0.022 2 0 "[ . 1 . 2]" 2
48 1 31 VAL HB 1 32 ILE H 2.730 . 3.000 2.383 2.070 2.911 . 0 0 "[ . 1 . 2]" 2
49 1 33 VAL H 1 33 VAL HB 2.590 . 3.000 2.604 2.490 2.759 . 0 0 "[ . 1 . 2]" 2
50 1 33 VAL H 1 34 GLY H 2.870 . 3.000 2.773 2.721 2.881 . 0 0 "[ . 1 . 2]" 2
51 1 33 VAL HB 1 34 GLY H 2.820 . 3.000 3.003 2.908 3.037 0.037 15 0 "[ . 1 . 2]" 2
52 1 35 ALA H 1 36 THR H 2.830 . 3.000 2.869 2.713 3.001 0.001 10 0 "[ . 1 . 2]" 2
53 1 35 ALA H 1 35 ALA HA 2.570 . 3.000 2.869 2.844 2.893 . 0 0 "[ . 1 . 2]" 2
54 1 36 THR H 1 36 THR HA 2.900 . 3.000 2.823 2.791 2.853 . 0 0 "[ . 1 . 2]" 2
55 1 36 THR H 1 36 THR HB 2.850 . 3.000 2.730 2.438 3.010 0.010 16 0 "[ . 1 . 2]" 2
56 1 33 VAL HA 1 36 THR H 2.900 . 3.000 3.265 3.237 3.293 0.293 10 0 "[ . 1 . 2]" 2
57 1 35 ALA MB 1 36 THR H 2.700 . 4.000 2.444 2.278 2.608 . 0 0 "[ . 1 . 2]" 2
58 1 33 VAL HA 1 37 ILE H 2.630 . 3.000 2.970 2.690 3.060 0.060 9 0 "[ . 1 . 2]" 2
59 1 37 ILE H 1 38 GLY H 2.910 . 3.000 2.681 2.578 2.819 . 0 0 "[ . 1 . 2]" 2
60 1 37 ILE HB 1 38 GLY H 2.680 . 3.000 3.091 3.036 3.144 0.144 14 0 "[ . 1 . 2]" 2
61 1 39 ILE H 1 40 LYS H 2.830 . 3.000 2.600 2.522 2.694 . 0 0 "[ . 1 . 2]" 2
62 1 36 THR HB 1 39 ILE H 2.540 . 3.000 6.116 5.639 6.394 3.394 13 20 [*********-**+*******] 2
63 1 38 GLY H 1 40 LYS H 2.520 . 3.000 3.221 3.187 3.284 0.284 10 0 "[ . 1 . 2]" 2
64 1 40 LYS H 1 40 LYS HA 2.670 . 3.000 2.915 2.884 2.940 . 0 0 "[ . 1 . 2]" 2
65 1 40 LYS H 1 41 LEU H 2.910 . 3.000 2.912 2.730 3.025 0.025 8 0 "[ . 1 . 2]" 2
66 1 42 PHE H 1 43 LYS H 2.830 . 3.000 2.801 2.583 2.911 . 0 0 "[ . 1 . 2]" 2
67 1 43 LYS H 1 44 LYS H 2.930 . 3.000 2.732 2.460 3.012 0.012 5 0 "[ . 1 . 2]" 2
68 1 39 ILE HA 1 43 LYS H 2.750 . 3.000 2.977 2.716 3.096 0.096 2 0 "[ . 1 . 2]" 2
69 1 42 PHE QB 1 43 LYS H 2.780 . 4.000 2.280 1.857 2.712 0.043 19 0 "[ . 1 . 2]" 2
70 1 44 LYS H 1 45 PHE H . . 2.500 2.535 2.439 2.596 0.096 8 0 "[ . 1 . 2]" 2
71 1 45 PHE H 1 45 PHE HA 2.680 . 3.000 2.854 2.351 2.999 . 0 0 "[ . 1 . 2]" 2
72 1 45 PHE H 1 45 PHE QB 2.660 . 4.000 2.531 2.062 3.529 . 0 0 "[ . 1 . 2]" 2
73 1 45 PHE H 1 46 THR H 2.690 . 3.000 2.569 1.863 3.047 0.047 9 0 "[ . 1 . 2]" 2
74 1 48 LYS H 1 49 ALA H . . 2.500 2.211 1.884 2.559 0.059 15 0 "[ . 1 . 2]" 2
75 1 48 LYS H 1 48 LYS HA 2.510 . 3.000 2.891 2.339 2.994 . 0 0 "[ . 1 . 2]" 2
76 1 48 LYS H 1 48 LYS QG 2.540 . 4.000 2.885 1.818 3.638 0.082 17 0 "[ . 1 . 2]" 2
77 1 48 LYS QB 1 49 ALA H 2.720 . 4.000 3.300 2.334 3.699 . 0 0 "[ . 1 . 2]" 2
78 1 15 GLN H 1 23 GLY QA 2.710 . 6.000 5.283 4.993 5.433 . 0 0 "[ . 1 . 2]" 2
79 1 23 GLY H 1 23 GLY QA 2.650 . 4.000 2.260 2.225 2.339 . 0 0 "[ . 1 . 2]" 2
80 1 26 TRP H 1 26 TRP HA 2.670 . 3.000 2.851 2.715 2.992 . 0 0 "[ . 1 . 2]" 2
81 1 16 ALA H 1 23 GLY QA 2.940 . 6.000 3.632 3.361 4.066 . 0 0 "[ . 1 . 2]" 2
82 1 41 LEU H 1 42 PHE H 2.770 . 3.000 2.656 2.449 2.836 . 0 0 "[ . 1 . 2]" 2
83 1 16 ALA H 1 27 ALA H 2.490 . 5.000 7.433 4.866 10.683 5.683 5 10 "[***-+***** . 2]" 2
84 1 32 ILE H 1 32 ILE MG 2.520 . 4.000 2.157 1.820 3.210 0.080 15 0 "[ . 1 . 2]" 2
85 1 22 ILE H 1 22 ILE MG 2.700 . 4.000 2.494 1.796 3.373 0.104 12 0 "[ . 1 . 2]" 2
86 1 32 ILE MG 1 35 ALA H 2.960 . 6.000 4.696 4.391 4.868 . 0 0 "[ . 1 . 2]" 2
87 1 19 THR H 1 19 THR MG 2.750 . 4.000 2.246 1.860 2.556 0.040 12 0 "[ . 1 . 2]" 2
88 1 21 TYR HA 1 21 TYR QD 2.990 . 5.200 3.652 3.332 3.714 . 0 0 "[ . 1 . 2]" 2
89 1 24 TYR QE 1 26 TRP HZ2 2.760 . 5.200 4.209 3.486 5.006 . 0 0 "[ . 1 . 2]" 2
90 1 24 TYR QE 1 26 TRP HE3 2.760 . 5.000 4.720 4.120 5.024 0.024 11 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 205.052
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0590
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.1266
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.069 0.038 19 0 "[ . 1 . 2]"
1 5 ASP 0.069 0.038 19 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.251 0.053 3 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 MET 5.180 0.340 12 0 "[ . 1 . 2]"
1 29 VAL 0.025 0.015 20 0 "[ . 1 . 2]"
1 31 VAL 0.113 0.045 12 0 "[ . 1 . 2]"
1 32 ILE 1.512 0.147 16 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.237 0.062 5 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 2.866 0.309 18 0 "[ . 1 . 2]"
1 47 SER 0.292 0.048 13 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 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 3 GLY H 1 3 GLY QA 2.460 . 3.500 2.406 2.242 2.529 . 0 0 "[ . 1 . 2]" 3
2 1 4 ASP H 1 4 ASP QB 2.480 . 3.500 2.725 2.122 3.136 . 0 0 "[ . 1 . 2]" 3
3 1 4 ASP HA 1 5 ASP H 2.450 . 2.500 2.344 2.193 2.538 0.038 19 0 "[ . 1 . 2]" 3
4 1 7 ALA H 1 7 ALA MB 2.180 . 3.500 2.557 2.052 2.964 . 0 0 "[ . 1 . 2]" 3
5 1 8 LYS H 1 8 LYS QB 2.340 . 3.500 2.244 2.076 2.758 . 0 0 "[ . 1 . 2]" 3
6 1 12 ASP H 1 12 ASP QB 2.500 . 3.500 2.275 2.092 2.581 . 0 0 "[ . 1 . 2]" 3
7 1 13 SER H 1 13 SER QB 2.480 . 3.500 2.190 2.074 2.554 . 0 0 "[ . 1 . 2]" 3
8 1 14 LEU H 1 14 LEU HG 2.460 . 2.500 2.312 1.858 2.553 0.053 3 0 "[ . 1 . 2]" 3
9 1 16 ALA H 1 16 ALA MB 2.350 . 3.500 2.173 2.060 2.275 . 0 0 "[ . 1 . 2]" 3
10 1 17 SER H 1 17 SER QB 2.480 . 3.500 2.422 2.099 2.984 . 0 0 "[ . 1 . 2]" 3
11 1 26 TRP H 1 26 TRP QB 2.390 . 3.500 2.598 2.120 3.297 . 0 0 "[ . 1 . 2]" 3
12 1 27 ALA H 1 27 ALA MB 2.330 . 3.500 2.289 2.064 2.567 . 0 0 "[ . 1 . 2]" 3
13 1 28 MET H 1 28 MET HA 2.490 . 2.500 2.759 2.700 2.840 0.340 12 0 "[ . 1 . 2]" 3
14 1 28 MET H 1 28 MET QB 2.210 . 3.500 2.288 2.037 2.661 . 0 0 "[ . 1 . 2]" 3
15 1 29 VAL H 1 29 VAL HB 2.470 . 2.500 2.302 2.033 2.515 0.015 20 0 "[ . 1 . 2]" 3
16 1 31 VAL H 1 31 VAL HB 2.340 . 2.500 2.458 2.346 2.545 0.045 12 0 "[ . 1 . 2]" 3
17 1 34 GLY QA 1 35 ALA H 2.330 . 3.500 2.593 2.544 2.634 . 0 0 "[ . 1 . 2]" 3
18 1 35 ALA H 1 35 ALA MB 2.230 . 3.500 2.128 2.032 2.257 . 0 0 "[ . 1 . 2]" 3
19 1 38 GLY H 1 38 GLY QA 2.240 . 3.500 2.264 2.253 2.276 . 0 0 "[ . 1 . 2]" 3
20 1 42 PHE H 1 42 PHE QB 2.420 . 3.500 2.183 2.075 2.498 . 0 0 "[ . 1 . 2]" 3
21 1 44 LYS H 1 44 LYS QB 2.120 . 3.500 2.166 2.068 2.286 . 0 0 "[ . 1 . 2]" 3
22 1 44 LYS QB 1 45 PHE H 2.490 . 3.500 2.962 2.446 3.218 . 0 0 "[ . 1 . 2]" 3
23 1 46 THR H 1 47 SER H 2.470 . 2.500 2.331 1.887 2.548 0.048 13 0 "[ . 1 . 2]" 3
24 1 47 SER H 1 47 SER QB 2.220 . 3.500 2.713 2.158 3.193 . 0 0 "[ . 1 . 2]" 3
25 1 48 LYS H 1 48 LYS QB 2.260 . 3.500 2.624 2.089 3.127 . 0 0 "[ . 1 . 2]" 3
26 1 49 ALA H 1 49 ALA MB 2.220 . 3.500 2.519 2.058 2.986 . 0 0 "[ . 1 . 2]" 3
27 1 46 THR H 1 46 THR HA 2.360 . 2.500 2.556 2.344 2.809 0.309 18 0 "[ . 1 . 2]" 3
28 1 32 ILE H 1 32 ILE HB 2.350 . 2.500 2.488 2.106 2.647 0.147 16 0 "[ . 1 . 2]" 3
29 1 22 ILE QG 1 25 ALA H 2.450 . 3.500 2.916 2.441 3.275 . 0 0 "[ . 1 . 2]" 3
30 1 39 ILE H 1 39 ILE HB 2.270 . 2.500 2.425 2.102 2.562 0.062 5 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 79.509
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.0427
_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 27 ALA 0.440 0.115 14 0 "[ . 1 . 2]"
1 28 MET 0.119 0.072 16 0 "[ . 1 . 2]"
1 29 VAL 0.300 0.082 9 0 "[ . 1 . 2]"
1 30 VAL 0.447 0.110 10 0 "[ . 1 . 2]"
1 31 VAL 1.806 0.125 14 0 "[ . 1 . 2]"
1 32 ILE 0.119 0.072 16 0 "[ . 1 . 2]"
1 33 VAL 0.341 0.082 9 0 "[ . 1 . 2]"
1 34 GLY 0.708 0.110 10 0 "[ . 1 . 2]"
1 35 ALA 1.366 0.125 14 0 "[ . 1 . 2]"
1 36 THR 0.059 0.033 11 0 "[ . 1 . 2]"
1 37 ILE 0.500 0.082 13 0 "[ . 1 . 2]"
1 38 GLY 0.270 0.080 10 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.533 0.059 8 0 "[ . 1 . 2]"
1 41 LEU 0.459 0.082 13 0 "[ . 1 . 2]"
1 42 PHE 0.009 0.009 10 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.474 0.059 8 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 27 ALA O 1 31 VAL H 1.900 . 2.300 2.273 2.052 2.415 0.115 14 0 "[ . 1 . 2]" 4
2 1 28 MET O 1 32 ILE H 1.900 . 2.300 2.154 2.050 2.372 0.072 16 0 "[ . 1 . 2]" 4
3 1 29 VAL O 1 33 VAL H 1.900 . 2.300 2.251 2.067 2.382 0.082 9 0 "[ . 1 . 2]" 4
4 1 30 VAL O 1 34 GLY H 1.900 . 2.300 2.310 2.236 2.410 0.110 10 0 "[ . 1 . 2]" 4
5 1 31 VAL O 1 35 ALA H 1.900 . 2.300 2.368 2.330 2.425 0.125 14 0 "[ . 1 . 2]" 4
6 1 32 ILE O 1 36 THR H 1.900 . 2.300 1.808 1.744 1.860 . 0 0 "[ . 1 . 2]" 4
7 1 33 VAL O 1 37 ILE H 1.900 . 2.300 2.124 2.052 2.341 0.041 11 0 "[ . 1 . 2]" 4
8 1 34 GLY O 1 38 GLY H 1.900 . 2.300 2.264 2.130 2.380 0.080 10 0 "[ . 1 . 2]" 4
9 1 35 ALA O 1 39 ILE H 1.900 . 2.300 2.064 2.027 2.121 . 0 0 "[ . 1 . 2]" 4
10 1 36 THR O 1 40 LYS H 1.900 . 2.300 2.130 2.051 2.333 0.033 11 0 "[ . 1 . 2]" 4
11 1 37 ILE O 1 41 LEU H 1.900 . 2.300 2.296 2.102 2.382 0.082 13 0 "[ . 1 . 2]" 4
12 1 38 GLY O 1 42 PHE H 1.900 . 2.300 2.124 2.043 2.309 0.009 10 0 "[ . 1 . 2]" 4
13 1 39 ILE O 1 43 LYS H 1.900 . 2.300 2.089 2.056 2.148 . 0 0 "[ . 1 . 2]" 4
14 1 40 LYS O 1 44 LYS H 1.900 . 2.300 2.305 2.096 2.359 0.059 8 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 14
_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 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 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 27 ALA O 1 31 VAL N 2.850 2.300 3.400 3.187 2.808 3.399 . 0 0 "[ . 1 . 2]" 5
2 1 28 MET O 1 32 ILE N 2.850 2.300 3.400 3.067 2.849 3.275 . 0 0 "[ . 1 . 2]" 5
3 1 29 VAL O 1 33 VAL N 2.850 2.300 3.400 3.183 3.003 3.367 . 0 0 "[ . 1 . 2]" 5
4 1 30 VAL O 1 34 GLY N 2.850 2.300 3.400 3.045 2.940 3.265 . 0 0 "[ . 1 . 2]" 5
5 1 31 VAL O 1 35 ALA N 2.850 2.300 3.400 3.280 3.220 3.357 . 0 0 "[ . 1 . 2]" 5
6 1 32 ILE O 1 36 THR N 2.850 2.300 3.400 2.711 2.641 2.765 . 0 0 "[ . 1 . 2]" 5
7 1 33 VAL O 1 37 ILE N 2.850 2.300 3.400 2.938 2.827 3.134 . 0 0 "[ . 1 . 2]" 5
8 1 34 GLY O 1 38 GLY N 2.850 2.300 3.400 2.815 2.687 3.031 . 0 0 "[ . 1 . 2]" 5
9 1 35 ALA O 1 39 ILE N 2.850 2.300 3.400 2.948 2.771 3.039 . 0 0 "[ . 1 . 2]" 5
10 1 36 THR O 1 40 LYS N 2.850 2.300 3.400 2.794 2.689 3.048 . 0 0 "[ . 1 . 2]" 5
11 1 37 ILE O 1 41 LEU N 2.850 2.300 3.400 3.244 3.075 3.364 . 0 0 "[ . 1 . 2]" 5
12 1 38 GLY O 1 42 PHE N 2.850 2.300 3.400 3.013 2.845 3.195 . 0 0 "[ . 1 . 2]" 5
13 1 39 ILE O 1 43 LYS N 2.850 2.300 3.400 2.925 2.808 2.995 . 0 0 "[ . 1 . 2]" 5
14 1 40 LYS O 1 44 LYS N 2.850 2.300 3.400 2.889 2.514 3.274 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 46.637
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0167
_Distance_constraint_stats_list.Viol_average_violations_only 0.0382
_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 7 ALA 0.052 0.017 1 0 "[ . 1 . 2]"
1 8 LYS 0.104 0.050 7 0 "[ . 1 . 2]"
1 9 ALA 0.498 0.065 14 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 0.790 0.088 7 0 "[ . 1 . 2]"
1 12 ASP 0.104 0.050 7 0 "[ . 1 . 2]"
1 13 SER 1.438 0.123 4 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.737 0.088 7 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.940 0.123 4 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 7 ALA O 1 11 PHE H 1.900 . 2.300 2.202 2.098 2.317 0.017 1 0 "[ . 1 . 2]" 6
2 1 8 LYS O 1 12 ASP H 1.900 . 2.300 2.245 2.093 2.350 0.050 7 0 "[ . 1 . 2]" 6
3 1 9 ALA O 1 13 SER H 1.900 . 2.300 2.317 2.223 2.365 0.065 14 0 "[ . 1 . 2]" 6
4 1 10 ALA O 1 14 LEU H 1.900 . 2.300 2.029 1.990 2.062 . 0 0 "[ . 1 . 2]" 6
5 1 11 PHE O 1 15 GLN H 1.900 . 2.300 2.336 2.290 2.388 0.088 7 0 "[ . 1 . 2]" 6
6 1 12 ASP O 1 16 ALA H 1.900 . 2.300 2.152 2.081 2.299 . 0 0 "[ . 1 . 2]" 6
7 1 13 SER O 1 17 SER H 1.900 . 2.300 2.312 2.078 2.423 0.123 4 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 7
_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 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 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 7 ALA O 1 11 PHE N 2.850 2.300 3.400 3.110 2.873 3.292 . 0 0 "[ . 1 . 2]" 7
2 1 8 LYS O 1 12 ASP N 2.850 2.300 3.400 3.166 2.992 3.246 . 0 0 "[ . 1 . 2]" 7
3 1 9 ALA O 1 13 SER N 2.850 2.300 3.400 3.235 3.118 3.320 . 0 0 "[ . 1 . 2]" 7
4 1 10 ALA O 1 14 LEU N 2.850 2.300 3.400 2.634 2.590 2.684 . 0 0 "[ . 1 . 2]" 7
5 1 11 PHE O 1 15 GLN N 2.850 2.300 3.400 3.113 3.031 3.229 . 0 0 "[ . 1 . 2]" 7
6 1 12 ASP O 1 16 ALA N 2.850 2.300 3.400 3.013 2.778 3.262 . 0 0 "[ . 1 . 2]" 7
7 1 13 SER O 1 17 SER N 2.850 2.300 3.400 3.056 2.717 3.235 . 0 0 "[ . 1 . 2]" 7
stop_
save_
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