NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370015 |
1bku   |
4219 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bku
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 121
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 172.695
_Distance_constraint_stats_list.Viol_max 1.192
_Distance_constraint_stats_list.Viol_rms 0.0863
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.2503
_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 0.048 0.033 3 0 "[ . 1]"
1 3 ASN 0.197 0.197 4 0 "[ . 1]"
1 4 LEU 1.324 0.658 1 1 "[+ . 1]"
1 5 SER 4.127 1.192 7 3 "[* - + 1]"
1 6 THR 1.012 0.442 4 0 "[ . 1]"
1 7 CYS 0.063 0.033 3 0 "[ . 1]"
1 8 VAL 3.475 1.192 7 2 "[ - + 1]"
1 9 LEU 1.470 0.599 3 1 "[ + . 1]"
1 10 GLY 0.000 0.000 . 0 "[ . 1]"
1 11 LYS 0.190 0.069 10 0 "[ . 1]"
1 12 LEU 1.885 0.636 8 3 "[- . +*1]"
1 13 SER 1.885 0.636 8 3 "[- . +*1]"
1 14 GLN 0.495 0.230 3 0 "[ . 1]"
1 15 GLU 0.065 0.041 10 0 "[ . 1]"
1 16 LEU 1.068 0.570 1 1 "[+ . 1]"
1 17 HIS 0.579 0.274 5 0 "[ . 1]"
1 18 LYS 0.065 0.041 10 0 "[ . 1]"
1 19 LEU 5.712 0.950 2 3 "[ +- . *]"
1 20 GLN 2.905 0.466 9 0 "[ . 1]"
1 21 THR 1.041 0.466 9 0 "[ . 1]"
1 22 TYR 4.199 0.950 2 3 "[ +* . *]"
1 23 PRO 0.574 0.574 2 1 "[ + . 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 8 VAL H 1 9 LEU H . . 3.800 2.793 2.709 2.871 . 0 0 "[ . 1]" 1
2 1 7 CYS H 1 8 VAL H . . 2.900 2.784 2.699 2.915 0.015 5 0 "[ . 1]" 1
3 1 3 ASN H 1 4 LEU H . . 5.000 4.001 2.232 4.661 . 0 0 "[ . 1]" 1
4 1 4 LEU H 1 5 SER H . . 3.800 3.264 1.880 3.895 0.095 4 0 "[ . 1]" 1
5 1 12 LEU H 1 13 SER H . . 3.800 2.740 2.705 2.805 . 0 0 "[ . 1]" 1
6 1 6 THR H 1 7 CYS H . . 3.800 2.608 2.518 2.760 . 0 0 "[ . 1]" 1
7 1 13 SER H 1 14 GLN H . . 3.800 2.744 2.693 2.797 . 0 0 "[ . 1]" 1
8 1 11 LYS H 1 12 LEU H . . 3.800 2.861 2.705 2.969 . 0 0 "[ . 1]" 1
9 1 10 GLY H 1 11 LYS H . . 3.800 2.780 2.739 2.819 . 0 0 "[ . 1]" 1
10 1 16 LEU H 1 17 HIS H . . 3.800 2.770 2.710 2.882 . 0 0 "[ . 1]" 1
11 1 15 GLU H 1 16 LEU H . . 3.800 2.837 2.721 2.964 . 0 0 "[ . 1]" 1
12 1 14 GLN H 1 15 GLU H . . 3.800 2.746 2.653 2.879 . 0 0 "[ . 1]" 1
13 1 17 HIS H 1 18 LYS H . . 3.800 2.615 1.814 2.845 . 0 0 "[ . 1]" 1
14 1 20 GLN H 1 21 THR H . . 3.800 3.341 2.323 4.266 0.466 9 0 "[ . 1]" 1
15 1 21 THR H 1 22 TYR H . . 3.800 2.787 2.041 3.678 . 0 0 "[ . 1]" 1
16 1 5 SER H 1 6 THR H . . 3.800 2.527 2.156 4.242 0.442 4 0 "[ . 1]" 1
17 1 9 LEU H 1 10 GLY H . . 3.800 2.752 2.689 2.793 . 0 0 "[ . 1]" 1
18 1 8 VAL HA 1 9 LEU H . . 3.800 3.603 3.590 3.616 . 0 0 "[ . 1]" 1
19 1 8 VAL HA 1 11 LYS H . . 3.800 3.453 3.204 3.627 . 0 0 "[ . 1]" 1
20 1 10 GLY HA2 1 11 LYS H . . 3.800 3.602 3.592 3.613 . 0 0 "[ . 1]" 1
21 1 10 GLY HA3 1 11 LYS H . . 3.800 2.759 2.708 2.831 . 0 0 "[ . 1]" 1
22 1 20 GLN HA 1 21 THR H . . 3.800 3.586 3.515 3.611 . 0 0 "[ . 1]" 1
23 1 21 THR H 1 21 THR HB . . 3.800 2.858 2.338 3.634 . 0 0 "[ . 1]" 1
24 1 19 LEU HA 1 22 TYR H . . 3.800 4.138 3.563 4.750 0.950 2 3 "[ +- . *]" 1
25 1 21 THR HB 1 22 TYR H . . 6.000 3.215 2.237 4.584 . 0 0 "[ . 1]" 1
26 1 21 THR HA 1 22 TYR H . . 3.800 3.321 2.404 3.603 . 0 0 "[ . 1]" 1
27 1 9 LEU H 1 9 LEU HA . . 2.900 2.833 2.807 2.860 . 0 0 "[ . 1]" 1
28 1 10 GLY H 1 10 GLY HA3 . . 2.900 2.269 2.265 2.274 . 0 0 "[ . 1]" 1
29 1 6 THR H 1 6 THR HB . . 3.800 2.582 2.438 3.570 . 0 0 "[ . 1]" 1
30 1 5 SER QB 1 6 THR H . . 4.800 2.428 2.001 3.082 . 0 0 "[ . 1]" 1
31 1 5 SER HA 1 6 THR H . . 3.800 3.599 3.536 3.614 . 0 0 "[ . 1]" 1
32 1 12 LEU HA 1 15 GLU H . . 3.800 3.369 3.237 3.602 . 0 0 "[ . 1]" 1
33 1 14 GLN HA 1 15 GLU H . . 3.800 3.595 3.580 3.607 . 0 0 "[ . 1]" 1
34 1 14 GLN HA 1 17 HIS H . . 3.800 3.721 3.414 4.030 0.230 3 0 "[ . 1]" 1
35 1 6 THR HA 1 10 GLY H . . 5.000 3.981 3.677 4.276 . 0 0 "[ . 1]" 1
36 1 6 THR HA 1 9 LEU H . . 3.800 3.795 3.617 4.026 0.226 5 0 "[ . 1]" 1
37 1 6 THR HA 1 7 CYS H . . 3.800 3.585 3.552 3.616 . 0 0 "[ . 1]" 1
38 1 5 SER HA 1 8 VAL H . . 3.800 3.681 3.347 3.975 0.175 4 0 "[ . 1]" 1
39 1 16 LEU H 1 16 LEU HA . . 2.900 2.836 2.804 2.886 . 0 0 "[ . 1]" 1
40 1 12 LEU H 1 12 LEU HA . . 2.900 2.844 2.833 2.856 . 0 0 "[ . 1]" 1
41 1 4 LEU HA 1 5 SER H . . 2.900 2.696 2.364 3.558 0.658 1 1 "[+ . 1]" 1
42 1 4 LEU HA 1 8 VAL H . . 3.800 3.277 2.705 3.801 0.001 1 0 "[ . 1]" 1
43 1 5 SER HA 1 7 CYS H . . 5.000 4.618 4.293 4.745 . 0 0 "[ . 1]" 1
44 1 6 THR HB 1 7 CYS H . . 3.800 2.706 2.512 3.559 . 0 0 "[ . 1]" 1
45 1 11 LYS HA 1 12 LEU H . . 3.800 3.626 3.594 3.641 . 0 0 "[ . 1]" 1
46 1 15 GLU HA 1 16 LEU H . . 3.800 3.613 3.597 3.643 . 0 0 "[ . 1]" 1
47 1 19 LEU HA 1 20 GLN H . . 3.800 3.523 3.390 3.584 . 0 0 "[ . 1]" 1
48 1 13 SER QB 1 14 GLN H . . 4.800 2.591 2.398 3.447 . 0 0 "[ . 1]" 1
49 1 16 LEU HA 1 19 LEU H . . 3.800 3.799 3.657 4.058 0.258 5 0 "[ . 1]" 1
50 1 14 GLN H 1 14 GLN HA . . 2.900 2.832 2.786 2.875 . 0 0 "[ . 1]" 1
51 1 18 LYS H 1 18 LYS HA . . 2.900 2.810 2.778 2.846 . 0 0 "[ . 1]" 1
52 1 11 LYS HA 1 14 GLN H . . 3.800 3.760 3.545 3.869 0.069 10 0 "[ . 1]" 1
53 1 17 HIS HA 1 20 GLN H . . 5.000 4.176 3.535 5.274 0.274 5 0 "[ . 1]" 1
54 1 17 HIS HA 1 18 LYS H . . 3.800 3.585 3.537 3.606 . 0 0 "[ . 1]" 1
55 1 7 CYS HA 1 8 VAL H . . 3.800 3.610 3.595 3.632 . 0 0 "[ . 1]" 1
56 1 10 GLY HA2 1 13 SER H . . 5.000 3.888 3.709 3.993 . 0 0 "[ . 1]" 1
57 1 4 LEU H 1 4 LEU HA . . 2.900 2.864 2.248 2.959 0.059 4 0 "[ . 1]" 1
58 1 13 SER H 1 13 SER QB . . 3.900 2.302 2.236 2.486 . 0 0 "[ . 1]" 1
59 1 3 ASN HA 1 4 LEU H . . 3.800 2.609 2.159 3.606 . 0 0 "[ . 1]" 1
60 1 16 LEU HA 1 20 GLN H . . 5.000 3.931 3.069 4.815 . 0 0 "[ . 1]" 1
61 1 8 VAL HA 1 12 LEU H . . 5.000 4.036 3.904 4.165 . 0 0 "[ . 1]" 1
62 1 11 LYS HA 1 15 GLU H . . 5.000 4.125 4.016 4.201 . 0 0 "[ . 1]" 1
63 1 4 LEU HA 1 7 CYS QB . . 4.800 2.431 2.306 2.689 . 0 0 "[ . 1]" 1
64 1 14 GLN HA 1 17 HIS QB . . 3.800 2.715 2.399 3.091 . 0 0 "[ . 1]" 1
65 1 1 CYS HA 1 7 CYS QB . . 3.800 2.881 2.307 3.833 0.033 3 0 "[ . 1]" 1
66 1 22 TYR QB 1 23 PRO QD . . 6.000 3.110 2.075 3.889 . 0 0 "[ . 1]" 1
67 1 19 LEU HA 1 22 TYR QB . . 6.000 4.474 2.330 5.745 . 0 0 "[ . 1]" 1
68 1 22 TYR H 1 23 PRO QD . . 3.800 2.669 1.845 4.374 0.574 2 1 "[ + . 1]" 1
69 1 22 TYR QD 1 23 PRO QD . . 6.000 3.825 2.884 4.757 . 0 0 "[ . 1]" 1
70 1 8 VAL HA 1 11 LYS QB . . 3.800 2.685 2.521 2.831 . 0 0 "[ . 1]" 1
71 1 5 SER HA 1 8 VAL HB . . 3.800 3.311 2.442 4.992 1.192 7 2 "[ - + 1]" 1
72 1 11 LYS HA 1 14 GLN QG . . 6.000 4.393 3.988 4.949 . 0 0 "[ . 1]" 1
73 1 11 LYS HA 1 14 GLN QB . . 3.800 2.847 2.479 3.113 . 0 0 "[ . 1]" 1
74 1 15 GLU HA 1 18 LYS QB . . 4.800 2.714 2.400 3.043 . 0 0 "[ . 1]" 1
75 1 12 LEU HA 1 15 GLU QB . . 3.800 2.479 2.307 2.793 . 0 0 "[ . 1]" 1
76 1 6 THR HA 1 9 LEU QB . . 3.900 2.842 2.531 3.151 . 0 0 "[ . 1]" 1
77 1 19 LEU HA 1 19 LEU HG . . 3.800 3.449 2.969 3.715 . 0 0 "[ . 1]" 1
78 1 18 LYS HA 1 18 LYS QG . . 3.800 2.520 2.218 3.100 . 0 0 "[ . 1]" 1
79 1 17 HIS HA 1 20 GLN QB . . 3.800 2.759 2.355 3.166 . 0 0 "[ . 1]" 1
80 1 17 HIS QB 1 18 LYS H . . 4.800 2.598 2.394 2.838 . 0 0 "[ . 1]" 1
81 1 7 CYS QB 1 8 VAL H . . 4.800 2.462 2.352 2.616 . 0 0 "[ . 1]" 1
82 1 3 ASN QB 1 5 SER H . . 4.800 3.582 2.419 4.997 0.197 4 0 "[ . 1]" 1
83 1 15 GLU QG 1 16 LEU H . . 6.000 3.668 3.355 4.316 . 0 0 "[ . 1]" 1
84 1 8 VAL H 1 8 VAL HB . . 2.900 2.508 2.334 3.597 0.697 7 1 "[ . + 1]" 1
85 1 14 GLN H 1 14 GLN QG . . 4.800 3.508 2.351 4.022 . 0 0 "[ . 1]" 1
86 1 20 GLN H 1 20 GLN QG . . 4.800 3.984 3.401 4.128 . 0 0 "[ . 1]" 1
87 1 15 GLU H 1 15 GLU QG . . 4.800 3.795 2.323 4.026 . 0 0 "[ . 1]" 1
88 1 20 GLN QB 1 21 THR H . . 4.800 2.361 1.943 3.107 . 0 0 "[ . 1]" 1
89 1 21 THR H 1 21 THR MG . . 4.800 2.999 2.054 3.821 . 0 0 "[ . 1]" 1
90 1 21 THR MG 1 22 TYR H . . 6.000 3.709 3.120 4.406 . 0 0 "[ . 1]" 1
91 1 20 GLN H 1 20 GLN QB . . 3.900 2.583 2.214 3.022 . 0 0 "[ . 1]" 1
92 1 14 GLN QB 1 15 GLU H . . 4.800 2.590 2.481 2.724 . 0 0 "[ . 1]" 1
93 1 16 LEU H 1 16 LEU QB . . 3.900 2.369 2.151 2.601 . 0 0 "[ . 1]" 1
94 1 16 LEU H 1 16 LEU HG . . 3.800 2.549 2.099 4.370 0.570 1 1 "[+ . 1]" 1
95 1 16 LEU QB 1 17 HIS H . . 4.800 3.045 2.495 4.045 . 0 0 "[ . 1]" 1
96 1 6 THR H 1 6 THR MG . . 4.800 3.599 2.282 3.755 . 0 0 "[ . 1]" 1
97 1 15 GLU QB 1 16 LEU H . . 4.800 2.438 2.323 2.530 . 0 0 "[ . 1]" 1
98 1 8 VAL HB 1 9 LEU H . . 3.800 2.938 2.446 3.987 0.187 5 0 "[ . 1]" 1
99 1 6 THR MG 1 7 CYS H . . 6.000 3.605 3.458 3.904 . 0 0 "[ . 1]" 1
100 1 4 LEU H 1 4 LEU QB . . 3.900 2.680 2.349 3.386 . 0 0 "[ . 1]" 1
101 1 4 LEU H 1 4 LEU HG . . 3.800 2.658 2.299 3.635 . 0 0 "[ . 1]" 1
102 1 12 LEU HG 1 13 SER H . . 3.800 3.042 2.416 4.436 0.636 8 3 "[- . +*1]" 1
103 1 12 LEU QB 1 13 SER H . . 4.800 3.289 2.386 3.665 . 0 0 "[ . 1]" 1
104 1 12 LEU H 1 12 LEU HG . . 2.900 2.292 2.252 2.337 . 0 0 "[ . 1]" 1
105 1 9 LEU H 1 9 LEU QB . . 3.900 2.325 2.171 2.364 . 0 0 "[ . 1]" 1
106 1 9 LEU H 1 9 LEU HG . . 3.800 2.576 2.254 4.399 0.599 3 1 "[ + . 1]" 1
107 1 11 LYS QB 1 12 LEU H . . 4.800 2.460 2.358 2.639 . 0 0 "[ . 1]" 1
108 1 9 LEU QB 1 10 GLY H . . 4.800 2.558 2.511 2.644 . 0 0 "[ . 1]" 1
109 1 18 LYS H 1 18 LYS QG . . 4.800 3.645 2.376 4.001 . 0 0 "[ . 1]" 1
110 1 18 LYS H 1 18 LYS QB . . 3.900 2.205 2.128 2.313 . 0 0 "[ . 1]" 1
111 1 19 LEU H 1 19 LEU QB . . 3.900 2.517 2.347 2.973 . 0 0 "[ . 1]" 1
112 1 19 LEU QB 1 20 GLN H . . 4.800 2.881 1.899 3.913 . 0 0 "[ . 1]" 1
113 1 19 LEU H 1 19 LEU HG . . 2.900 2.212 2.024 2.408 . 0 0 "[ . 1]" 1
114 1 19 LEU HG 1 20 GLN H . . 3.800 3.410 2.569 4.253 0.453 7 0 "[ . 1]" 1
115 1 12 LEU H 1 12 LEU MD1 . . 4.800 3.687 3.395 3.818 . 0 0 "[ . 1]" 1
116 1 12 LEU H 1 12 LEU MD2 . . 4.800 3.271 3.104 3.641 . 0 0 "[ . 1]" 1
117 1 3 ASN QB 1 4 LEU H . . 4.800 3.143 1.893 4.051 . 0 0 "[ . 1]" 1
118 1 8 VAL HA 1 10 GLY H . . 5.000 4.482 4.306 4.612 . 0 0 "[ . 1]" 1
119 1 15 GLU HA 1 18 LYS H . . 3.800 3.593 3.211 3.841 0.041 10 0 "[ . 1]" 1
120 1 11 LYS HA 1 11 LYS QE . . 5.000 4.156 2.427 4.530 . 0 0 "[ . 1]" 1
121 1 16 LEU HA 1 17 HIS H . . 3.800 3.548 3.208 3.600 . 0 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 8
_Distance_constraint_stats_list.Viol_total 10.224
_Distance_constraint_stats_list.Viol_max 0.271
_Distance_constraint_stats_list.Viol_rms 0.0319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.1278
_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 5 SER 0.110 0.070 2 0 "[ . 1]"
1 6 THR 0.017 0.017 5 0 "[ . 1]"
1 7 CYS 0.000 0.000 . 0 "[ . 1]"
1 8 VAL 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.110 0.070 2 0 "[ . 1]"
1 10 GLY 0.017 0.017 5 0 "[ . 1]"
1 11 LYS 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 GLN 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.896 0.271 10 0 "[ . 1]"
1 16 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 LYS 0.000 0.000 . 0 "[ . 1]"
1 19 LEU 0.896 0.271 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 15 GLU O 1 19 LEU N . 2.800 3.300 3.146 2.950 3.475 0.175 10 0 "[ . 1]" 2
2 1 14 GLN O 1 18 LYS N . 2.800 3.300 2.902 2.867 2.957 . 0 0 "[ . 1]" 2
3 1 12 LEU O 1 16 LEU N . 2.800 3.300 2.994 2.945 3.141 . 0 0 "[ . 1]" 2
4 1 11 LYS O 1 15 GLU N . 2.800 3.300 2.942 2.900 3.024 . 0 0 "[ . 1]" 2
5 1 10 GLY O 1 14 GLN N . 2.800 3.300 2.992 2.932 3.073 . 0 0 "[ . 1]" 2
6 1 9 LEU O 1 13 SER N . 2.800 3.300 3.021 2.955 3.116 . 0 0 "[ . 1]" 2
7 1 8 VAL O 1 12 LEU N . 2.800 3.300 3.049 2.982 3.104 . 0 0 "[ . 1]" 2
8 1 7 CYS O 1 11 LYS N . 2.800 3.300 2.917 2.881 2.952 . 0 0 "[ . 1]" 2
9 1 6 THR O 1 10 GLY N . 2.800 3.300 2.961 2.886 3.149 . 0 0 "[ . 1]" 2
10 1 5 SER O 1 9 LEU N . 2.800 3.300 3.041 2.958 3.241 . 0 0 "[ . 1]" 2
11 1 5 SER O 1 9 LEU H . . 2.200 2.049 1.963 2.270 0.070 2 0 "[ . 1]" 2
12 1 6 THR O 1 10 GLY H . . 2.200 2.022 1.966 2.217 0.017 5 0 "[ . 1]" 2
13 1 7 CYS O 1 11 LYS H . . 2.200 1.964 1.933 2.016 . 0 0 "[ . 1]" 2
14 1 8 VAL O 1 12 LEU H . . 2.200 2.045 1.987 2.095 . 0 0 "[ . 1]" 2
15 1 9 LEU O 1 13 SER H . . 2.200 2.066 1.960 2.177 . 0 0 "[ . 1]" 2
16 1 10 GLY O 1 14 GLN H . . 2.200 2.016 1.975 2.092 . 0 0 "[ . 1]" 2
17 1 11 LYS O 1 15 GLU H . . 2.200 1.982 1.932 2.034 . 0 0 "[ . 1]" 2
18 1 12 LEU O 1 16 LEU H . . 2.200 1.995 1.948 2.164 . 0 0 "[ . 1]" 2
19 1 14 GLN O 1 18 LYS H . . 2.200 1.960 1.924 2.024 . 0 0 "[ . 1]" 2
20 1 15 GLU O 1 19 LEU H . . 2.200 2.150 1.957 2.471 0.271 10 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 1:34:01 PM GMT (wattos1)