NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388122 |
1mvj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mvj
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 263
_Distance_constraint_stats_list.Viol_count 364
_Distance_constraint_stats_list.Viol_total 243.341
_Distance_constraint_stats_list.Viol_max 0.209
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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 CYS 0.026 0.014 7 0 "[ . 1 .]"
1 2 LYS 1.393 0.157 14 0 "[ . 1 .]"
1 3 LEU 0.177 0.036 12 0 "[ . 1 .]"
1 4 LYS 0.410 0.050 13 0 "[ . 1 .]"
1 5 GLY 1.737 0.168 10 0 "[ . 1 .]"
1 6 GLN 0.468 0.073 12 0 "[ . 1 .]"
1 7 SER 0.971 0.074 12 0 "[ . 1 .]"
1 8 CYS 1.442 0.089 3 0 "[ . 1 .]"
1 9 ARG 0.369 0.089 3 0 "[ . 1 .]"
1 10 LYS 0.253 0.026 1 0 "[ . 1 .]"
1 11 THR 0.017 0.017 12 0 "[ . 1 .]"
1 12 SER 0.111 0.061 3 0 "[ . 1 .]"
1 13 TYR 0.421 0.062 9 0 "[ . 1 .]"
1 14 ASP 0.427 0.063 6 0 "[ . 1 .]"
1 15 CYS 1.135 0.074 6 0 "[ . 1 .]"
1 16 CYS 5.828 0.191 15 0 "[ . 1 .]"
1 17 SER 2.647 0.131 5 0 "[ . 1 .]"
1 18 GLY 0.040 0.018 14 0 "[ . 1 .]"
1 19 SER 1.024 0.170 1 0 "[ . 1 .]"
1 20 CYS 1.055 0.170 1 0 "[ . 1 .]"
1 21 GLY 0.148 0.026 1 0 "[ . 1 .]"
1 22 ARG 0.729 0.080 13 0 "[ . 1 .]"
1 23 SER 1.134 0.080 13 0 "[ . 1 .]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 25 LYS 2.991 0.209 9 0 "[ . 1 .]"
1 26 CYS 2.401 0.209 9 0 "[ . 1 .]"
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 1 CYS HA 1 16 CYS HA 0.000 . 5.000 4.772 4.606 5.002 0.002 7 0 "[ . 1 .]" 1
2 1 1 CYS QB 1 15 CYS HB2 0.000 . 6.000 5.048 4.947 5.204 . 0 0 "[ . 1 .]" 1
3 1 1 CYS QB 1 16 CYS HB2 0.000 . 6.000 3.653 3.537 3.707 . 0 0 "[ . 1 .]" 1
4 1 2 LYS H 1 15 CYS HA 0.000 . 2.700 1.970 1.888 2.374 . 0 0 "[ . 1 .]" 1
5 1 1 CYS HA 1 2 LYS H 0.000 . 2.700 2.578 2.512 2.684 . 0 0 "[ . 1 .]" 1
6 1 2 LYS H 1 16 CYS HA 0.000 . 5.000 4.209 3.855 4.684 . 0 0 "[ . 1 .]" 1
7 1 1 CYS HB3 1 2 LYS H 0.000 . 3.500 3.459 3.310 3.514 0.014 7 0 "[ . 1 .]" 1
8 1 1 CYS HB2 1 2 LYS H 0.000 . 3.500 2.151 1.923 2.394 . 0 0 "[ . 1 .]" 1
9 1 2 LYS H 1 15 CYS QB 0.000 . 6.000 3.902 3.834 4.248 . 0 0 "[ . 1 .]" 1
10 1 2 LYS H 1 2 LYS HG3 0.000 . 3.500 3.523 3.501 3.624 0.124 7 0 "[ . 1 .]" 1
11 1 2 LYS H 1 2 LYS HD3 0.000 . 6.000 3.743 1.810 5.178 . 0 0 "[ . 1 .]" 1
12 1 2 LYS H 1 2 LYS HD2 0.000 . 6.000 4.543 2.510 5.136 . 0 0 "[ . 1 .]" 1
13 1 2 LYS H 1 2 LYS HG2 0.000 . 3.500 2.316 1.957 3.617 0.117 7 0 "[ . 1 .]" 1
14 1 2 LYS H 1 15 CYS H 0.000 . 5.000 4.325 4.232 4.529 . 0 0 "[ . 1 .]" 1
15 1 2 LYS H 1 3 LEU H 0.000 . 5.000 4.541 4.392 4.610 . 0 0 "[ . 1 .]" 1
16 1 2 LYS HA 1 2 LYS HD3 0.000 . 3.500 2.669 2.223 3.561 0.061 7 0 "[ . 1 .]" 1
17 1 2 LYS HA 1 2 LYS HD2 0.000 . 3.500 3.284 2.813 3.657 0.157 14 0 "[ . 1 .]" 1
18 1 2 LYS HA 1 6 GLN QB 0.000 . 7.000 3.622 3.250 4.003 . 0 0 "[ . 1 .]" 1
19 1 2 LYS HA 1 6 GLN QG 0.000 . 7.000 3.722 2.564 4.536 . 0 0 "[ . 1 .]" 1
20 1 2 LYS QG 1 14 ASP QB 0.000 . 7.000 2.398 2.091 3.537 . 0 0 "[ . 1 .]" 1
21 1 2 LYS QD 1 14 ASP QB 0.000 . 7.000 3.929 2.399 5.412 . 0 0 "[ . 1 .]" 1
22 1 2 LYS QD 1 15 CYS HB3 0.000 . 7.000 5.767 4.791 6.256 . 0 0 "[ . 1 .]" 1
23 1 2 LYS HA 1 3 LEU H 0.000 . 2.700 2.322 2.126 2.664 . 0 0 "[ . 1 .]" 1
24 1 3 LEU H 1 6 GLN QB 0.000 . 4.500 2.501 1.982 3.129 . 0 0 "[ . 1 .]" 1
25 1 3 LEU H 1 6 GLN QG 0.000 . 6.000 3.142 2.112 3.995 . 0 0 "[ . 1 .]" 1
26 1 2 LYS QB 1 3 LEU H 0.000 . 6.000 2.711 2.101 3.369 . 0 0 "[ . 1 .]" 1
27 1 3 LEU H 1 3 LEU HB2 0.000 . 3.500 2.446 2.056 2.870 . 0 0 "[ . 1 .]" 1
28 1 3 LEU H 1 3 LEU HB3 0.000 . 3.500 2.573 2.439 2.791 . 0 0 "[ . 1 .]" 1
29 1 3 LEU H 1 3 LEU MD1 0.000 . 5.000 4.072 3.731 4.214 . 0 0 "[ . 1 .]" 1
30 1 3 LEU H 1 3 LEU MD2 0.000 . 5.000 4.074 3.567 4.195 . 0 0 "[ . 1 .]" 1
31 1 3 LEU H 1 6 GLN H 0.000 . 5.000 4.613 3.988 5.009 0.009 8 0 "[ . 1 .]" 1
32 1 3 LEU H 1 4 LYS H 0.000 . 5.000 4.563 4.402 4.667 . 0 0 "[ . 1 .]" 1
33 1 3 LEU H 1 6 GLN HE21 0.000 . 6.000 3.068 2.063 4.207 . 0 0 "[ . 1 .]" 1
34 1 3 LEU H 1 6 GLN HE22 0.000 . 6.000 3.457 2.079 5.150 . 0 0 "[ . 1 .]" 1
35 1 3 LEU HA 1 16 CYS HB2 0.000 . 6.000 3.485 3.073 3.741 . 0 0 "[ . 1 .]" 1
36 1 3 LEU HA 1 16 CYS HB3 0.000 . 5.000 4.841 4.344 5.036 0.036 12 0 "[ . 1 .]" 1
37 1 3 LEU QD 1 6 GLN QB 0.000 . 9.000 3.644 2.882 4.502 . 0 0 "[ . 1 .]" 1
38 1 3 LEU QD 1 16 CYS HB3 0.000 . 8.000 4.883 4.018 5.856 . 0 0 "[ . 1 .]" 1
39 1 3 LEU HA 1 4 LYS H 0.000 . 2.700 2.434 2.300 2.662 . 0 0 "[ . 1 .]" 1
40 1 4 LYS H 1 26 CYS HB3 0.000 . 6.000 4.989 4.469 5.401 . 0 0 "[ . 1 .]" 1
41 1 4 LYS H 1 26 CYS HB2 0.000 . 6.000 4.996 4.700 5.218 . 0 0 "[ . 1 .]" 1
42 1 4 LYS H 1 6 GLN QB 0.000 . 7.000 4.633 4.052 5.226 . 0 0 "[ . 1 .]" 1
43 1 4 LYS H 1 4 LYS HB2 0.000 . 2.700 2.355 2.233 2.522 . 0 0 "[ . 1 .]" 1
44 1 4 LYS H 1 4 LYS HB3 0.000 . 2.700 2.701 2.593 2.745 0.045 1 0 "[ . 1 .]" 1
45 1 3 LEU MD1 1 4 LYS H 0.000 . 6.500 2.441 1.761 3.729 . 0 0 "[ . 1 .]" 1
46 1 3 LEU MD2 1 4 LYS H 0.000 . 6.500 2.282 1.794 3.578 . 0 0 "[ . 1 .]" 1
47 1 4 LYS HA 1 26 CYS HB3 0.000 . 3.500 2.608 2.353 2.945 . 0 0 "[ . 1 .]" 1
48 1 4 LYS HA 1 26 CYS HB2 0.000 . 3.500 2.784 2.506 3.029 . 0 0 "[ . 1 .]" 1
49 1 4 LYS HA 1 5 GLY H 0.000 . 2.700 2.084 2.010 2.176 . 0 0 "[ . 1 .]" 1
50 1 5 GLY H 1 26 CYS HB3 0.000 . 5.000 2.767 2.486 3.201 . 0 0 "[ . 1 .]" 1
51 1 5 GLY H 1 26 CYS HB2 0.000 . 3.500 1.902 1.779 2.213 . 0 0 "[ . 1 .]" 1
52 1 5 GLY H 1 26 CYS HA 0.000 . 6.000 4.148 4.051 4.306 . 0 0 "[ . 1 .]" 1
53 1 5 GLY H 1 6 GLN QB 0.000 . 7.000 4.184 3.742 4.474 . 0 0 "[ . 1 .]" 1
54 1 4 LYS HB2 1 5 GLY H 0.000 . 5.000 4.346 4.141 4.508 . 0 0 "[ . 1 .]" 1
55 1 4 LYS HB3 1 5 GLY H 0.000 . 5.000 4.117 3.891 4.304 . 0 0 "[ . 1 .]" 1
56 1 4 LYS QD 1 5 GLY H 0.000 . 6.000 3.066 2.374 3.593 . 0 0 "[ . 1 .]" 1
57 1 4 LYS QG 1 5 GLY H 0.000 . 6.000 2.929 2.429 3.406 . 0 0 "[ . 1 .]" 1
58 1 5 GLY H 1 26 CYS H 0.000 . 3.500 3.163 2.731 3.487 . 0 0 "[ . 1 .]" 1
59 1 4 LYS H 1 5 GLY H 0.000 . 5.000 4.475 4.331 4.571 . 0 0 "[ . 1 .]" 1
60 1 5 GLY H 1 6 GLN H 0.000 . 2.700 2.331 1.835 2.622 . 0 0 "[ . 1 .]" 1
61 1 5 GLY HA3 1 25 LYS HB3 0.000 . 6.000 5.768 4.203 6.093 0.093 6 0 "[ . 1 .]" 1
62 1 5 GLY HA2 1 25 LYS HB3 0.000 . 6.000 4.348 2.884 4.732 . 0 0 "[ . 1 .]" 1
63 1 5 GLY HA3 1 25 LYS HB2 0.000 . 5.000 5.083 5.022 5.168 0.168 10 0 "[ . 1 .]" 1
64 1 5 GLY HA2 1 25 LYS HB2 0.000 . 5.000 3.891 3.502 4.142 . 0 0 "[ . 1 .]" 1
65 1 5 GLY HA3 1 6 GLN H 0.000 . 5.000 3.424 3.342 3.506 . 0 0 "[ . 1 .]" 1
66 1 5 GLY HA2 1 6 GLN H 0.000 . 5.000 3.052 2.750 3.220 . 0 0 "[ . 1 .]" 1
67 1 4 LYS HA 1 6 GLN H 0.000 . 5.000 3.454 3.341 3.639 . 0 0 "[ . 1 .]" 1
68 1 6 GLN H 1 26 CYS HB3 0.000 . 5.000 3.463 3.295 3.766 . 0 0 "[ . 1 .]" 1
69 1 6 GLN H 1 26 CYS HB2 0.000 . 3.500 1.836 1.668 2.098 . 0 0 "[ . 1 .]" 1
70 1 6 GLN H 1 6 GLN QB 0.000 . 3.700 2.316 2.184 2.427 . 0 0 "[ . 1 .]" 1
71 1 6 GLN H 1 6 GLN QG 0.000 . 4.500 4.008 3.538 4.092 . 0 0 "[ . 1 .]" 1
72 1 4 LYS HB2 1 6 GLN H 0.000 . 6.000 5.761 5.584 5.900 . 0 0 "[ . 1 .]" 1
73 1 4 LYS HB3 1 6 GLN H 0.000 . 6.000 5.459 5.181 5.678 . 0 0 "[ . 1 .]" 1
74 1 4 LYS QD 1 6 GLN H 0.000 . 6.000 4.890 4.464 5.306 . 0 0 "[ . 1 .]" 1
75 1 4 LYS QG 1 6 GLN H 0.000 . 7.000 4.951 4.752 5.244 . 0 0 "[ . 1 .]" 1
76 1 4 LYS H 1 6 GLN H 0.000 . 5.000 4.870 4.615 5.005 0.005 14 0 "[ . 1 .]" 1
77 1 6 GLN HA 1 6 GLN HE21 0.000 . 6.000 4.353 3.464 5.262 . 0 0 "[ . 1 .]" 1
78 1 3 LEU HB2 1 6 GLN HE21 0.000 . 7.000 3.631 2.190 5.294 . 0 0 "[ . 1 .]" 1
79 1 3 LEU HB3 1 6 GLN HE21 0.000 . 6.000 3.079 1.942 5.011 . 0 0 "[ . 1 .]" 1
80 1 3 LEU QD 1 6 GLN HE21 0.000 . 7.500 4.136 3.296 5.614 . 0 0 "[ . 1 .]" 1
81 1 3 LEU HG 1 6 GLN HE22 0.000 . 7.000 5.432 3.507 7.012 0.012 2 0 "[ . 1 .]" 1
82 1 3 LEU HB2 1 6 GLN HE22 0.000 . 6.000 3.754 2.571 5.716 . 0 0 "[ . 1 .]" 1
83 1 3 LEU HB3 1 6 GLN HE22 0.000 . 6.000 3.513 1.897 4.699 . 0 0 "[ . 1 .]" 1
84 1 3 LEU QD 1 6 GLN HE22 0.000 . 7.500 4.188 2.744 5.315 . 0 0 "[ . 1 .]" 1
85 1 7 SER H 1 8 CYS HA 0.000 . 7.000 5.853 5.727 5.961 . 0 0 "[ . 1 .]" 1
86 1 6 GLN HA 1 7 SER H 0.000 . 2.700 2.299 2.134 2.444 . 0 0 "[ . 1 .]" 1
87 1 7 SER H 1 7 SER HB3 0.000 . 3.500 2.590 2.493 2.681 . 0 0 "[ . 1 .]" 1
88 1 7 SER H 1 7 SER HB2 0.000 . 3.500 3.548 3.543 3.559 0.059 12 0 "[ . 1 .]" 1
89 1 6 GLN QB 1 7 SER H 0.000 . 4.500 3.216 2.411 3.652 . 0 0 "[ . 1 .]" 1
90 1 6 GLN QG 1 7 SER H 0.000 . 3.700 2.359 1.814 3.171 . 0 0 "[ . 1 .]" 1
91 1 8 CYS H 1 25 LYS HA 0.000 . 3.500 3.056 2.066 3.520 0.020 8 0 "[ . 1 .]" 1
92 1 7 SER HA 1 8 CYS H 0.000 . 2.700 2.078 2.038 2.100 . 0 0 "[ . 1 .]" 1
93 1 8 CYS H 1 24 GLY HA3 0.000 . 5.000 4.389 4.219 4.900 . 0 0 "[ . 1 .]" 1
94 1 8 CYS H 1 24 GLY HA2 0.000 . 5.000 3.768 3.327 4.633 . 0 0 "[ . 1 .]" 1
95 1 8 CYS H 1 8 CYS HB3 0.000 . 3.500 3.422 3.211 3.526 0.026 7 0 "[ . 1 .]" 1
96 1 8 CYS H 1 26 CYS HB2 0.000 . 6.000 6.015 5.871 6.048 0.048 9 0 "[ . 1 .]" 1
97 1 8 CYS H 1 25 LYS HB2 0.000 . 6.000 5.124 4.033 5.651 . 0 0 "[ . 1 .]" 1
98 1 8 CYS H 1 25 LYS QG 0.000 . 7.000 5.335 4.446 5.922 . 0 0 "[ . 1 .]" 1
99 1 7 SER HB2 1 8 CYS H 0.000 . 3.500 3.508 3.424 3.574 0.074 12 0 "[ . 1 .]" 1
100 1 8 CYS H 1 26 CYS H 0.000 . 5.000 4.438 3.821 4.733 . 0 0 "[ . 1 .]" 1
101 1 8 CYS HA 1 14 ASP HB3 0.000 . 5.000 4.326 2.551 5.019 0.019 1 0 "[ . 1 .]" 1
102 1 8 CYS HA 1 14 ASP HB2 0.000 . 5.000 4.230 2.931 5.057 0.057 3 0 "[ . 1 .]" 1
103 1 8 CYS HB2 1 14 ASP HB3 0.000 . 5.000 3.678 2.274 4.664 . 0 0 "[ . 1 .]" 1
104 1 8 CYS HB2 1 14 ASP HB2 0.000 . 5.000 3.317 2.170 4.914 . 0 0 "[ . 1 .]" 1
105 1 8 CYS HB3 1 14 ASP HB3 0.000 . 5.000 3.788 2.900 5.044 0.044 9 0 "[ . 1 .]" 1
106 1 8 CYS HB3 1 14 ASP HB2 0.000 . 5.000 4.016 3.261 4.958 . 0 0 "[ . 1 .]" 1
107 1 8 CYS HA 1 9 ARG H 0.000 . 2.700 2.594 2.178 2.727 0.027 10 0 "[ . 1 .]" 1
108 1 9 ARG H 1 14 ASP HB3 0.000 . 6.000 4.778 3.114 5.685 . 0 0 "[ . 1 .]" 1
109 1 9 ARG H 1 14 ASP HB2 0.000 . 6.000 3.981 2.614 5.627 . 0 0 "[ . 1 .]" 1
110 1 9 ARG H 1 9 ARG QG 0.000 . 4.500 3.702 3.294 4.128 . 0 0 "[ . 1 .]" 1
111 1 8 CYS HB2 1 9 ARG H 0.000 . 2.700 2.032 1.805 2.463 . 0 0 "[ . 1 .]" 1
112 1 8 CYS HB3 1 9 ARG H 0.000 . 3.500 3.483 3.387 3.589 0.089 3 0 "[ . 1 .]" 1
113 1 9 ARG H 1 14 ASP H 0.000 . 6.000 4.467 2.930 5.984 . 0 0 "[ . 1 .]" 1
114 1 9 ARG QB 1 12 SER HB3 0.000 . 6.000 3.087 2.208 3.939 . 0 0 "[ . 1 .]" 1
115 1 9 ARG QB 1 12 SER HB2 0.000 . 6.000 2.623 2.133 4.023 . 0 0 "[ . 1 .]" 1
116 1 9 ARG HA 1 10 LYS H 0.000 . 3.500 2.203 2.080 2.309 . 0 0 "[ . 1 .]" 1
117 1 10 LYS H 1 10 LYS QB 0.000 . 3.700 2.425 2.061 2.719 . 0 0 "[ . 1 .]" 1
118 1 10 LYS H 1 10 LYS QD 0.000 . 4.500 3.585 1.896 4.129 . 0 0 "[ . 1 .]" 1
119 1 10 LYS H 1 10 LYS QG 0.000 . 4.500 2.622 1.992 4.070 . 0 0 "[ . 1 .]" 1
120 1 10 LYS H 1 11 THR MG 0.000 . 7.500 5.383 3.958 6.402 . 0 0 "[ . 1 .]" 1
121 1 9 ARG H 1 10 LYS H 0.000 . 5.000 4.376 4.213 4.613 . 0 0 "[ . 1 .]" 1
122 1 10 LYS H 1 21 GLY H 0.000 . 5.000 4.852 4.507 5.026 0.026 1 0 "[ . 1 .]" 1
123 1 10 LYS H 1 11 THR H 0.000 . 5.000 4.392 2.932 4.653 . 0 0 "[ . 1 .]" 1
124 1 10 LYS H 1 12 SER H 0.000 . 5.000 4.541 4.037 4.941 . 0 0 "[ . 1 .]" 1
125 1 10 LYS HA 1 20 CYS QB 0.000 . 3.700 2.583 2.119 2.912 . 0 0 "[ . 1 .]" 1
126 1 10 LYS HA 1 11 THR H 0.000 . 3.500 2.384 2.089 3.517 0.017 12 0 "[ . 1 .]" 1
127 1 10 LYS QB 1 11 THR H 0.000 . 6.000 2.943 2.097 3.601 . 0 0 "[ . 1 .]" 1
128 1 11 THR H 1 12 SER H 0.000 . 3.500 2.909 2.746 3.054 . 0 0 "[ . 1 .]" 1
129 1 11 THR HA 1 12 SER H 0.000 . 3.500 3.214 2.807 3.488 . 0 0 "[ . 1 .]" 1
130 1 10 LYS HA 1 12 SER H 0.000 . 5.000 3.484 3.154 4.056 . 0 0 "[ . 1 .]" 1
131 1 12 SER H 1 12 SER HB3 0.000 . 3.500 2.832 2.530 3.561 0.061 3 0 "[ . 1 .]" 1
132 1 12 SER H 1 12 SER HB2 0.000 . 3.500 2.631 2.185 3.399 . 0 0 "[ . 1 .]" 1
133 1 12 SER H 1 20 CYS QB 0.000 . 6.000 3.728 2.405 4.523 . 0 0 "[ . 1 .]" 1
134 1 10 LYS QB 1 12 SER H 0.000 . 7.000 4.534 4.240 4.911 . 0 0 "[ . 1 .]" 1
135 1 10 LYS QG 1 12 SER H 0.000 . 7.000 4.705 4.384 5.470 . 0 0 "[ . 1 .]" 1
136 1 11 THR MG 1 12 SER H 0.000 . 6.500 3.765 2.446 4.535 . 0 0 "[ . 1 .]" 1
137 1 12 SER HA 1 20 CYS QB 0.000 . 7.000 5.840 5.076 6.262 . 0 0 "[ . 1 .]" 1
138 1 12 SER HA 1 13 TYR H 0.000 . 3.500 3.371 2.526 3.522 0.022 12 0 "[ . 1 .]" 1
139 1 11 THR HA 1 13 TYR H 0.000 . 5.000 3.928 3.021 4.563 . 0 0 "[ . 1 .]" 1
140 1 12 SER HB3 1 13 TYR H 0.000 . 5.000 3.075 2.513 4.291 . 0 0 "[ . 1 .]" 1
141 1 12 SER HB2 1 13 TYR H 0.000 . 5.000 3.867 3.391 4.542 . 0 0 "[ . 1 .]" 1
142 1 13 TYR H 1 13 TYR HB2 0.000 . 3.500 3.433 2.540 3.562 0.062 9 0 "[ . 1 .]" 1
143 1 12 SER H 1 13 TYR H 0.000 . 3.500 2.304 1.942 2.637 . 0 0 "[ . 1 .]" 1
144 1 13 TYR H 1 14 ASP H 0.000 . 3.500 2.821 2.718 3.381 . 0 0 "[ . 1 .]" 1
145 1 13 TYR H 1 13 TYR QD 0.000 . 5.500 3.141 2.338 3.501 . 0 0 "[ . 1 .]" 1
146 1 13 TYR QD 1 14 ASP HA 0.000 . 8.000 6.136 6.063 6.222 . 0 0 "[ . 1 .]" 1
147 1 12 SER HA 1 13 TYR QD 0.000 . 7.000 3.995 3.385 4.546 . 0 0 "[ . 1 .]" 1
148 1 12 SER HA 1 13 TYR QE 0.000 . 8.000 5.331 4.404 5.939 . 0 0 "[ . 1 .]" 1
149 1 11 THR HA 1 13 TYR QE 0.000 . 8.000 2.898 2.184 4.630 . 0 0 "[ . 1 .]" 1
150 1 11 THR MG 1 13 TYR QE 0.000 . 9.000 4.069 2.665 5.289 . 0 0 "[ . 1 .]" 1
151 1 13 TYR HA 1 13 TYR HB3 0.000 . 2.700 2.531 2.447 2.666 . 0 0 "[ . 1 .]" 1
152 1 13 TYR HA 1 14 ASP H 0.000 . 3.500 2.927 2.674 3.523 0.023 6 0 "[ . 1 .]" 1
153 1 12 SER HA 1 14 ASP H 0.000 . 5.000 4.338 4.026 4.712 . 0 0 "[ . 1 .]" 1
154 1 12 SER HB3 1 14 ASP H 0.000 . 6.000 2.924 2.464 5.464 . 0 0 "[ . 1 .]" 1
155 1 12 SER HB2 1 14 ASP H 0.000 . 6.000 4.348 3.020 6.017 0.017 6 0 "[ . 1 .]" 1
156 1 13 TYR HB3 1 14 ASP H 0.000 . 6.000 4.367 3.045 4.546 . 0 0 "[ . 1 .]" 1
157 1 13 TYR HB2 1 14 ASP H 0.000 . 6.000 3.965 2.464 4.291 . 0 0 "[ . 1 .]" 1
158 1 14 ASP H 1 14 ASP HB3 0.000 . 3.500 3.232 2.410 3.525 0.025 8 0 "[ . 1 .]" 1
159 1 14 ASP H 1 14 ASP HB2 0.000 . 3.500 2.327 2.096 3.542 0.042 9 0 "[ . 1 .]" 1
160 1 13 TYR HB3 1 14 ASP HA 0.000 . 6.000 5.111 4.752 5.364 . 0 0 "[ . 1 .]" 1
161 1 14 ASP H 1 20 CYS QB 0.000 . 7.000 4.128 3.292 4.786 . 0 0 "[ . 1 .]" 1
162 1 14 ASP HA 1 15 CYS H 0.000 . 3.500 3.399 3.228 3.494 . 0 0 "[ . 1 .]" 1
163 1 14 ASP QB 1 15 CYS H 0.000 . 4.500 3.106 2.693 3.573 . 0 0 "[ . 1 .]" 1
164 1 15 CYS H 1 20 CYS QB 0.000 . 7.000 4.064 2.833 5.440 . 0 0 "[ . 1 .]" 1
165 1 14 ASP H 1 15 CYS H 0.000 . 2.700 2.625 2.384 2.763 0.063 6 0 "[ . 1 .]" 1
166 1 2 LYS QB 1 15 CYS HA 0.000 . 6.000 2.049 1.943 2.183 . 0 0 "[ . 1 .]" 1
167 1 15 CYS HA 1 15 CYS HB3 0.000 . 2.700 2.293 2.245 2.346 . 0 0 "[ . 1 .]" 1
168 1 15 CYS HA 1 16 CYS H 0.000 . 2.700 2.123 2.007 2.210 . 0 0 "[ . 1 .]" 1
169 1 15 CYS H 1 16 CYS H 0.000 . 5.000 4.534 4.471 4.568 . 0 0 "[ . 1 .]" 1
170 1 1 CYS HA 1 16 CYS H 0.000 . 6.000 4.733 4.474 4.978 . 0 0 "[ . 1 .]" 1
171 1 2 LYS HA 1 16 CYS H 0.000 . 6.000 4.456 4.337 4.565 . 0 0 "[ . 1 .]" 1
172 1 3 LEU HA 1 16 CYS H 0.000 . 6.000 3.998 3.607 4.216 . 0 0 "[ . 1 .]" 1
173 1 16 CYS H 1 16 CYS HB2 0.000 . 3.500 2.141 2.081 2.185 . 0 0 "[ . 1 .]" 1
174 1 16 CYS H 1 16 CYS HB3 0.000 . 3.500 3.477 3.456 3.513 0.013 7 0 "[ . 1 .]" 1
175 1 15 CYS HB2 1 16 CYS H 0.000 . 3.500 3.397 3.305 3.517 0.017 7 0 "[ . 1 .]" 1
176 1 1 CYS QB 1 16 CYS H 0.000 . 4.500 2.510 2.250 2.648 . 0 0 "[ . 1 .]" 1
177 1 2 LYS QB 1 16 CYS H 0.000 . 6.000 3.489 3.352 3.629 . 0 0 "[ . 1 .]" 1
178 1 2 LYS HG3 1 16 CYS H 0.000 . 6.000 5.446 5.259 5.843 . 0 0 "[ . 1 .]" 1
179 1 2 LYS HG2 1 16 CYS H 0.000 . 6.000 4.736 4.265 5.703 . 0 0 "[ . 1 .]" 1
180 1 16 CYS H 1 26 CYS HB2 0.000 . 7.000 6.153 5.682 6.804 . 0 0 "[ . 1 .]" 1
181 1 3 LEU QD 1 16 CYS H 0.000 . 8.500 5.093 4.405 5.986 . 0 0 "[ . 1 .]" 1
182 1 2 LYS H 1 16 CYS H 0.000 . 2.700 2.741 2.720 2.821 0.121 7 0 "[ . 1 .]" 1
183 1 16 CYS H 1 17 SER H 0.000 . 2.700 2.738 2.702 2.779 0.079 6 0 "[ . 1 .]" 1
184 1 16 CYS HA 1 16 CYS HB2 0.000 . 2.700 2.883 2.876 2.891 0.191 15 0 "[ . 1 .]" 1
185 1 1 CYS HB3 1 16 CYS HA 0.000 . 3.500 2.941 2.745 3.204 . 0 0 "[ . 1 .]" 1
186 1 1 CYS HB2 1 16 CYS HA 0.000 . 3.500 2.334 2.193 2.520 . 0 0 "[ . 1 .]" 1
187 1 15 CYS HA 1 17 SER H 0.000 . 5.000 4.406 4.228 4.527 . 0 0 "[ . 1 .]" 1
188 1 16 CYS HA 1 17 SER H 0.000 . 5.000 3.414 3.396 3.427 . 0 0 "[ . 1 .]" 1
189 1 16 CYS HB3 1 17 SER H 0.000 . 2.700 2.816 2.788 2.831 0.131 5 0 "[ . 1 .]" 1
190 1 15 CYS HB2 1 17 SER H 0.000 . 3.500 3.519 3.435 3.551 0.051 4 0 "[ . 1 .]" 1
191 1 17 SER H 1 18 GLY H 0.000 . 3.500 2.628 2.469 2.830 . 0 0 "[ . 1 .]" 1
192 1 17 SER HA 1 18 GLY HA3 0.000 . 6.000 4.611 4.566 4.648 . 0 0 "[ . 1 .]" 1
193 1 17 SER HA 1 18 GLY HA2 0.000 . 6.000 5.104 4.724 5.283 . 0 0 "[ . 1 .]" 1
194 1 17 SER HA 1 18 GLY H 0.000 . 3.500 3.347 3.287 3.430 . 0 0 "[ . 1 .]" 1
195 1 17 SER QB 1 18 GLY H 0.000 . 4.500 3.484 3.085 3.894 . 0 0 "[ . 1 .]" 1
196 1 15 CYS HB3 1 18 GLY H 0.000 . 6.000 3.609 3.217 3.996 . 0 0 "[ . 1 .]" 1
197 1 15 CYS HB2 1 18 GLY H 0.000 . 6.000 2.383 1.979 2.835 . 0 0 "[ . 1 .]" 1
198 1 18 GLY HA3 1 19 SER H 0.000 . 3.500 3.102 2.116 3.518 0.018 14 0 "[ . 1 .]" 1
199 1 18 GLY HA2 1 19 SER H 0.000 . 3.500 2.860 2.203 3.406 . 0 0 "[ . 1 .]" 1
200 1 19 SER HA 1 20 CYS H 0.000 . 3.500 2.876 1.981 3.424 . 0 0 "[ . 1 .]" 1
201 1 19 SER HB3 1 20 CYS H 0.000 . 3.500 3.376 2.147 3.670 0.170 1 0 "[ . 1 .]" 1
202 1 19 SER HB2 1 20 CYS H 0.000 . 3.500 3.185 1.984 3.529 0.029 15 0 "[ . 1 .]" 1
203 1 10 LYS HA 1 20 CYS H 0.000 . 7.000 4.857 2.945 6.084 . 0 0 "[ . 1 .]" 1
204 1 20 CYS H 1 21 GLY H 0.000 . 5.000 4.471 4.383 4.572 . 0 0 "[ . 1 .]" 1
205 1 15 CYS H 1 20 CYS H 0.000 . 6.000 4.630 3.840 6.032 0.032 14 0 "[ . 1 .]" 1
206 1 19 SER H 1 20 CYS H 0.000 . 5.000 3.234 1.676 4.388 . 0 0 "[ . 1 .]" 1
207 1 8 CYS HB2 1 20 CYS HA 0.000 . 6.000 4.860 4.545 5.630 . 0 0 "[ . 1 .]" 1
208 1 20 CYS HA 1 26 CYS HA 0.000 . 5.000 1.975 1.849 2.139 . 0 0 "[ . 1 .]" 1
209 1 21 GLY H 1 26 CYS HA 0.000 . 5.000 3.723 3.515 4.238 . 0 0 "[ . 1 .]" 1
210 1 20 CYS HA 1 21 GLY H 0.000 . 2.700 2.235 1.945 2.690 . 0 0 "[ . 1 .]" 1
211 1 20 CYS QB 1 21 GLY H 0.000 . 6.000 3.090 2.191 3.496 . 0 0 "[ . 1 .]" 1
212 1 21 GLY HA3 1 22 ARG H 0.000 . 3.700 3.353 3.176 3.444 . 0 0 "[ . 1 .]" 1
213 1 22 ARG H 1 23 SER HA 0.000 . 6.000 4.840 4.707 5.093 . 0 0 "[ . 1 .]" 1
214 1 22 ARG H 1 22 ARG QD 0.000 . 6.000 3.952 2.130 4.936 . 0 0 "[ . 1 .]" 1
215 1 22 ARG H 1 22 ARG QG 0.000 . 4.500 3.479 1.978 4.088 . 0 0 "[ . 1 .]" 1
216 1 22 ARG H 1 23 SER H 0.000 . 2.700 2.742 2.691 2.780 0.080 13 0 "[ . 1 .]" 1
217 1 22 ARG H 1 24 GLY H 0.000 . 5.000 3.431 2.926 4.415 . 0 0 "[ . 1 .]" 1
218 1 21 GLY H 1 22 ARG H 0.000 . 3.500 1.650 1.481 2.028 . 0 0 "[ . 1 .]" 1
219 1 21 GLY QA 1 23 SER H 0.000 . 5.000 3.073 2.995 3.166 . 0 0 "[ . 1 .]" 1
220 1 22 ARG HA 1 23 SER H 0.000 . 3.500 2.814 2.740 2.920 . 0 0 "[ . 1 .]" 1
221 1 23 SER H 1 24 GLY QA 0.000 . 7.000 4.526 3.803 4.891 . 0 0 "[ . 1 .]" 1
222 1 22 ARG QB 1 23 SER H 0.000 . 4.500 3.718 3.661 3.782 . 0 0 "[ . 1 .]" 1
223 1 22 ARG QG 1 23 SER H 0.000 . 6.000 4.521 4.311 4.752 . 0 0 "[ . 1 .]" 1
224 1 23 SER H 1 24 GLY H 0.000 . 5.000 2.551 1.709 3.182 . 0 0 "[ . 1 .]" 1
225 1 21 GLY H 1 23 SER H 0.000 . 5.000 3.713 3.241 3.993 . 0 0 "[ . 1 .]" 1
226 1 23 SER H 1 25 LYS H 0.000 . 3.500 3.516 3.282 3.558 0.058 9 0 "[ . 1 .]" 1
227 1 23 SER HA 1 24 GLY H 0.000 . 3.500 2.678 2.212 3.006 . 0 0 "[ . 1 .]" 1
228 1 23 SER HB3 1 24 GLY H 0.000 . 5.000 4.548 4.401 4.635 . 0 0 "[ . 1 .]" 1
229 1 23 SER HB2 1 24 GLY H 0.000 . 5.000 4.506 4.191 4.614 . 0 0 "[ . 1 .]" 1
230 1 22 ARG QB 1 24 GLY H 0.000 . 7.000 4.279 3.706 5.158 . 0 0 "[ . 1 .]" 1
231 1 24 GLY H 1 25 LYS H 0.000 . 2.700 2.194 1.746 2.633 . 0 0 "[ . 1 .]" 1
232 1 21 GLY H 1 24 GLY H 0.000 . 5.000 3.795 3.324 4.402 . 0 0 "[ . 1 .]" 1
233 1 7 SER HA 1 25 LYS H 0.000 . 6.000 5.310 4.490 5.942 . 0 0 "[ . 1 .]" 1
234 1 25 LYS H 1 26 CYS HA 0.000 . 6.000 5.186 4.850 5.576 . 0 0 "[ . 1 .]" 1
235 1 23 SER HA 1 25 LYS H 0.000 . 6.000 4.298 3.856 4.643 . 0 0 "[ . 1 .]" 1
236 1 23 SER HB3 1 25 LYS H 0.000 . 6.000 5.232 4.529 5.733 . 0 0 "[ . 1 .]" 1
237 1 23 SER HB2 1 25 LYS H 0.000 . 6.000 5.485 4.246 6.019 0.019 12 0 "[ . 1 .]" 1
238 1 24 GLY HA3 1 25 LYS H 0.000 . 3.500 3.277 3.043 3.478 . 0 0 "[ . 1 .]" 1
239 1 24 GLY HA2 1 25 LYS H 0.000 . 3.500 3.243 2.888 3.405 . 0 0 "[ . 1 .]" 1
240 1 25 LYS H 1 25 LYS HB3 0.000 . 3.500 2.574 2.138 3.028 . 0 0 "[ . 1 .]" 1
241 1 25 LYS H 1 25 LYS HG3 0.000 . 5.000 4.626 4.448 4.943 . 0 0 "[ . 1 .]" 1
242 1 25 LYS H 1 25 LYS HG2 0.000 . 5.000 4.200 3.929 4.952 . 0 0 "[ . 1 .]" 1
243 1 7 SER HA 1 25 LYS HA 0.000 . 3.500 3.066 2.087 3.484 . 0 0 "[ . 1 .]" 1
244 1 7 SER QB 1 25 LYS HA 0.000 . 7.000 4.846 3.977 5.224 . 0 0 "[ . 1 .]" 1
245 1 25 LYS HA 1 25 LYS HB2 0.000 . 2.700 2.335 2.240 2.737 0.037 10 0 "[ . 1 .]" 1
246 1 25 LYS HA 1 26 CYS H 0.000 . 2.700 2.257 2.069 2.452 . 0 0 "[ . 1 .]" 1
247 1 20 CYS HA 1 26 CYS H 0.000 . 6.000 4.427 4.111 4.770 . 0 0 "[ . 1 .]" 1
248 1 5 GLY HA3 1 26 CYS H 0.000 . 7.000 4.422 3.975 4.833 . 0 0 "[ . 1 .]" 1
249 1 5 GLY HA2 1 26 CYS H 0.000 . 7.000 3.010 2.372 3.619 . 0 0 "[ . 1 .]" 1
250 1 4 LYS HA 1 26 CYS H 0.000 . 5.000 4.815 4.374 5.050 0.050 13 0 "[ . 1 .]" 1
251 1 25 LYS HB3 1 26 CYS H 0.000 . 5.000 3.951 2.742 4.204 . 0 0 "[ . 1 .]" 1
252 1 25 LYS HB2 1 26 CYS H 0.000 . 3.500 3.536 3.452 3.709 0.209 9 0 "[ . 1 .]" 1
253 1 8 CYS HB3 1 26 CYS H 0.000 . 5.000 4.742 4.404 5.068 0.068 12 0 "[ . 1 .]" 1
254 1 25 LYS HG3 1 26 CYS H 0.000 . 5.000 2.379 1.640 3.745 . 0 0 "[ . 1 .]" 1
255 1 25 LYS HG2 1 26 CYS H 0.000 . 5.000 2.891 2.044 3.672 . 0 0 "[ . 1 .]" 1
256 1 6 GLN H 1 26 CYS H 0.000 . 2.700 2.718 2.557 2.773 0.073 12 0 "[ . 1 .]" 1
257 1 15 CYS HB3 1 26 CYS HA 0.000 . 5.000 4.465 4.230 4.700 . 0 0 "[ . 1 .]" 1
258 1 20 CYS QB 1 26 CYS HA 0.000 . 6.000 3.234 2.715 3.878 . 0 0 "[ . 1 .]" 1
259 1 12 SER QB 1 20 CYS QB 0.000 . 8.000 3.954 3.139 5.480 . 0 0 "[ . 1 .]" 1
260 1 15 CYS HB2 1 26 CYS HB2 0.000 . 5.000 5.041 5.015 5.074 0.074 6 0 "[ . 1 .]" 1
261 1 6 GLN QB 1 26 CYS HB2 0.000 . 6.000 3.290 3.080 3.446 . 0 0 "[ . 1 .]" 1
262 1 6 GLN QG 1 26 CYS HB2 0.000 . 6.000 5.180 4.835 5.420 . 0 0 "[ . 1 .]" 1
263 1 10 LYS H 1 22 ARG H 0.000 . 6.000 5.900 5.704 6.024 0.024 14 0 "[ . 1 .]" 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 20
_Distance_constraint_stats_list.Viol_count 94
_Distance_constraint_stats_list.Viol_total 29.642
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0210
_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 LYS 0.163 0.024 11 0 "[ . 1 .]"
1 3 LEU 0.244 0.067 12 0 "[ . 1 .]"
1 5 GLY 0.136 0.027 11 0 "[ . 1 .]"
1 6 GLN 0.398 0.067 12 0 "[ . 1 .]"
1 8 CYS 0.096 0.027 9 0 "[ . 1 .]"
1 9 ARG 0.199 0.040 4 0 "[ . 1 .]"
1 12 SER 0.199 0.040 4 0 "[ . 1 .]"
1 14 ASP 0.163 0.024 11 0 "[ . 1 .]"
1 15 CYS 0.137 0.026 12 0 "[ . 1 .]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 18 GLY 0.137 0.026 12 0 "[ . 1 .]"
1 21 GLY 0.684 0.129 5 0 "[ . 1 .]"
1 22 ARG 0.163 0.068 5 0 "[ . 1 .]"
1 24 GLY 0.096 0.027 9 0 "[ . 1 .]"
1 25 LYS 0.847 0.129 5 0 "[ . 1 .]"
1 26 CYS 0.289 0.051 10 0 "[ . 1 .]"
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 21 GLY H 1 25 LYS O 1.880 . 2.300 2.303 2.141 2.429 0.129 5 0 "[ . 1 .]" 2
2 1 21 GLY N 1 25 LYS O 1.880 . 3.200 3.194 3.056 3.273 0.073 15 0 "[ . 1 .]" 2
3 1 22 ARG H 1 25 LYS O 1.880 . 2.300 2.242 2.097 2.305 0.005 14 0 "[ . 1 .]" 2
4 1 22 ARG N 1 25 LYS O 1.880 . 3.200 3.163 2.988 3.268 0.068 5 0 "[ . 1 .]" 2
5 1 3 LEU O 1 6 GLN H 1.880 . 2.300 2.291 2.138 2.367 0.067 12 0 "[ . 1 .]" 2
6 1 3 LEU O 1 6 GLN N 1.880 . 3.200 3.033 2.846 3.145 . 0 0 "[ . 1 .]" 2
7 1 9 ARG O 1 12 SER H 1.880 . 2.300 2.293 2.138 2.340 0.040 4 0 "[ . 1 .]" 2
8 1 9 ARG O 1 12 SER N 1.880 . 3.200 3.099 2.850 3.191 . 0 0 "[ . 1 .]" 2
9 1 15 CYS O 1 18 GLY H 1.880 . 2.300 2.271 2.138 2.326 0.026 12 0 "[ . 1 .]" 2
10 1 15 CYS O 1 18 GLY N 1.880 . 3.200 3.032 2.903 3.197 . 0 0 "[ . 1 .]" 2
11 1 6 GLN O 1 26 CYS H 1.880 . 2.300 2.229 2.027 2.351 0.051 10 0 "[ . 1 .]" 2
12 1 6 GLN O 1 26 CYS N 1.880 . 3.200 2.945 2.774 3.089 . 0 0 "[ . 1 .]" 2
13 1 5 GLY H 1 26 CYS O 1.880 . 2.300 2.184 1.985 2.327 0.027 11 0 "[ . 1 .]" 2
14 1 5 GLY N 1 26 CYS O 1.880 . 3.200 2.959 2.796 3.215 0.015 7 0 "[ . 1 .]" 2
15 1 8 CYS H 1 24 GLY O 1.880 . 2.300 2.168 1.977 2.317 0.017 10 0 "[ . 1 .]" 2
16 1 8 CYS N 1 24 GLY O 1.880 . 3.200 3.080 2.910 3.227 0.027 9 0 "[ . 1 .]" 2
17 1 2 LYS H 1 14 ASP O 1.880 . 2.300 2.239 2.083 2.324 0.024 11 0 "[ . 1 .]" 2
18 1 2 LYS N 1 14 ASP O 1.880 . 3.200 3.123 2.869 3.219 0.019 7 0 "[ . 1 .]" 2
19 1 2 LYS O 1 16 CYS H 1.880 . 2.300 1.960 1.911 1.993 . 0 0 "[ . 1 .]" 2
20 1 2 LYS O 1 16 CYS N 1.880 . 3.200 2.919 2.875 2.953 . 0 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, June 28, 2024 6:18:40 AM GMT (wattos1)