NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619038 |
5y0i   |
36106 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5y0i
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 243
_Distance_constraint_stats_list.Viol_total 721.372
_Distance_constraint_stats_list.Viol_max 0.965
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.1484
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 5.347 0.699 13 8 "[*** * -1 +*.* 2]"
1 2 PHE 14.223 0.965 12 13 "[****** *-1 +**** 2]"
1 3 CYS 8.001 0.881 4 8 "[** +** * 1 - * 2]"
1 4 TRP 5.290 0.965 12 3 "[ . -1 + *. 2]"
1 5 ASN 2.824 0.348 5 0 "[ . 1 . 2]"
1 6 VAL 1.828 0.279 13 0 "[ . 1 . 2]"
1 7 CYS 0.712 0.360 1 0 "[ . 1 . 2]"
1 8 VAL 0.922 0.076 9 0 "[ . 1 . 2]"
1 9 TYR 1.818 0.348 5 0 "[ . 1 . 2]"
1 10 ARG 1.065 0.104 18 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.082 0.045 16 0 "[ . 1 . 2]"
1 13 VAL 2.685 0.326 8 0 "[ . 1 . 2]"
1 14 ARG 0.699 0.360 1 0 "[ . 1 . 2]"
1 15 VAL 0.747 0.196 16 0 "[ . 1 . 2]"
1 16 CYS 0.001 0.001 2 0 "[ . 1 . 2]"
1 17 HIS 1.686 0.279 19 0 "[ . 1 . 2]"
1 18 ARG 3.687 0.576 15 1 "[ . 1 + 2]"
1 19 ARG 4.393 0.754 14 3 "[ . -1 * +. 2]"
1 20 CYS 4.930 0.363 14 0 "[ . 1 . 2]"
1 21 ASN 0.281 0.156 7 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 5 ASN H 1 5 ASN HB3 2.286 . 2.939 2.821 2.443 3.287 0.348 5 0 "[ . 1 . 2]" 1
2 1 16 CYS H 1 16 CYS HB3 2.599 . 3.443 3.003 2.666 3.305 . 0 0 "[ . 1 . 2]" 1
3 1 8 VAL H 1 8 VAL MG1 2.359 . 3.054 2.437 2.225 2.684 . 0 0 "[ . 1 . 2]" 1
4 1 6 VAL HA 1 6 VAL QG 1.987 . 2.481 1.944 1.859 2.013 . 0 0 "[ . 1 . 2]" 1
5 1 13 VAL HA 1 13 VAL QG 2.601 . 3.446 2.154 2.022 2.225 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL QG 1 16 CYS HA 3.653 . 5.321 3.874 3.516 4.088 . 0 0 "[ . 1 . 2]" 1
7 1 10 ARG H 1 13 VAL H 2.602 . 3.448 3.160 2.574 3.450 0.002 19 0 "[ . 1 . 2]" 1
8 1 12 GLY H 1 13 VAL H 2.670 . 3.561 2.624 2.353 2.762 . 0 0 "[ . 1 . 2]" 1
9 1 4 TRP H 1 4 TRP HE3 2.724 . 3.651 2.857 2.493 3.270 . 0 0 "[ . 1 . 2]" 1
10 1 9 TYR H 1 9 TYR QD 2.889 . 3.932 2.878 2.520 3.306 . 0 0 "[ . 1 . 2]" 1
11 1 4 TRP HZ3 1 21 ASN H 2.917 . 3.981 2.665 2.095 3.342 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP H 1 19 ARG H 2.634 . 3.501 3.107 2.713 3.514 0.013 2 0 "[ . 1 . 2]" 1
13 1 8 VAL H 1 15 VAL H 2.601 . 3.447 3.347 2.881 3.501 0.054 5 0 "[ . 1 . 2]" 1
14 1 11 ASN H 1 12 GLY H 2.758 . 3.709 2.625 2.545 2.714 . 0 0 "[ . 1 . 2]" 1
15 1 2 PHE H 1 21 ASN H 2.833 . 3.836 3.187 2.804 3.738 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 4 TRP HE3 2.705 . 3.620 2.931 2.611 3.117 . 0 0 "[ . 1 . 2]" 1
17 1 9 TYR HA 1 9 TYR QD 3.049 . 4.211 2.792 2.544 3.061 . 0 0 "[ . 1 . 2]" 1
18 1 16 CYS HA 1 17 HIS H 2.060 . 2.591 2.155 2.117 2.260 . 0 0 "[ . 1 . 2]" 1
19 1 7 CYS H 1 7 CYS HA 2.957 . 4.050 2.939 2.931 2.944 . 0 0 "[ . 1 . 2]" 1
20 1 7 CYS HA 1 8 VAL H 2.030 . 2.545 2.141 2.097 2.200 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HA 1 4 TRP H 2.139 . 2.711 2.208 2.126 2.352 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP H 1 20 CYS HA 3.082 . 4.269 3.560 3.139 3.791 . 0 0 "[ . 1 . 2]" 1
23 1 20 CYS HA 1 21 ASN H 2.276 . 2.923 2.144 2.097 2.290 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASN HA 1 6 VAL H 2.152 . 2.731 2.138 2.104 2.186 . 0 0 "[ . 1 . 2]" 1
25 1 5 ASN H 1 5 ASN HA 2.921 . 3.987 2.933 2.913 2.947 . 0 0 "[ . 1 . 2]" 1
26 1 9 TYR HA 1 10 ARG H 2.231 . 2.853 2.121 2.086 2.155 . 0 0 "[ . 1 . 2]" 1
27 1 2 PHE HA 1 3 CYS H 2.487 . 3.260 2.333 2.127 2.789 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG HA 1 11 ASN H 2.207 . 2.816 2.150 2.112 2.194 . 0 0 "[ . 1 . 2]" 1
29 1 8 VAL HA 1 9 TYR H 2.288 . 2.942 2.368 2.211 2.606 . 0 0 "[ . 1 . 2]" 1
30 1 11 ASN H 1 11 ASN HA 2.163 . 2.748 2.265 2.258 2.271 . 0 0 "[ . 1 . 2]" 1
31 1 11 ASN HA 1 12 GLY H 2.677 . 3.573 2.899 2.670 3.042 . 0 0 "[ . 1 . 2]" 1
32 1 13 VAL H 1 13 VAL HA 2.929 . 4.002 2.929 2.907 2.949 . 0 0 "[ . 1 . 2]" 1
33 1 19 ARG H 1 19 ARG HA 2.715 . 3.637 2.933 2.875 2.951 . 0 0 "[ . 1 . 2]" 1
34 1 13 VAL HA 1 14 ARG H 2.049 . 2.574 2.250 2.182 2.329 . 0 0 "[ . 1 . 2]" 1
35 1 19 ARG HA 1 20 CYS H 2.098 . 2.648 2.242 2.139 2.413 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL HA 1 7 CYS H 2.041 . 2.562 2.244 2.080 2.335 . 0 0 "[ . 1 . 2]" 1
37 1 15 VAL H 1 15 VAL HA 2.870 . 3.900 2.930 2.906 2.949 . 0 0 "[ . 1 . 2]" 1
38 1 15 VAL HA 1 16 CYS H 1.988 . 2.482 2.169 2.139 2.239 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLY H 1 12 GLY HA3 2.822 . 3.817 2.923 2.890 2.935 . 0 0 "[ . 1 . 2]" 1
40 1 14 ARG HA 1 15 VAL H 2.056 . 2.585 2.146 2.099 2.183 . 0 0 "[ . 1 . 2]" 1
41 1 14 ARG H 1 14 ARG HA 2.826 . 3.824 2.903 2.878 2.924 . 0 0 "[ . 1 . 2]" 1
42 1 1 GLY HA3 1 2 PHE H 2.247 . 2.878 2.918 2.155 3.577 0.699 13 8 "[*** * -1 +*.* 2]" 1
43 1 12 GLY H 1 12 GLY HA2 2.384 . 3.094 2.362 2.321 2.381 . 0 0 "[ . 1 . 2]" 1
44 1 4 TRP HB3 1 4 TRP HE3 2.726 . 3.655 2.650 2.585 2.734 . 0 0 "[ . 1 . 2]" 1
45 1 4 TRP HB3 1 4 TRP HD1 2.984 . 4.097 3.782 3.746 3.813 . 0 0 "[ . 1 . 2]" 1
46 1 4 TRP HB2 1 5 ASN H 2.481 . 3.250 2.839 2.504 3.093 . 0 0 "[ . 1 . 2]" 1
47 1 4 TRP HB2 1 4 TRP HE3 3.123 . 4.342 4.155 4.121 4.197 . 0 0 "[ . 1 . 2]" 1
48 1 4 TRP HB2 1 4 TRP HD1 2.677 . 3.573 2.626 2.590 2.662 . 0 0 "[ . 1 . 2]" 1
49 1 2 PHE H 1 2 PHE HB2 2.606 . 3.455 2.806 2.370 3.660 0.205 11 0 "[ . 1 . 2]" 1
50 1 2 PHE HB2 1 3 CYS H 2.621 . 3.480 3.673 2.395 4.361 0.881 4 8 "[** +** * 1 - * 2]" 1
51 1 2 PHE HB2 1 2 PHE QD 2.475 . 3.241 2.354 2.274 2.471 . 0 0 "[ . 1 . 2]" 1
52 1 2 PHE HB2 1 4 TRP HE3 3.118 . 4.333 3.846 3.161 5.298 0.965 12 1 "[ . 1 + . 2]" 1
53 1 10 ARG HD2 1 10 ARG HE 2.934 . 4.010 2.731 2.369 2.951 . 0 0 "[ . 1 . 2]" 1
54 1 17 HIS HB2 1 18 ARG H 2.888 . 3.931 3.298 2.627 4.025 0.094 15 0 "[ . 1 . 2]" 1
55 1 4 TRP HZ2 1 19 ARG QD 2.775 . 3.738 2.212 1.907 2.797 . 0 0 "[ . 1 . 2]" 1
56 1 19 ARG QD 1 19 ARG HE 2.609 . 3.460 2.475 2.410 2.494 . 0 0 "[ . 1 . 2]" 1
57 1 17 HIS H 1 17 HIS HB3 2.952 . 4.041 3.617 3.225 3.869 . 0 0 "[ . 1 . 2]" 1
58 1 17 HIS HB3 1 18 ARG H 2.769 . 3.727 3.442 2.906 4.006 0.279 19 0 "[ . 1 . 2]" 1
59 1 17 HIS HB3 1 17 HIS HD2 2.910 . 3.968 3.269 2.672 3.956 . 0 0 "[ . 1 . 2]" 1
60 1 18 ARG HD2 1 18 ARG HE 2.640 . 3.511 2.721 2.463 2.951 . 0 0 "[ . 1 . 2]" 1
61 1 14 ARG QD 1 14 ARG HE 2.653 . 3.533 2.449 2.311 2.494 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR QE 1 14 ARG QD 2.995 . 4.116 3.161 2.445 3.660 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS H 1 7 CYS HB2 2.538 . 3.343 2.620 2.304 2.828 . 0 0 "[ . 1 . 2]" 1
64 1 21 ASN H 1 21 ASN HB2 2.575 . 3.404 2.979 2.405 3.368 . 0 0 "[ . 1 . 2]" 1
65 1 20 CYS H 1 20 CYS HB2 3.020 . 4.160 2.681 2.428 3.184 . 0 0 "[ . 1 . 2]" 1
66 1 21 ASN HB2 1 21 ASN HD21 2.996 . 4.118 2.756 2.216 3.451 . 0 0 "[ . 1 . 2]" 1
67 1 4 TRP HZ3 1 21 ASN HB2 2.904 . 3.958 2.781 2.102 3.968 0.010 19 0 "[ . 1 . 2]" 1
68 1 4 TRP HH2 1 21 ASN HB2 2.707 . 3.623 2.529 2.022 3.196 . 0 0 "[ . 1 . 2]" 1
69 1 16 CYS H 1 16 CYS HB2 2.444 . 3.190 2.539 2.289 2.830 . 0 0 "[ . 1 . 2]" 1
70 1 3 CYS H 1 3 CYS HB2 2.658 . 3.541 2.708 2.533 2.906 . 0 0 "[ . 1 . 2]" 1
71 1 20 CYS H 1 20 CYS HB3 2.610 . 3.462 3.619 2.844 3.825 0.363 14 0 "[ . 1 . 2]" 1
72 1 9 TYR H 1 9 TYR HB2 2.423 . 3.157 2.456 2.274 2.607 . 0 0 "[ . 1 . 2]" 1
73 1 9 TYR HB2 1 9 TYR QD 2.475 . 3.241 2.365 2.289 2.476 . 0 0 "[ . 1 . 2]" 1
74 1 9 TYR HB3 1 9 TYR QD 2.412 . 3.139 2.448 2.337 2.554 . 0 0 "[ . 1 . 2]" 1
75 1 5 ASN HB3 1 5 ASN HD21 3.028 . 4.174 2.829 2.194 3.497 . 0 0 "[ . 1 . 2]" 1
76 1 3 CYS HB3 1 4 TRP H 2.635 . 3.503 3.054 2.626 3.439 . 0 0 "[ . 1 . 2]" 1
77 1 5 ASN HB2 1 6 VAL H 3.069 . 4.246 3.968 3.163 4.462 0.216 10 0 "[ . 1 . 2]" 1
78 1 5 ASN H 1 5 ASN HB2 2.935 . 4.011 3.197 2.389 3.805 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS HB3 1 8 VAL H 2.798 . 3.777 3.504 2.924 3.821 0.044 19 0 "[ . 1 . 2]" 1
80 1 8 VAL HB 1 9 TYR H 2.439 . 3.183 2.559 2.079 2.915 . 0 0 "[ . 1 . 2]" 1
81 1 13 VAL HB 1 14 ARG H 3.013 . 4.148 3.719 2.467 4.183 0.035 12 0 "[ . 1 . 2]" 1
82 1 13 VAL H 1 13 VAL HB 2.523 . 3.319 2.991 2.309 3.645 0.326 8 0 "[ . 1 . 2]" 1
83 1 15 VAL H 1 15 VAL HB 2.627 . 3.489 2.702 2.473 3.685 0.196 16 0 "[ . 1 . 2]" 1
84 1 10 ARG H 1 10 ARG HB3 3.003 . 4.130 3.013 2.541 3.809 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL H 1 6 VAL HB 2.574 . 3.402 3.023 2.529 3.681 0.279 13 0 "[ . 1 . 2]" 1
86 1 14 ARG H 1 14 ARG HB3 2.389 . 3.102 2.476 2.331 2.622 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG H 1 10 ARG HB2 3.009 . 4.141 2.915 2.547 3.347 . 0 0 "[ . 1 . 2]" 1
88 1 18 ARG H 1 18 ARG HB3 2.293 . 2.950 2.521 2.306 2.820 . 0 0 "[ . 1 . 2]" 1
89 1 18 ARG HG2 1 19 ARG H 2.964 . 4.062 3.513 3.122 3.915 . 0 0 "[ . 1 . 2]" 1
90 1 14 ARG H 1 14 ARG HB2 2.560 . 3.379 2.721 2.554 2.892 . 0 0 "[ . 1 . 2]" 1
91 1 9 TYR QE 1 14 ARG HB2 2.992 . 4.111 2.464 2.127 3.053 . 0 0 "[ . 1 . 2]" 1
92 1 19 ARG HB2 1 20 CYS H 3.098 . 4.298 4.096 3.645 4.311 0.013 19 0 "[ . 1 . 2]" 1
93 1 6 VAL QG 1 7 CYS H 2.653 . 3.532 2.261 2.090 3.226 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL QG 1 17 HIS H 3.139 . 4.371 3.258 2.977 3.697 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL MG1 1 17 HIS HE1 3.125 . 4.346 4.029 2.807 4.417 0.071 1 0 "[ . 1 . 2]" 1
96 1 4 TRP HE1 1 6 VAL QG 2.466 . 3.226 2.880 2.586 3.236 0.010 2 0 "[ . 1 . 2]" 1
97 1 8 VAL MG1 1 9 TYR H 2.751 . 3.697 3.695 3.498 3.754 0.057 6 0 "[ . 1 . 2]" 1
98 1 4 TRP HD1 1 6 VAL QG 2.461 . 3.218 2.902 1.838 3.181 . 0 0 "[ . 1 . 2]" 1
99 1 13 VAL QG 1 14 ARG H 2.685 . 3.586 2.462 1.986 3.272 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL H 1 13 VAL QG 2.491 . 3.267 2.168 1.845 2.610 . 0 0 "[ . 1 . 2]" 1
101 1 15 VAL H 1 15 VAL QG 2.637 . 3.506 2.327 1.897 2.655 . 0 0 "[ . 1 . 2]" 1
102 1 10 ARG H 1 15 VAL QG 3.042 . 4.199 2.833 2.657 3.420 . 0 0 "[ . 1 . 2]" 1
103 1 15 VAL QG 1 16 CYS H 3.029 . 3.633 3.110 2.695 3.408 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL MG2 1 9 TYR H 3.075 . 4.257 3.531 3.000 3.888 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL H 1 8 VAL MG2 2.387 . 3.099 2.050 1.870 2.229 . 0 0 "[ . 1 . 2]" 1
106 1 15 VAL QG 1 17 HIS HE1 3.209 . 4.496 3.271 2.160 4.532 0.036 2 0 "[ . 1 . 2]" 1
107 1 7 CYS HA 1 7 CYS HB2 2.786 . 3.756 3.018 2.958 3.026 . 0 0 "[ . 1 . 2]" 1
108 1 20 CYS HA 1 20 CYS HB2 2.417 . 3.147 2.944 2.513 3.024 . 0 0 "[ . 1 . 2]" 1
109 1 16 CYS HA 1 16 CYS HB2 2.786 . 3.756 2.953 2.553 3.029 . 0 0 "[ . 1 . 2]" 1
110 1 3 CYS HA 1 3 CYS HB2 2.815 . 3.806 3.021 3.001 3.028 . 0 0 "[ . 1 . 2]" 1
111 1 20 CYS HA 1 20 CYS HB3 2.847 . 3.860 2.586 2.461 3.019 . 0 0 "[ . 1 . 2]" 1
112 1 9 TYR HA 1 9 TYR HB3 2.406 . 3.130 2.534 2.417 2.709 . 0 0 "[ . 1 . 2]" 1
113 1 5 ASN HA 1 5 ASN HB3 2.796 . 3.773 2.660 2.342 3.027 . 0 0 "[ . 1 . 2]" 1
114 1 16 CYS HA 1 16 CYS HB3 2.464 . 3.223 2.564 2.437 3.014 . 0 0 "[ . 1 . 2]" 1
115 1 3 CYS HA 1 3 CYS HB3 2.497 . 3.276 2.447 2.339 2.513 . 0 0 "[ . 1 . 2]" 1
116 1 5 ASN HA 1 5 ASN HB2 2.516 . 3.308 2.578 2.345 3.030 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS HA 1 7 CYS HB3 2.498 . 3.278 2.464 2.358 2.697 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR HA 1 14 ARG HA 2.386 . 3.098 2.458 2.171 2.646 . 0 0 "[ . 1 . 2]" 1
119 1 3 CYS HA 1 20 CYS HA 2.175 . 2.766 2.047 1.842 2.170 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL HA 1 8 VAL HB 2.437 . 3.180 2.476 2.423 2.517 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL HA 1 13 VAL HB 2.810 . 3.797 2.537 2.422 3.013 . 0 0 "[ . 1 . 2]" 1
122 1 15 VAL HA 1 15 VAL HB 2.823 . 3.819 2.936 2.402 3.028 . 0 0 "[ . 1 . 2]" 1
123 1 10 ARG HA 1 10 ARG HB3 2.672 . 3.565 2.864 2.441 3.031 . 0 0 "[ . 1 . 2]" 1
124 1 6 VAL HA 1 6 VAL HB 2.809 . 3.795 2.509 2.458 3.018 . 0 0 "[ . 1 . 2]" 1
125 1 14 ARG HA 1 14 ARG HB3 2.930 . 4.003 3.023 3.017 3.029 . 0 0 "[ . 1 . 2]" 1
126 1 10 ARG HA 1 10 ARG HB2 2.507 . 3.293 2.651 2.456 3.027 . 0 0 "[ . 1 . 2]" 1
127 1 10 ARG HA 1 10 ARG HG2 3.062 . 4.234 3.157 2.424 3.799 . 0 0 "[ . 1 . 2]" 1
128 1 14 ARG HA 1 14 ARG HB2 2.530 . 3.330 2.462 2.391 2.544 . 0 0 "[ . 1 . 2]" 1
129 1 19 ARG HA 1 19 ARG HG2 2.867 . 3.894 2.939 2.429 3.326 . 0 0 "[ . 1 . 2]" 1
130 1 14 ARG HA 1 14 ARG HG2 2.799 . 3.778 3.143 2.966 3.288 . 0 0 "[ . 1 . 2]" 1
131 1 19 ARG HA 1 19 ARG HG3 3.006 . 4.135 2.662 2.436 3.220 . 0 0 "[ . 1 . 2]" 1
132 1 8 VAL HA 1 8 VAL MG1 2.450 . 3.200 2.340 2.302 2.410 . 0 0 "[ . 1 . 2]" 1
133 1 14 ARG HA 1 14 ARG HG3 2.482 . 3.252 2.577 2.493 2.709 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL HA 1 15 VAL QG 2.379 . 3.086 2.159 2.123 2.354 . 0 0 "[ . 1 . 2]" 1
135 1 8 VAL HA 1 8 VAL MG2 2.771 . 3.731 3.212 3.201 3.217 . 0 0 "[ . 1 . 2]" 1
136 1 11 ASN HA 1 11 ASN HB2 2.486 . 3.259 2.898 2.513 3.027 . 0 0 "[ . 1 . 2]" 1
137 1 11 ASN HA 1 11 ASN HB3 2.770 . 3.729 2.637 2.426 3.025 . 0 0 "[ . 1 . 2]" 1
138 1 14 ARG HB3 1 14 ARG QD 2.611 . 3.463 2.657 2.298 3.038 . 0 0 "[ . 1 . 2]" 1
139 1 18 ARG HB3 1 18 ARG HD2 2.593 . 3.433 3.108 2.427 3.786 0.353 6 0 "[ . 1 . 2]" 1
140 1 10 ARG HB2 1 10 ARG HD2 2.776 . 3.740 3.225 2.394 3.731 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG HD2 1 10 ARG HG2 2.976 . 4.083 2.642 2.364 3.017 . 0 0 "[ . 1 . 2]" 1
142 1 18 ARG HD2 1 18 ARG HG2 2.546 . 3.356 2.708 2.416 3.015 . 0 0 "[ . 1 . 2]" 1
143 1 3 CYS HB3 1 18 ARG HG2 2.616 . 3.471 2.720 2.343 3.316 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG HB2 1 14 ARG QD 2.520 . 3.314 2.425 2.338 2.801 . 0 0 "[ . 1 . 2]" 1
145 1 19 ARG QD 1 19 ARG HG2 2.651 . 3.530 2.293 2.165 2.398 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG QD 1 14 ARG HG2 2.563 . 3.384 2.356 2.167 2.409 . 0 0 "[ . 1 . 2]" 1
147 1 19 ARG QD 1 19 ARG HG3 2.652 . 3.531 2.323 2.172 2.388 . 0 0 "[ . 1 . 2]" 1
148 1 19 ARG HB2 1 19 ARG QD 2.529 . 3.329 2.542 2.275 3.076 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG QD 1 14 ARG HG3 2.525 . 3.322 2.242 2.168 2.410 . 0 0 "[ . 1 . 2]" 1
150 1 19 ARG HB3 1 19 ARG QD 3.022 . 4.163 2.471 2.310 2.974 . 0 0 "[ . 1 . 2]" 1
151 1 7 CYS HB3 1 14 ARG HG2 2.799 . 3.778 2.457 2.038 3.188 . 0 0 "[ . 1 . 2]" 1
152 1 8 VAL HB 1 8 VAL MG1 2.203 . 2.810 2.126 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
153 1 7 CYS HB3 1 14 ARG HG3 2.689 . 3.593 2.446 2.071 3.072 . 0 0 "[ . 1 . 2]" 1
154 1 8 VAL HB 1 8 VAL MG2 2.416 . 3.146 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
155 1 6 VAL HB 1 6 VAL QG 2.078 . 2.618 1.892 1.888 1.894 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG HB3 1 14 ARG HG3 2.760 . 3.712 3.010 3.006 3.013 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL HB 1 13 VAL QG 2.068 . 2.602 1.890 1.887 1.892 . 0 0 "[ . 1 . 2]" 1
158 1 10 ARG HB2 1 15 VAL QG 3.084 . 4.273 2.700 2.178 3.539 . 0 0 "[ . 1 . 2]" 1
159 1 19 ARG HB2 1 19 ARG HG2 2.302 . 2.964 3.004 2.995 3.011 0.047 3 0 "[ . 1 . 2]" 1
160 1 19 ARG HB3 1 19 ARG HG2 2.807 . 3.792 2.419 2.342 2.537 . 0 0 "[ . 1 . 2]" 1
161 1 19 ARG HB3 1 19 ARG HG3 2.714 . 3.635 3.006 2.998 3.012 . 0 0 "[ . 1 . 2]" 1
162 1 10 ARG HB3 1 10 ARG HG2 2.476 . 3.242 2.455 2.268 3.011 . 0 0 "[ . 1 . 2]" 1
163 1 18 ARG HB3 1 18 ARG HG2 2.067 . 2.601 2.444 2.379 2.514 . 0 0 "[ . 1 . 2]" 1
164 1 14 ARG HB3 1 14 ARG HG2 2.454 . 3.207 2.433 2.385 2.490 . 0 0 "[ . 1 . 2]" 1
165 1 7 CYS HA 1 8 VAL MG1 3.072 . 4.251 3.867 3.715 4.062 . 0 0 "[ . 1 . 2]" 1
166 1 4 TRP H 1 4 TRP HB3 3.281 . 4.626 3.257 3.107 3.377 . 0 0 "[ . 1 . 2]" 1
167 1 4 TRP H 1 4 TRP HB2 3.302 . 4.665 3.884 3.808 3.941 . 0 0 "[ . 1 . 2]" 1
168 1 4 TRP HE1 1 19 ARG QD 3.301 . 4.663 3.182 2.467 4.105 . 0 0 "[ . 1 . 2]" 1
169 1 3 CYS HB2 1 4 TRP H 3.473 . 4.980 4.003 3.613 4.287 . 0 0 "[ . 1 . 2]" 1
170 1 7 CYS H 1 7 CYS HB3 3.146 . 4.383 3.744 3.498 3.833 . 0 0 "[ . 1 . 2]" 1
171 1 9 TYR HB3 1 10 ARG H 3.282 . 4.629 3.486 3.170 3.814 . 0 0 "[ . 1 . 2]" 1
172 1 20 CYS HB3 1 21 ASN H 3.373 . 4.795 3.346 2.680 4.226 . 0 0 "[ . 1 . 2]" 1
173 1 9 TYR HB3 1 12 GLY H 3.339 . 4.732 3.521 2.860 4.118 . 0 0 "[ . 1 . 2]" 1
174 1 3 CYS H 1 3 CYS HB3 3.284 . 4.632 3.792 3.711 3.921 . 0 0 "[ . 1 . 2]" 1
175 1 8 VAL H 1 8 VAL HB 3.300 . 4.661 3.752 3.674 3.844 . 0 0 "[ . 1 . 2]" 1
176 1 12 GLY HA2 1 13 VAL H 3.207 . 4.492 3.387 3.113 3.476 . 0 0 "[ . 1 . 2]" 1
177 1 19 ARG HB3 1 20 CYS H 3.258 . 4.585 3.626 2.502 4.287 . 0 0 "[ . 1 . 2]" 1
178 1 5 ASN HB3 1 5 ASN HD22 3.401 . 4.847 3.753 3.462 4.062 . 0 0 "[ . 1 . 2]" 1
179 1 21 ASN HB3 1 21 ASN HD21 3.459 . 4.954 2.699 2.193 3.515 . 0 0 "[ . 1 . 2]" 1
180 1 11 ASN HB3 1 11 ASN HD22 3.873 . 5.748 3.639 3.470 4.066 . 0 0 "[ . 1 . 2]" 1
181 1 19 ARG HG2 1 20 CYS H 3.679 . 5.371 3.153 2.194 4.259 . 0 0 "[ . 1 . 2]" 1
182 1 19 ARG HG3 1 20 CYS H 3.536 . 5.099 3.502 2.598 4.988 . 0 0 "[ . 1 . 2]" 1
183 1 4 TRP H 1 18 ARG HG2 3.690 . 5.392 3.837 3.311 4.360 . 0 0 "[ . 1 . 2]" 1
184 1 14 ARG HG2 1 15 VAL H 3.486 . 5.005 3.660 3.115 3.950 . 0 0 "[ . 1 . 2]" 1
185 1 4 TRP H 1 19 ARG HB2 3.635 . 5.287 4.800 3.763 5.360 0.073 10 0 "[ . 1 . 2]" 1
186 1 4 TRP HE1 1 19 ARG HB3 3.614 . 5.247 3.666 2.784 5.087 . 0 0 "[ . 1 . 2]" 1
187 1 10 ARG HB3 1 11 ASN H 3.528 . 5.084 4.115 3.302 4.446 . 0 0 "[ . 1 . 2]" 1
188 1 10 ARG HB2 1 11 ASN H 3.544 . 5.114 4.413 4.222 4.580 . 0 0 "[ . 1 . 2]" 1
189 1 10 ARG HG2 1 11 ASN H 3.740 . 5.488 4.337 3.213 5.182 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL HB 1 16 CYS H 3.437 . 4.914 4.212 2.849 4.448 . 0 0 "[ . 1 . 2]" 1
191 1 8 VAL H 1 15 VAL HB 3.526 . 5.080 3.711 3.134 5.156 0.076 9 0 "[ . 1 . 2]" 1
192 1 10 ARG H 1 13 VAL HB 3.478 . 4.990 4.980 3.725 5.094 0.104 18 0 "[ . 1 . 2]" 1
193 1 7 CYS HB3 1 15 VAL H 3.708 . 5.427 4.470 3.994 5.004 . 0 0 "[ . 1 . 2]" 1
194 1 18 ARG HB3 1 19 ARG H 3.508 . 5.047 4.327 4.152 4.456 . 0 0 "[ . 1 . 2]" 1
195 1 5 ASN HB2 1 5 ASN HD21 3.811 . 5.626 2.733 2.189 3.476 . 0 0 "[ . 1 . 2]" 1
196 1 4 TRP HE3 1 21 ASN H 3.492 . 5.016 4.082 3.496 4.586 . 0 0 "[ . 1 . 2]" 1
197 1 4 TRP HD1 1 19 ARG H 3.556 . 5.137 4.447 4.123 4.714 . 0 0 "[ . 1 . 2]" 1
198 1 4 TRP HD1 1 5 ASN H 3.384 . 4.815 4.077 3.660 4.420 . 0 0 "[ . 1 . 2]" 1
199 1 4 TRP H 1 4 TRP HD1 3.767 . 5.541 4.585 4.424 4.762 . 0 0 "[ . 1 . 2]" 1
200 1 4 TRP H 1 4 TRP HZ3 3.734 . 5.477 4.549 4.241 4.944 . 0 0 "[ . 1 . 2]" 1
201 1 9 TYR QD 1 15 VAL H 3.523 . 5.074 4.689 4.249 5.148 0.074 4 0 "[ . 1 . 2]" 1
202 1 9 TYR QD 1 10 ARG H 3.311 . 4.681 4.082 3.695 4.430 . 0 0 "[ . 1 . 2]" 1
203 1 9 TYR QD 1 14 ARG H 3.366 . 4.782 3.880 3.552 4.453 . 0 0 "[ . 1 . 2]" 1
204 1 9 TYR QD 1 12 GLY H 3.470 . 4.975 4.639 3.687 5.020 0.045 16 0 "[ . 1 . 2]" 1
205 1 4 TRP H 1 5 ASN H 3.417 . 4.876 4.362 4.283 4.426 . 0 0 "[ . 1 . 2]" 1
206 1 9 TYR H 1 10 ARG H 3.388 . 4.822 4.326 4.139 4.499 . 0 0 "[ . 1 . 2]" 1
207 1 10 ARG H 1 12 GLY H 3.465 . 4.966 3.791 3.535 4.177 . 0 0 "[ . 1 . 2]" 1
208 1 15 VAL H 1 16 CYS H 3.278 . 4.622 4.224 4.099 4.539 . 0 0 "[ . 1 . 2]" 1
209 1 10 ARG H 1 11 ASN H 3.684 . 5.380 4.082 3.865 4.307 . 0 0 "[ . 1 . 2]" 1
210 1 2 PHE QD 1 3 CYS H 3.802 . 5.609 3.857 3.137 4.484 . 0 0 "[ . 1 . 2]" 1
211 1 3 CYS H 1 4 TRP HE3 3.800 . 5.605 4.000 3.320 4.421 . 0 0 "[ . 1 . 2]" 1
212 1 2 PHE H 1 3 CYS H 3.606 . 5.232 4.474 4.384 4.621 . 0 0 "[ . 1 . 2]" 1
213 1 13 VAL H 1 14 ARG H 3.798 . 5.601 4.509 4.388 4.564 . 0 0 "[ . 1 . 2]" 1
214 1 4 TRP HH2 1 21 ASN HD21 3.495 . 5.022 3.445 1.812 4.918 0.156 7 0 "[ . 1 . 2]" 1
215 1 9 TYR QD 1 13 VAL H 3.410 . 4.864 4.340 3.562 4.849 . 0 0 "[ . 1 . 2]" 1
216 1 4 TRP HZ3 1 21 ASN HD21 3.266 . 4.599 3.869 2.812 4.613 0.014 9 0 "[ . 1 . 2]" 1
217 1 7 CYS HA 1 17 HIS H 2.821 . 3.815 3.390 2.968 3.641 . 0 0 "[ . 1 . 2]" 1
218 1 8 VAL H 1 16 CYS HA 2.801 . 3.782 3.344 2.996 3.783 0.001 2 0 "[ . 1 . 2]" 1
219 1 11 ASN H 1 11 ASN HB3 3.437 . 4.914 3.994 3.639 4.128 . 0 0 "[ . 1 . 2]" 1
220 1 11 ASN H 1 11 ASN HB2 3.647 . 5.310 3.445 3.087 3.647 . 0 0 "[ . 1 . 2]" 1
221 1 4 TRP HZ2 1 19 ARG HB2 3.213 . 4.504 4.033 2.544 4.569 0.065 19 0 "[ . 1 . 2]" 1
222 1 4 TRP HZ2 1 19 ARG HB3 3.599 . 5.218 3.290 2.963 3.520 . 0 0 "[ . 1 . 2]" 1
223 1 4 TRP HZ2 1 19 ARG HG3 3.624 . 5.266 4.622 3.983 5.068 . 0 0 "[ . 1 . 2]" 1
224 1 19 ARG HE 1 19 ARG HG3 3.294 . 4.650 2.648 2.376 3.605 . 0 0 "[ . 1 . 2]" 1
225 1 14 ARG HE 1 14 ARG HG2 3.682 . 5.377 2.605 2.325 3.616 . 0 0 "[ . 1 . 2]" 1
226 1 4 TRP HH2 1 19 ARG HG3 3.748 . 5.504 5.369 4.925 6.258 0.754 14 3 "[ . -1 * +. 2]" 1
227 1 14 ARG HB3 1 14 ARG HE 3.679 . 5.371 3.157 2.010 4.576 . 0 0 "[ . 1 . 2]" 1
228 1 18 ARG HE 1 18 ARG HG2 3.492 . 5.016 2.906 2.340 3.679 . 0 0 "[ . 1 . 2]" 1
229 1 19 ARG HE 1 19 ARG HG2 3.530 . 5.087 2.933 2.366 3.617 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL QG 1 17 HIS HD2 3.262 . 4.592 3.610 1.905 4.624 0.032 12 0 "[ . 1 . 2]" 1
231 1 19 ARG HB3 1 19 ARG HE 3.459 . 4.954 3.858 2.029 4.550 . 0 0 "[ . 1 . 2]" 1
232 1 19 ARG HB2 1 19 ARG HE 3.124 . 4.344 3.542 2.064 4.486 0.142 12 0 "[ . 1 . 2]" 1
233 1 14 ARG HE 1 14 ARG HG3 3.517 . 5.063 3.244 2.379 3.661 . 0 0 "[ . 1 . 2]" 1
234 1 4 TRP HH2 1 19 ARG HB3 3.634 . 5.284 4.115 3.331 4.762 . 0 0 "[ . 1 . 2]" 1
235 1 9 TYR QD 1 13 VAL QG 3.445 . 4.928 4.475 4.311 4.615 . 0 0 "[ . 1 . 2]" 1
236 1 9 TYR QE 1 14 ARG HG3 3.333 . 4.721 3.517 2.851 4.211 . 0 0 "[ . 1 . 2]" 1
237 1 9 TYR QD 1 14 ARG HB2 3.362 . 4.775 3.282 2.431 3.990 . 0 0 "[ . 1 . 2]" 1
238 1 5 ASN HA 1 6 VAL QG 3.202 . 4.484 3.692 3.332 3.844 . 0 0 "[ . 1 . 2]" 1
239 1 9 TYR HA 1 13 VAL QG 3.277 . 4.619 4.062 3.847 4.496 . 0 0 "[ . 1 . 2]" 1
240 1 8 VAL MG2 1 9 TYR HA 3.520 . 5.069 3.986 3.555 4.227 . 0 0 "[ . 1 . 2]" 1
241 1 7 CYS HA 1 8 VAL MG2 3.254 . 4.578 3.698 3.546 3.877 . 0 0 "[ . 1 . 2]" 1
242 1 15 VAL QG 1 16 CYS HA 3.384 . 4.816 3.874 3.621 4.048 . 0 0 "[ . 1 . 2]" 1
243 1 3 CYS HB3 1 20 CYS HA 3.296 . 4.654 3.685 3.312 4.125 . 0 0 "[ . 1 . 2]" 1
244 1 4 TRP HD1 1 6 VAL HA 3.848 . 5.699 4.114 3.532 4.895 . 0 0 "[ . 1 . 2]" 1
245 1 9 TYR QD 1 14 ARG HA 3.199 . 4.478 3.045 2.504 3.599 . 0 0 "[ . 1 . 2]" 1
246 1 9 TYR QD 1 12 GLY HA2 3.376 . 4.801 4.128 3.040 4.756 . 0 0 "[ . 1 . 2]" 1
247 1 3 CYS HA 1 4 TRP HZ3 3.420 . 4.882 3.897 3.557 4.085 . 0 0 "[ . 1 . 2]" 1
248 1 4 TRP HE3 1 20 CYS HA 3.212 . 4.502 3.924 3.412 4.509 0.007 19 0 "[ . 1 . 2]" 1
249 1 4 TRP HZ3 1 20 CYS HA 3.114 . 4.326 3.580 3.050 4.210 . 0 0 "[ . 1 . 2]" 1
250 1 2 PHE HA 1 2 PHE QD 3.525 . 5.079 2.936 2.489 3.726 . 0 0 "[ . 1 . 2]" 1
251 1 10 ARG HB3 1 10 ARG HD2 3.160 . 4.409 3.387 2.403 3.788 . 0 0 "[ . 1 . 2]" 1
252 1 7 CYS HB3 1 14 ARG HB2 3.407 . 4.858 4.757 4.480 5.218 0.360 1 0 "[ . 1 . 2]" 1
253 1 3 CYS HB2 1 18 ARG HG2 3.161 . 4.410 4.283 3.750 4.986 0.576 15 1 "[ . 1 + 2]" 1
254 1 2 PHE HB2 1 4 TRP HZ3 3.408 . 4.860 3.720 2.252 5.517 0.657 12 1 "[ . 1 + . 2]" 1
255 1 4 TRP HH2 1 19 ARG QD 3.441 . 4.921 3.697 2.738 4.633 . 0 0 "[ . 1 . 2]" 1
256 1 9 TYR QD 1 14 ARG QD 3.499 . 5.030 4.607 3.916 4.841 . 0 0 "[ . 1 . 2]" 1
257 1 9 TYR HA 1 15 VAL H 3.132 . 4.358 3.009 2.781 3.462 . 0 0 "[ . 1 . 2]" 1
258 1 20 CYS H 1 21 ASN H 3.290 . 4.643 4.298 4.046 4.457 . 0 0 "[ . 1 . 2]" 1
259 1 3 CYS HB3 1 4 TRP HE3 3.545 . 5.116 5.062 4.757 5.201 0.085 4 0 "[ . 1 . 2]" 1
260 1 6 VAL H 1 17 HIS H 3.048 . 4.209 3.108 2.847 3.492 . 0 0 "[ . 1 . 2]" 1
261 1 7 CYS HA 1 16 CYS HA 2.010 . 2.515 1.938 1.798 2.232 . 0 0 "[ . 1 . 2]" 1
262 1 18 ARG H 1 18 ARG HG2 3.401 . 4.847 4.409 4.263 4.563 . 0 0 "[ . 1 . 2]" 1
263 1 12 GLY HA3 1 13 VAL H 3.443 . 4.925 3.195 3.067 3.438 . 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 9
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 7.292
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_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 PHE 0.165 0.073 14 0 "[ . 1 . 2]"
1 4 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.025 0.025 15 0 "[ . 1 . 2]"
1 8 VAL 0.126 0.033 14 0 "[ . 1 . 2]"
1 10 ARG 0.049 0.034 10 0 "[ . 1 . 2]"
1 13 VAL 0.049 0.034 10 0 "[ . 1 . 2]"
1 15 VAL 0.126 0.033 14 0 "[ . 1 . 2]"
1 17 HIS 0.025 0.025 15 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.165 0.073 14 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 PHE H 1 21 ASN O 2.200 . 2.700 2.136 1.727 2.773 0.073 14 0 "[ . 1 . 2]" 2
2 1 2 PHE O 1 21 ASN H 2.200 . 2.700 1.807 1.702 2.045 0.028 5 0 "[ . 1 . 2]" 2
3 1 4 TRP H 1 19 ARG O 2.200 . 2.700 1.922 1.758 2.131 . 0 0 "[ . 1 . 2]" 2
4 1 4 TRP O 1 19 ARG H 2.200 . 2.700 1.957 1.776 2.381 . 0 0 "[ . 1 . 2]" 2
5 1 6 VAL H 1 17 HIS O 2.200 . 2.700 2.026 1.772 2.339 . 0 0 "[ . 1 . 2]" 2
6 1 6 VAL O 1 17 HIS H 2.200 . 2.700 1.892 1.705 2.182 0.025 15 0 "[ . 1 . 2]" 2
7 1 8 VAL H 1 15 VAL O 2.200 . 2.700 1.944 1.790 2.192 . 0 0 "[ . 1 . 2]" 2
8 1 8 VAL O 1 15 VAL H 2.200 . 2.700 1.766 1.697 1.935 0.033 14 0 "[ . 1 . 2]" 2
9 1 10 ARG H 1 13 VAL O 2.200 . 2.700 1.859 1.696 2.093 0.034 10 0 "[ . 1 . 2]" 2
stop_
save_
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