NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626000 |
6cfb   |
30409 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cfb
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 266
_Distance_constraint_stats_list.Viol_count 433
_Distance_constraint_stats_list.Viol_total 422.988
_Distance_constraint_stats_list.Viol_max 0.226
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0488
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.318 0.044 13 0 "[ . 1 . 2]"
1 5 CYS 1.387 0.122 5 0 "[ . 1 . 2]"
1 6 PHE 1.492 0.122 5 0 "[ . 1 . 2]"
1 7 CYS 1.353 0.169 6 0 "[ . 1 . 2]"
1 8 VAL 3.876 0.226 6 0 "[ . 1 . 2]"
1 9 GLU 2.768 0.185 7 0 "[ . 1 . 2]"
1 10 ASP 1.687 0.076 8 0 "[ . 1 . 2]"
1 11 GLU 0.978 0.076 3 0 "[ . 1 . 2]"
1 12 THR 0.596 0.076 3 0 "[ . 1 . 2]"
1 13 SER 2.036 0.079 19 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.624 0.058 7 0 "[ . 1 . 2]"
1 16 LYS 1.952 0.102 19 0 "[ . 1 . 2]"
1 17 THR 0.504 0.073 6 0 "[ . 1 . 2]"
1 18 CYS 1.885 0.120 13 0 "[ . 1 . 2]"
1 19 VAL 1.589 0.120 13 0 "[ . 1 . 2]"
1 20 PRO 1.379 0.078 11 0 "[ . 1 . 2]"
1 21 ASP 1.043 0.067 1 0 "[ . 1 . 2]"
1 22 ASN 2.771 0.157 16 0 "[ . 1 . 2]"
1 23 CYS 3.016 0.134 7 0 "[ . 1 . 2]"
1 24 ASP 3.236 0.134 7 0 "[ . 1 . 2]"
1 25 ALA 1.996 0.124 19 0 "[ . 1 . 2]"
1 26 SER 0.921 0.123 11 0 "[ . 1 . 2]"
1 27 ARG 0.655 0.106 15 0 "[ . 1 . 2]"
1 28 GLY 0.308 0.102 4 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 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 18 CYS H 1 18 CYS HB3 2.845 . 3.890 3.765 3.682 3.847 . 0 0 "[ . 1 . 2]" 1
2 1 18 CYS H 1 18 CYS HB2 2.380 . 2.960 2.706 2.593 2.813 . 0 0 "[ . 1 . 2]" 1
3 1 17 THR H 1 17 THR HB 2.505 . 3.210 2.894 2.487 3.228 0.018 17 0 "[ . 1 . 2]" 1
4 1 7 CYS H 1 7 CYS HB2 2.565 . 3.330 2.645 2.539 2.790 . 0 0 "[ . 1 . 2]" 1
5 1 7 CYS H 1 7 CYS HB3 2.890 . 3.980 3.750 3.685 3.840 . 0 0 "[ . 1 . 2]" 1
6 1 9 GLU HA 1 16 LYS H 2.845 . 3.890 3.917 3.602 3.992 0.102 19 0 "[ . 1 . 2]" 1
7 1 2 VAL H 1 2 VAL HB 2.985 . 4.170 2.989 2.487 3.820 . 0 0 "[ . 1 . 2]" 1
8 1 3 SER H 1 3 SER HB2 2.875 . 3.950 2.653 2.465 3.493 . 0 0 "[ . 1 . 2]" 1
9 1 3 SER H 1 3 SER HB3 2.875 . 3.950 3.469 2.366 3.909 . 0 0 "[ . 1 . 2]" 1
10 1 14 GLY H 1 14 GLY HA2 2.195 . 2.590 2.305 2.271 2.345 . 0 0 "[ . 1 . 2]" 1
11 1 5 CYS H 1 5 CYS HB2 2.565 . 3.330 2.633 2.434 2.900 . 0 0 "[ . 1 . 2]" 1
12 1 5 CYS H 1 5 CYS HB3 2.505 . 3.210 2.513 2.395 2.625 . 0 0 "[ . 1 . 2]" 1
13 1 26 SER HA 1 27 ARG H 2.425 . 3.050 2.457 2.131 3.156 0.106 15 0 "[ . 1 . 2]" 1
14 1 29 THR H 1 29 THR HB 2.890 . 3.980 2.804 2.397 3.609 . 0 0 "[ . 1 . 2]" 1
15 1 11 GLU H 1 11 GLU HB3 2.750 . 3.700 2.976 2.470 3.603 . 0 0 "[ . 1 . 2]" 1
16 1 8 VAL H 1 8 VAL HB 2.595 . 3.390 2.988 2.781 3.616 0.226 6 0 "[ . 1 . 2]" 1
17 1 4 PRO HB3 1 5 CYS H 2.675 . 3.550 3.439 3.036 3.594 0.044 13 0 "[ . 1 . 2]" 1
18 1 10 ASP H 1 10 ASP HB3 2.350 . 2.900 2.494 2.393 2.592 . 0 0 "[ . 1 . 2]" 1
19 1 10 ASP H 1 10 ASP HB2 2.425 . 3.050 2.799 2.589 3.007 . 0 0 "[ . 1 . 2]" 1
20 1 6 PHE HA 1 7 CYS H 2.365 . 2.930 2.205 2.119 2.375 . 0 0 "[ . 1 . 2]" 1
21 1 5 CYS HB3 1 6 PHE H 3.185 . 4.570 4.166 3.727 4.399 . 0 0 "[ . 1 . 2]" 1
22 1 5 CYS HB2 1 6 PHE H 3.140 . 4.480 4.317 3.951 4.487 0.007 5 0 "[ . 1 . 2]" 1
23 1 5 CYS HA 1 6 PHE H 2.195 . 2.590 2.131 2.027 2.257 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO HA 1 5 CYS H 2.315 . 2.830 2.203 2.079 2.640 . 0 0 "[ . 1 . 2]" 1
25 1 7 CYS HA 1 8 VAL H 2.160 . 2.520 2.166 2.007 2.270 . 0 0 "[ . 1 . 2]" 1
26 1 7 CYS HB2 1 8 VAL H 2.780 . 3.760 3.818 3.709 3.929 0.169 6 0 "[ . 1 . 2]" 1
27 1 7 CYS HB3 1 8 VAL H 2.505 . 3.210 2.802 2.558 3.028 . 0 0 "[ . 1 . 2]" 1
28 1 16 LYS H 1 16 LYS QB 2.790 . 3.780 2.244 2.147 2.361 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLU H 1 9 GLU HB3 2.735 . 3.670 2.565 2.427 2.688 . 0 0 "[ . 1 . 2]" 1
30 1 21 ASP H 1 21 ASP HB3 2.625 . 3.450 2.511 2.402 2.663 . 0 0 "[ . 1 . 2]" 1
31 1 25 ALA HA 1 26 SER H 2.535 . 3.270 2.967 2.138 3.393 0.123 11 0 "[ . 1 . 2]" 1
32 1 15 ALA HA 1 16 LYS H 2.195 . 2.590 2.302 2.098 2.597 0.007 13 0 "[ . 1 . 2]" 1
33 1 27 ARG HA 1 28 GLY H 2.580 . 3.360 2.501 2.047 3.419 0.059 14 0 "[ . 1 . 2]" 1
34 1 16 LYS HA 1 17 THR H 2.180 . 2.560 2.051 1.965 2.147 . 0 0 "[ . 1 . 2]" 1
35 1 17 THR HA 1 18 CYS H 2.160 . 2.520 2.291 2.203 2.390 . 0 0 "[ . 1 . 2]" 1
36 1 19 VAL H 1 19 VAL HB 2.535 . 3.270 2.881 2.672 3.309 0.039 3 0 "[ . 1 . 2]" 1
37 1 18 CYS HA 1 19 VAL H 2.240 . 2.680 2.261 2.168 2.412 . 0 0 "[ . 1 . 2]" 1
38 1 17 THR HB 1 18 CYS H 2.905 . 4.010 3.982 3.753 4.071 0.061 3 0 "[ . 1 . 2]" 1
39 1 18 CYS HB2 1 19 VAL H 2.580 . 3.360 3.434 3.342 3.480 0.120 13 0 "[ . 1 . 2]" 1
40 1 18 CYS HB3 1 19 VAL H 2.535 . 3.270 2.391 2.277 2.499 . 0 0 "[ . 1 . 2]" 1
41 1 2 VAL HA 1 3 SER H 2.350 . 2.900 2.199 2.090 2.492 . 0 0 "[ . 1 . 2]" 1
42 1 2 VAL HB 1 3 SER H 3.260 . 4.720 4.018 2.259 4.476 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL HA 1 9 GLU H 2.100 . 2.400 2.239 2.023 2.340 . 0 0 "[ . 1 . 2]" 1
44 1 8 VAL HB 1 9 GLU H 2.705 . 3.610 3.608 2.685 3.795 0.185 7 0 "[ . 1 . 2]" 1
45 1 9 GLU H 1 9 GLU HB2 2.735 . 3.670 2.698 2.550 2.884 . 0 0 "[ . 1 . 2]" 1
46 1 9 GLU HB2 1 10 ASP H 3.155 . 4.510 4.424 4.209 4.526 0.016 17 0 "[ . 1 . 2]" 1
47 1 9 GLU HB3 1 10 ASP H 3.155 . 4.510 4.301 4.136 4.355 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLU HA 1 10 ASP H 2.380 . 2.960 2.112 2.005 2.211 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASP HA 1 11 GLU H 2.225 . 2.650 2.018 1.929 2.101 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASP HB3 1 11 GLU H 3.340 . 4.880 4.217 4.098 4.310 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASP HB2 1 11 GLU H 3.090 . 4.380 4.206 4.021 4.386 0.006 19 0 "[ . 1 . 2]" 1
52 1 11 GLU H 1 11 GLU HB2 2.750 . 3.700 2.663 2.312 3.594 . 0 0 "[ . 1 . 2]" 1
53 1 11 GLU HB2 1 12 THR H 2.955 . 4.110 3.682 2.796 4.150 0.040 18 0 "[ . 1 . 2]" 1
54 1 11 GLU HB3 1 12 THR H 2.955 . 4.110 3.673 2.810 4.186 0.076 3 0 "[ . 1 . 2]" 1
55 1 12 THR H 1 12 THR HB 2.675 . 3.550 2.587 2.484 2.787 . 0 0 "[ . 1 . 2]" 1
56 1 12 THR HB 1 13 SER H 2.610 . 3.420 2.428 2.183 2.633 . 0 0 "[ . 1 . 2]" 1
57 1 13 SER HA 1 15 ALA H 3.230 . 4.660 4.678 4.588 4.718 0.058 7 0 "[ . 1 . 2]" 1
58 1 16 LYS QB 1 17 THR H 3.345 . 4.890 3.528 2.848 3.853 . 0 0 "[ . 1 . 2]" 1
59 1 22 ASN H 1 22 ASN HB2 2.845 . 3.890 3.412 3.278 3.574 . 0 0 "[ . 1 . 2]" 1
60 1 22 ASN H 1 22 ASN HA 2.255 . 2.710 2.180 2.150 2.214 . 0 0 "[ . 1 . 2]" 1
61 1 24 ASP QB 1 25 ALA H 3.795 . 5.790 3.884 3.693 3.994 . 0 0 "[ . 1 . 2]" 1
62 1 23 CYS HA 1 24 ASP H 2.550 . 3.300 3.391 3.320 3.434 0.134 7 0 "[ . 1 . 2]" 1
63 1 23 CYS H 1 24 ASP H 2.705 . 3.610 2.608 2.352 2.843 . 0 0 "[ . 1 . 2]" 1
64 1 23 CYS H 1 23 CYS HB3 2.380 . 2.960 2.556 2.227 2.709 . 0 0 "[ . 1 . 2]" 1
65 1 23 CYS HB3 1 24 ASP H 3.170 . 4.540 3.937 3.728 4.173 . 0 0 "[ . 1 . 2]" 1
66 1 22 ASN HB2 1 23 CYS H 3.260 . 4.720 4.302 4.048 4.491 . 0 0 "[ . 1 . 2]" 1
67 1 22 ASN H 1 22 ASN HB3 2.845 . 3.890 3.996 3.974 4.047 0.157 16 0 "[ . 1 . 2]" 1
68 1 22 ASN HA 1 23 CYS H 2.625 . 3.450 2.853 2.540 3.138 . 0 0 "[ . 1 . 2]" 1
69 1 21 ASP HA 1 22 ASN H 2.210 . 2.620 2.091 2.001 2.152 . 0 0 "[ . 1 . 2]" 1
70 1 21 ASP HB2 1 22 ASN H 3.090 . 4.380 4.171 4.052 4.294 . 0 0 "[ . 1 . 2]" 1
71 1 21 ASP HB3 1 22 ASN H 2.970 . 4.140 4.162 3.948 4.206 0.066 4 0 "[ . 1 . 2]" 1
72 1 21 ASP H 1 21 ASP HB2 2.365 . 2.930 2.548 2.428 2.646 . 0 0 "[ . 1 . 2]" 1
73 1 20 PRO HB2 1 21 ASP H 2.625 . 3.450 2.644 2.494 2.850 . 0 0 "[ . 1 . 2]" 1
74 1 20 PRO HA 1 21 ASP H 2.565 . 3.330 2.315 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
75 1 19 VAL HA 1 21 ASP H 2.660 . 3.520 3.303 3.089 3.522 0.002 15 0 "[ . 1 . 2]" 1
76 1 20 PRO HB3 1 21 ASP H 2.625 . 3.450 3.462 3.374 3.517 0.067 1 0 "[ . 1 . 2]" 1
77 1 26 SER QB 1 27 ARG H 3.780 . 5.760 3.349 2.050 3.954 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL H 1 18 CYS HA 2.860 . 3.920 3.297 2.888 3.735 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS HA 1 17 THR H 3.480 . 5.160 4.589 4.263 4.890 . 0 0 "[ . 1 . 2]" 1
80 1 7 CYS HA 1 19 VAL H 2.860 . 3.920 3.460 3.111 3.722 . 0 0 "[ . 1 . 2]" 1
81 1 10 ASP H 1 16 LYS HA 2.750 . 3.700 2.595 2.113 2.923 . 0 0 "[ . 1 . 2]" 1
82 1 12 THR H 1 13 SER H 2.505 . 3.210 2.496 2.192 2.734 . 0 0 "[ . 1 . 2]" 1
83 1 4 PRO HB2 1 5 CYS H 2.970 . 4.140 3.653 2.332 4.003 . 0 0 "[ . 1 . 2]" 1
84 1 10 ASP HB3 1 13 SER H 2.535 . 3.270 3.153 2.926 3.295 0.025 17 0 "[ . 1 . 2]" 1
85 1 10 ASP HB2 1 13 SER H 3.110 . 4.420 4.378 4.141 4.459 0.039 19 0 "[ . 1 . 2]" 1
86 1 10 ASP HB2 1 12 THR H 3.650 . 5.500 4.542 4.293 4.725 . 0 0 "[ . 1 . 2]" 1
87 1 24 ASP HA 1 26 SER H 3.420 . 5.040 3.471 2.551 5.048 0.008 9 0 "[ . 1 . 2]" 1
88 1 9 GLU HA 1 17 THR H 3.230 . 4.660 3.310 3.015 3.734 . 0 0 "[ . 1 . 2]" 1
89 1 10 ASP HA 1 12 THR H 2.690 . 3.580 3.570 3.450 3.631 0.051 4 0 "[ . 1 . 2]" 1
90 1 25 ALA H 1 26 SER H 2.750 . 3.700 2.340 1.762 3.731 0.038 11 0 "[ . 1 . 2]" 1
91 1 10 ASP H 1 11 GLU H 3.030 . 4.260 4.286 4.151 4.336 0.076 8 0 "[ . 1 . 2]" 1
92 1 11 GLU H 1 12 THR H 2.485 . 3.170 2.566 2.420 2.677 . 0 0 "[ . 1 . 2]" 1
93 1 17 THR H 1 18 CYS H 3.370 . 4.940 4.359 4.241 4.492 . 0 0 "[ . 1 . 2]" 1
94 1 18 CYS H 1 19 VAL H 3.605 . 5.410 4.350 4.297 4.423 . 0 0 "[ . 1 . 2]" 1
95 1 6 PHE H 1 19 VAL H 2.765 . 3.730 2.790 2.509 3.238 . 0 0 "[ . 1 . 2]" 1
96 1 21 ASP H 1 22 ASN H 3.260 . 4.720 4.483 4.333 4.571 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLU H 1 13 SER H 3.510 . 5.220 4.431 4.203 4.664 . 0 0 "[ . 1 . 2]" 1
98 1 10 ASP H 1 14 GLY H 3.570 . 5.340 4.767 4.352 5.044 . 0 0 "[ . 1 . 2]" 1
99 1 5 CYS H 1 6 PHE H 3.370 . 4.940 4.347 4.165 4.505 . 0 0 "[ . 1 . 2]" 1
100 1 22 ASN H 1 23 CYS H 2.565 . 3.330 2.829 2.544 2.975 . 0 0 "[ . 1 . 2]" 1
101 1 10 ASP H 1 15 ALA H 2.830 . 3.860 3.505 2.964 3.800 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLY H 1 15 ALA H 2.410 . 3.020 2.320 2.155 2.487 . 0 0 "[ . 1 . 2]" 1
103 1 29 THR H 1 30 ASN H 3.480 . 5.160 3.310 1.876 4.493 . 0 0 "[ . 1 . 2]" 1
104 1 28 GLY H 1 29 THR H 3.650 . 5.500 3.485 2.217 4.540 . 0 0 "[ . 1 . 2]" 1
105 1 24 ASP H 1 25 ALA H 2.675 . 3.550 3.620 3.582 3.674 0.124 19 0 "[ . 1 . 2]" 1
106 1 22 ASN HB3 1 23 CYS H 3.260 . 4.720 4.370 4.291 4.440 . 0 0 "[ . 1 . 2]" 1
107 1 21 ASP HA 1 23 CYS H 2.970 . 4.140 3.739 3.427 4.076 . 0 0 "[ . 1 . 2]" 1
108 1 18 CYS H 1 21 ASP HA 2.985 . 4.170 3.293 2.261 4.087 . 0 0 "[ . 1 . 2]" 1
109 1 22 ASN HA 1 24 ASP H 3.015 . 4.230 3.190 2.482 3.625 . 0 0 "[ . 1 . 2]" 1
110 1 1 ASP HA 1 2 VAL H 2.410 . 3.020 2.304 2.099 2.831 . 0 0 "[ . 1 . 2]" 1
111 1 27 ARG H 1 28 GLY H 3.015 . 4.230 3.513 2.114 4.332 0.102 4 0 "[ . 1 . 2]" 1
112 1 11 GLU H 1 11 GLU QG 3.905 . 6.010 2.895 1.873 4.080 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLU H 1 9 GLU QG 4.090 . 6.380 4.010 3.972 4.073 . 0 0 "[ . 1 . 2]" 1
114 1 27 ARG H 1 27 ARG QG 4.090 . 6.380 3.362 2.076 4.265 . 0 0 "[ . 1 . 2]" 1
115 1 27 ARG HB2 1 27 ARG HE 3.650 . 5.500 3.305 1.916 4.472 . 0 0 "[ . 1 . 2]" 1
116 1 27 ARG HB3 1 27 ARG HE 3.650 . 5.500 3.447 1.835 4.419 . 0 0 "[ . 1 . 2]" 1
117 1 16 LYS H 1 16 LYS QD 4.090 . 6.380 4.488 3.423 4.804 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLU QG 1 10 ASP H 3.920 . 6.040 3.234 2.965 3.665 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU QG 1 12 THR H 4.090 . 6.380 3.894 2.404 4.493 . 0 0 "[ . 1 . 2]" 1
120 1 16 LYS QD 1 17 THR H 4.090 . 6.380 4.880 4.471 5.396 . 0 0 "[ . 1 . 2]" 1
121 1 16 LYS HG2 1 17 THR H 3.525 . 5.250 3.331 2.774 4.053 . 0 0 "[ . 1 . 2]" 1
122 1 16 LYS HG3 1 17 THR H 3.525 . 5.250 3.664 2.849 4.831 . 0 0 "[ . 1 . 2]" 1
123 1 27 ARG QG 1 28 GLY H 4.090 . 6.380 3.660 2.533 4.441 . 0 0 "[ . 1 . 2]" 1
124 1 18 CYS HB3 1 24 ASP H 3.420 . 5.040 4.253 3.485 5.052 0.012 7 0 "[ . 1 . 2]" 1
125 1 18 CYS HB3 1 23 CYS H 2.815 . 3.830 3.611 2.853 3.866 0.036 5 0 "[ . 1 . 2]" 1
126 1 20 PRO HG3 1 21 ASP H 3.650 . 5.500 5.090 4.980 5.222 . 0 0 "[ . 1 . 2]" 1
127 1 4 PRO HB3 1 6 PHE QE 4.715 . 7.630 6.915 3.564 7.657 0.027 4 0 "[ . 1 . 2]" 1
128 1 4 PRO HB3 1 6 PHE QD 4.715 . 7.630 5.511 3.596 6.502 . 0 0 "[ . 1 . 2]" 1
129 1 4 PRO HB2 1 6 PHE QD 4.715 . 7.630 4.482 2.150 5.796 . 0 0 "[ . 1 . 2]" 1
130 1 4 PRO HB2 1 6 PHE QE 4.715 . 7.630 5.956 2.202 7.646 0.016 8 0 "[ . 1 . 2]" 1
131 1 6 PHE QE 1 8 VAL HB 4.715 . 7.630 5.504 2.893 7.738 0.108 18 0 "[ . 1 . 2]" 1
132 1 6 PHE QD 1 8 VAL HB 4.715 . 7.630 5.135 3.338 6.027 . 0 0 "[ . 1 . 2]" 1
133 1 4 PRO QG 1 6 PHE QD 5.160 . 8.520 5.734 3.611 7.067 . 0 0 "[ . 1 . 2]" 1
134 1 4 PRO QG 1 6 PHE QE 5.160 . 8.520 6.618 2.964 8.521 0.001 13 0 "[ . 1 . 2]" 1
135 1 8 VAL H 1 16 LYS HG2 3.650 . 5.500 3.736 3.254 4.173 . 0 0 "[ . 1 . 2]" 1
136 1 8 VAL H 1 16 LYS HG3 3.650 . 5.500 4.016 2.929 5.596 0.096 4 0 "[ . 1 . 2]" 1
137 1 8 VAL HB 1 17 THR H 3.650 . 5.500 4.282 3.669 5.559 0.059 7 0 "[ . 1 . 2]" 1
138 1 9 GLU QG 1 17 THR H 4.090 . 6.380 5.183 4.830 6.215 . 0 0 "[ . 1 . 2]" 1
139 1 7 CYS HB3 1 17 THR H 3.650 . 5.500 4.309 4.034 4.775 . 0 0 "[ . 1 . 2]" 1
140 1 6 PHE H 1 19 VAL HB 3.650 . 5.500 3.823 2.921 5.384 . 0 0 "[ . 1 . 2]" 1
141 1 18 CYS HB2 1 24 ASP H 3.650 . 5.500 3.942 2.909 5.013 . 0 0 "[ . 1 . 2]" 1
142 1 6 PHE H 1 18 CYS HB3 3.650 . 5.500 3.847 3.533 4.369 . 0 0 "[ . 1 . 2]" 1
143 1 6 PHE H 1 20 PRO QD 4.095 . 6.390 3.860 3.305 4.248 . 0 0 "[ . 1 . 2]" 1
144 1 6 PHE H 1 6 PHE QD 4.715 . 7.630 3.849 2.722 4.387 . 0 0 "[ . 1 . 2]" 1
145 1 6 PHE H 1 6 PHE QE 4.715 . 7.630 5.688 4.265 6.372 . 0 0 "[ . 1 . 2]" 1
146 1 6 PHE QD 1 7 CYS HA 4.715 . 7.630 4.367 3.770 5.521 . 0 0 "[ . 1 . 2]" 1
147 1 5 CYS HB3 1 6 PHE QE 4.715 . 7.630 7.635 7.086 7.752 0.122 5 0 "[ . 1 . 2]" 1
148 1 5 CYS HB3 1 6 PHE QD 4.715 . 7.630 5.869 5.722 6.209 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU QG 1 15 ALA H 4.090 . 6.380 4.126 3.505 5.409 . 0 0 "[ . 1 . 2]" 1
150 1 10 ASP HB2 1 15 ALA H 3.650 . 5.500 4.901 4.095 5.232 . 0 0 "[ . 1 . 2]" 1
151 1 20 PRO HG3 1 23 CYS H 3.650 . 5.500 5.539 5.492 5.578 0.078 11 0 "[ . 1 . 2]" 1
152 1 10 ASP HB3 1 15 ALA H 2.675 . 3.550 3.280 2.464 3.604 0.054 11 0 "[ . 1 . 2]" 1
153 1 18 CYS HB2 1 23 CYS H 3.310 . 4.820 2.833 2.415 3.203 . 0 0 "[ . 1 . 2]" 1
154 1 20 PRO QD 1 23 CYS H 4.095 . 6.390 4.512 4.237 5.104 . 0 0 "[ . 1 . 2]" 1
155 1 10 ASP H 1 16 LYS HG2 3.650 . 5.500 5.174 4.158 5.570 0.070 7 0 "[ . 1 . 2]" 1
156 1 10 ASP H 1 16 LYS HG3 3.650 . 5.500 4.669 3.984 5.130 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLU QG 1 14 GLY H 4.090 . 6.380 5.117 4.421 6.198 . 0 0 "[ . 1 . 2]" 1
158 1 8 VAL H 1 8 VAL QG 4.065 . 6.330 2.621 2.034 2.963 . 0 0 "[ . 1 . 2]" 1
159 1 29 THR H 1 29 THR MG 4.160 . 6.520 3.254 2.019 3.793 . 0 0 "[ . 1 . 2]" 1
160 1 15 ALA H 1 15 ALA MB 2.890 . 3.980 2.718 2.556 2.856 . 0 0 "[ . 1 . 2]" 1
161 1 17 THR H 1 17 THR MG 3.710 . 5.620 2.812 1.933 3.880 . 0 0 "[ . 1 . 2]" 1
162 1 25 ALA MB 1 26 SER H 3.755 . 5.710 3.253 2.310 3.629 . 0 0 "[ . 1 . 2]" 1
163 1 12 THR H 1 12 THR MG 3.615 . 5.430 3.724 3.629 3.793 . 0 0 "[ . 1 . 2]" 1
164 1 17 THR MG 1 18 CYS H 3.475 . 5.150 3.166 2.222 3.913 . 0 0 "[ . 1 . 2]" 1
165 1 18 CYS H 1 19 VAL QG 4.700 . 7.600 4.553 4.236 5.146 . 0 0 "[ . 1 . 2]" 1
166 1 2 VAL QG 1 3 SER H 4.700 . 7.600 3.099 2.305 3.775 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL QG 1 9 GLU H 4.280 . 6.760 2.366 2.036 3.411 . 0 0 "[ . 1 . 2]" 1
168 1 12 THR MG 1 13 SER H 4.160 . 6.520 3.585 3.421 3.704 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 16 LYS H 3.340 . 4.880 2.587 2.094 3.340 . 0 0 "[ . 1 . 2]" 1
170 1 19 VAL QG 1 21 ASP H 4.700 . 7.600 4.101 3.667 4.424 . 0 0 "[ . 1 . 2]" 1
171 1 29 THR MG 1 30 ASN H 4.160 . 6.520 3.500 2.566 4.183 . 0 0 "[ . 1 . 2]" 1
172 1 6 PHE QE 1 8 VAL QG 5.765 . 9.730 2.860 2.143 5.180 . 0 0 "[ . 1 . 2]" 1
173 1 6 PHE QD 1 8 VAL QG 5.765 . 9.730 2.685 2.113 4.487 . 0 0 "[ . 1 . 2]" 1
174 1 6 PHE QE 1 19 VAL QG 5.765 . 9.730 4.793 2.547 6.552 . 0 0 "[ . 1 . 2]" 1
175 1 6 PHE QD 1 19 VAL QG 5.765 . 9.730 3.838 3.194 4.951 . 0 0 "[ . 1 . 2]" 1
176 1 6 PHE QD 1 17 THR MG 5.225 . 8.650 6.476 5.427 7.474 . 0 0 "[ . 1 . 2]" 1
177 1 6 PHE QE 1 17 THR MG 5.225 . 8.650 7.192 5.657 8.723 0.073 6 0 "[ . 1 . 2]" 1
178 1 11 GLU H 1 12 THR MG 4.160 . 6.520 5.763 5.625 5.955 . 0 0 "[ . 1 . 2]" 1
179 1 8 VAL QG 1 19 VAL H 4.700 . 7.600 4.903 4.077 5.713 . 0 0 "[ . 1 . 2]" 1
180 1 17 THR MG 1 19 VAL H 4.160 . 6.520 5.134 4.655 5.470 . 0 0 "[ . 1 . 2]" 1
181 1 8 VAL QG 1 17 THR H 4.700 . 7.600 4.105 3.019 4.693 . 0 0 "[ . 1 . 2]" 1
182 1 6 PHE H 1 19 VAL QG 4.700 . 7.600 3.635 2.409 4.306 . 0 0 "[ . 1 . 2]" 1
183 1 7 CYS H 1 8 VAL QG 4.700 . 7.600 4.069 3.262 5.008 . 0 0 "[ . 1 . 2]" 1
184 1 8 VAL H 1 17 THR MG 4.160 . 6.520 3.934 3.036 5.055 . 0 0 "[ . 1 . 2]" 1
185 1 16 LYS H 1 17 THR MG 4.160 . 6.520 5.903 5.296 6.537 0.017 9 0 "[ . 1 . 2]" 1
186 1 10 ASP H 1 17 THR MG 4.160 . 6.520 4.190 2.841 6.023 . 0 0 "[ . 1 . 2]" 1
187 1 24 ASP H 1 25 ALA MB 4.160 . 6.520 4.248 3.964 4.668 . 0 0 "[ . 1 . 2]" 1
188 1 22 ASN HD21 1 25 ALA MB 4.160 . 6.520 4.689 1.939 5.860 . 0 0 "[ . 1 . 2]" 1
189 1 22 ASN HD22 1 25 ALA MB 4.160 . 6.520 5.339 3.423 6.530 0.010 13 0 "[ . 1 . 2]" 1
190 1 14 GLY H 1 15 ALA MB 4.160 . 6.520 4.307 4.062 4.545 . 0 0 "[ . 1 . 2]" 1
191 1 10 ASP HA 1 10 ASP HB2 2.395 . 2.990 2.453 2.380 2.516 . 0 0 "[ . 1 . 2]" 1
192 1 13 SER HA 1 13 SER HB2 2.365 . 2.930 2.850 2.484 3.002 0.072 1 0 "[ . 1 . 2]" 1
193 1 19 VAL HA 1 20 PRO HA 2.100 . 2.400 2.054 1.954 2.282 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL HA 1 20 PRO QB 3.520 . 5.240 3.854 3.807 3.959 . 0 0 "[ . 1 . 2]" 1
195 1 18 CYS HA 1 19 VAL HB 3.480 . 5.160 4.524 4.340 4.724 . 0 0 "[ . 1 . 2]" 1
196 1 7 CYS HA 1 7 CYS HB3 2.270 . 2.740 2.421 2.368 2.465 . 0 0 "[ . 1 . 2]" 1
197 1 7 CYS HA 1 8 VAL HB 3.525 . 5.250 4.691 4.360 5.350 0.100 2 0 "[ . 1 . 2]" 1
198 1 7 CYS HA 1 7 CYS HB2 2.410 . 3.020 3.003 2.981 3.019 . 0 0 "[ . 1 . 2]" 1
199 1 6 PHE QB 1 7 CYS HA 3.360 . 4.920 4.348 3.672 4.510 . 0 0 "[ . 1 . 2]" 1
200 1 18 CYS HA 1 18 CYS HB3 2.335 . 2.870 2.393 2.353 2.428 . 0 0 "[ . 1 . 2]" 1
201 1 7 CYS HA 1 8 VAL HA 3.510 . 5.220 4.403 4.286 4.477 . 0 0 "[ . 1 . 2]" 1
202 1 7 CYS HA 1 18 CYS HA 2.115 . 2.430 1.970 1.817 2.119 . 0 0 "[ . 1 . 2]" 1
203 1 23 CYS HA 1 23 CYS HB2 2.350 . 2.900 2.485 2.408 2.537 . 0 0 "[ . 1 . 2]" 1
204 1 23 CYS HA 1 23 CYS HB3 2.335 . 2.870 2.435 2.358 2.513 . 0 0 "[ . 1 . 2]" 1
205 1 5 CYS HA 1 5 CYS HB2 2.395 . 2.990 2.486 2.397 2.591 . 0 0 "[ . 1 . 2]" 1
206 1 4 PRO HA 1 5 CYS HB2 3.215 . 4.630 4.459 4.322 4.580 . 0 0 "[ . 1 . 2]" 1
207 1 4 PRO HA 1 5 CYS HB3 3.340 . 4.880 4.670 4.484 4.911 0.031 17 0 "[ . 1 . 2]" 1
208 1 22 ASN HA 1 22 ASN HB2 2.410 . 3.020 2.999 2.967 3.018 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASN HA 1 22 ASN HB3 2.410 . 3.020 2.515 2.437 2.582 . 0 0 "[ . 1 . 2]" 1
210 1 13 SER HA 1 13 SER HB3 2.365 . 2.930 2.578 2.352 3.009 0.079 19 0 "[ . 1 . 2]" 1
211 1 18 CYS HB2 1 21 ASP HA 3.030 . 4.260 3.191 2.046 4.107 . 0 0 "[ . 1 . 2]" 1
212 1 9 GLU HA 1 16 LYS HA 2.505 . 3.210 1.862 1.751 2.115 0.049 7 0 "[ . 1 . 2]" 1
213 1 3 SER HA 1 4 PRO HD2 2.595 . 3.390 2.633 2.312 3.135 . 0 0 "[ . 1 . 2]" 1
214 1 3 SER HA 1 4 PRO HD3 2.595 . 3.390 2.093 1.982 2.362 . 0 0 "[ . 1 . 2]" 1
215 1 3 SER HA 1 4 PRO QG 3.845 . 5.890 3.894 3.827 4.156 . 0 0 "[ . 1 . 2]" 1
216 1 16 LYS HA 1 16 LYS QD 4.090 . 6.380 4.091 3.960 4.263 . 0 0 "[ . 1 . 2]" 1
217 1 16 LYS HA 1 16 LYS QE 4.090 . 6.380 4.504 3.931 5.039 . 0 0 "[ . 1 . 2]" 1
218 1 27 ARG HA 1 27 ARG QD 4.090 . 6.380 3.871 2.132 4.484 . 0 0 "[ . 1 . 2]" 1
219 1 26 SER HA 1 27 ARG QG 3.935 . 6.070 5.029 3.504 6.146 0.076 16 0 "[ . 1 . 2]" 1
220 1 7 CYS HB3 1 18 CYS HA 3.215 . 4.630 3.652 3.330 3.970 . 0 0 "[ . 1 . 2]" 1
221 1 7 CYS HA 1 18 CYS HB3 3.230 . 4.660 3.410 3.064 3.818 . 0 0 "[ . 1 . 2]" 1
222 1 5 CYS HA 1 23 CYS HB2 3.450 . 5.100 3.854 2.321 5.194 0.094 1 0 "[ . 1 . 2]" 1
223 1 5 CYS HA 1 23 CYS HB3 3.650 . 5.500 3.857 2.762 5.020 . 0 0 "[ . 1 . 2]" 1
224 1 7 CYS HB2 1 18 CYS HA 3.650 . 5.500 4.613 4.455 4.796 . 0 0 "[ . 1 . 2]" 1
225 1 5 CYS HA 1 20 PRO QD 3.425 . 5.050 2.525 2.151 2.826 . 0 0 "[ . 1 . 2]" 1
226 1 20 PRO QD 1 23 CYS HB3 3.335 . 4.870 2.400 1.983 3.364 . 0 0 "[ . 1 . 2]" 1
227 1 20 PRO QD 1 23 CYS HB2 4.095 . 6.390 3.155 2.648 3.838 . 0 0 "[ . 1 . 2]" 1
228 1 5 CYS HB3 1 20 PRO QD 4.095 . 6.390 4.517 3.763 5.121 . 0 0 "[ . 1 . 2]" 1
229 1 9 GLU QG 1 16 LYS HA 4.090 . 6.380 3.502 3.088 4.702 . 0 0 "[ . 1 . 2]" 1
230 1 9 GLU HA 1 16 LYS QB 4.090 . 6.380 3.218 2.652 3.732 . 0 0 "[ . 1 . 2]" 1
231 1 6 PHE QB 1 19 VAL HB 3.780 . 5.760 3.952 2.138 5.155 . 0 0 "[ . 1 . 2]" 1
232 1 18 CYS HB3 1 19 VAL HB 3.620 . 5.440 5.181 4.978 5.459 0.019 10 0 "[ . 1 . 2]" 1
233 1 20 PRO HG2 1 23 CYS HB2 3.650 . 5.500 3.308 2.817 3.645 . 0 0 "[ . 1 . 2]" 1
234 1 20 PRO HG3 1 23 CYS HB2 3.510 . 5.220 4.513 4.107 4.805 . 0 0 "[ . 1 . 2]" 1
235 1 7 CYS HB3 1 16 LYS QB 4.090 . 6.380 3.892 2.014 4.727 . 0 0 "[ . 1 . 2]" 1
236 1 7 CYS HB3 1 16 LYS QD 4.090 . 6.380 2.930 2.187 4.729 . 0 0 "[ . 1 . 2]" 1
237 1 20 PRO HG3 1 23 CYS HB3 2.920 . 4.040 3.576 3.447 3.872 . 0 0 "[ . 1 . 2]" 1
238 1 20 PRO HG2 1 23 CYS HB3 3.125 . 4.450 2.021 1.860 2.430 . 0 0 "[ . 1 . 2]" 1
239 1 9 GLU QG 1 16 LYS QE 4.530 . 7.260 5.188 3.128 7.218 . 0 0 "[ . 1 . 2]" 1
240 1 9 GLU HB2 1 16 LYS HA 3.650 . 5.500 3.955 3.606 4.435 . 0 0 "[ . 1 . 2]" 1
241 1 9 GLU HB3 1 16 LYS HA 3.650 . 5.500 4.825 4.636 5.110 . 0 0 "[ . 1 . 2]" 1
242 1 17 THR MG 1 18 CYS HA 4.160 . 6.520 3.854 3.662 4.018 . 0 0 "[ . 1 . 2]" 1
243 1 7 CYS HA 1 17 THR MG 4.160 . 6.520 4.664 3.976 5.435 . 0 0 "[ . 1 . 2]" 1
244 1 7 CYS HA 1 19 VAL QG 4.700 . 7.600 4.224 3.850 4.670 . 0 0 "[ . 1 . 2]" 1
245 1 7 CYS HA 1 8 VAL QG 4.700 . 7.600 3.287 2.897 3.590 . 0 0 "[ . 1 . 2]" 1
246 1 8 VAL QG 1 18 CYS HA 4.700 . 7.600 4.104 3.609 4.951 . 0 0 "[ . 1 . 2]" 1
247 1 18 CYS HA 1 19 VAL QG 4.700 . 7.600 3.354 3.161 3.626 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL QG 1 20 PRO HA 3.785 . 5.770 2.650 2.329 3.032 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL QG 1 20 PRO QD 5.145 . 8.490 3.308 3.216 3.405 . 0 0 "[ . 1 . 2]" 1
250 1 6 PHE QB 1 19 VAL QG 5.015 . 8.230 3.539 2.124 4.891 . 0 0 "[ . 1 . 2]" 1
251 1 8 VAL QG 1 17 THR HB 4.375 . 6.950 5.013 2.807 6.151 . 0 0 "[ . 1 . 2]" 1
252 1 3 SER H 1 3 SER QB 2.600 . 3.400 2.518 2.208 2.820 . 0 0 "[ . 1 . 2]" 1
253 1 3 SER HA 1 4 PRO QD 2.310 . 2.820 2.008 1.932 2.297 . 0 0 "[ . 1 . 2]" 1
254 1 10 ASP H 1 13 SER QB 3.455 . 5.110 4.407 3.731 4.865 . 0 0 "[ . 1 . 2]" 1
255 1 11 GLU H 1 11 GLU QB 2.450 . 3.100 2.354 2.153 2.552 . 0 0 "[ . 1 . 2]" 1
256 1 13 SER H 1 13 SER QB 2.295 . 2.790 2.394 2.176 2.529 . 0 0 "[ . 1 . 2]" 1
257 1 13 SER HA 1 13 SER QB 2.150 . 2.500 2.331 2.269 2.431 . 0 0 "[ . 1 . 2]" 1
258 1 13 SER QB 1 15 ALA H 2.825 . 3.850 2.646 2.497 3.073 . 0 0 "[ . 1 . 2]" 1
259 1 16 LYS H 1 16 LYS QG 3.570 . 5.340 3.571 2.544 3.970 . 0 0 "[ . 1 . 2]" 1
260 1 16 LYS HA 1 16 LYS QG 2.730 . 3.660 2.427 2.292 2.534 . 0 0 "[ . 1 . 2]" 1
261 1 16 LYS QG 1 17 THR H 3.110 . 4.420 3.073 2.503 3.856 . 0 0 "[ . 1 . 2]" 1
262 1 20 PRO QB 1 23 CYS H 3.165 . 4.530 4.475 4.269 4.569 0.039 4 0 "[ . 1 . 2]" 1
263 1 20 PRO QB 1 23 CYS HB3 3.105 . 4.410 3.747 3.423 4.123 . 0 0 "[ . 1 . 2]" 1
264 1 22 ASN H 1 22 ASN QB 2.570 . 3.340 3.230 3.133 3.344 0.004 14 0 "[ . 1 . 2]" 1
265 1 22 ASN QB 1 23 CYS H 2.865 . 3.930 3.859 3.727 3.923 . 0 0 "[ . 1 . 2]" 1
266 1 27 ARG H 1 27 ARG QB 2.575 . 3.350 2.652 2.179 3.365 0.015 18 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 16
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 15.098
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0236
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 PHE 0.146 0.053 1 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.371 0.062 12 0 "[ . 1 . 2]"
1 12 THR 0.080 0.023 16 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.291 0.062 12 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.146 0.053 1 0 "[ . 1 . 2]"
1 20 PRO 0.238 0.064 3 0 "[ . 1 . 2]"
1 23 CYS 0.238 0.064 3 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 6 PHE H 1 19 VAL O 2.300 . 2.300 2.134 1.826 2.353 0.053 1 0 "[ . 1 . 2]" 2
2 1 6 PHE N 1 19 VAL O 3.300 . 3.300 3.067 2.795 3.301 0.001 9 0 "[ . 1 . 2]" 2
3 1 8 VAL H 1 17 THR O 2.300 . 2.300 1.905 1.800 2.142 . 0 0 "[ . 1 . 2]" 2
4 1 8 VAL N 1 17 THR O 3.300 . 3.300 2.868 2.771 3.064 . 0 0 "[ . 1 . 2]" 2
5 1 10 ASP OD1 1 12 THR H 2.300 . 2.300 2.232 2.071 2.323 0.023 16 0 "[ . 1 . 2]" 2
6 1 10 ASP OD1 1 12 THR N 3.300 . 3.300 2.912 2.803 3.005 . 0 0 "[ . 1 . 2]" 2
7 1 10 ASP O 1 14 GLY H 2.300 . 2.300 1.957 1.781 2.157 . 0 0 "[ . 1 . 2]" 2
8 1 10 ASP O 1 14 GLY N 3.300 . 3.300 2.743 2.648 2.893 . 0 0 "[ . 1 . 2]" 2
9 1 10 ASP O 1 15 ALA H 2.300 . 2.300 2.284 2.151 2.362 0.062 12 0 "[ . 1 . 2]" 2
10 1 10 ASP O 1 15 ALA N 3.300 . 3.300 3.101 2.952 3.241 . 0 0 "[ . 1 . 2]" 2
11 1 8 VAL O 1 17 THR H 2.300 . 2.300 1.882 1.756 2.053 . 0 0 "[ . 1 . 2]" 2
12 1 8 VAL O 1 17 THR N 3.300 . 3.300 2.813 2.734 2.884 . 0 0 "[ . 1 . 2]" 2
13 1 6 PHE O 1 19 VAL H 2.300 . 2.300 1.897 1.702 2.158 . 0 0 "[ . 1 . 2]" 2
14 1 6 PHE O 1 19 VAL N 3.300 . 3.300 2.811 2.655 3.004 . 0 0 "[ . 1 . 2]" 2
15 1 20 PRO O 1 23 CYS H 2.300 . 2.300 2.213 1.974 2.364 0.064 3 0 "[ . 1 . 2]" 2
16 1 20 PRO O 1 23 CYS N 3.300 . 3.300 3.046 2.881 3.222 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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