NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372400 |
1d9m   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d9m
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 114
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 169.433
_Distance_constraint_stats_list.Viol_max 0.237
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0730
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 1.756 0.165 4 0 "[ . 1 . 2]"
1 4 LEU 3.219 0.174 1 0 "[ . 1 . 2]"
1 5 PHE 3.919 0.174 1 0 "[ . 1 . 2]"
1 6 LYS 2.471 0.155 20 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.025 0.025 18 0 "[ . 1 . 2]"
1 11 PHE 0.471 0.137 6 0 "[ . 1 . 2]"
1 12 LEU 0.575 0.137 6 0 "[ . 1 . 2]"
1 13 HIS 0.083 0.043 10 0 "[ . 1 . 2]"
1 14 SER 2.130 0.237 1 0 "[ . 1 . 2]"
1 15 ALA 2.130 0.237 1 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS H 1 4 LEU H 4.000 . 5.000 2.678 2.446 3.739 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 5 PHE H 3.000 . 3.300 2.595 2.382 2.970 . 0 0 "[ . 1 . 2]" 1
3 1 5 PHE H 1 6 LYS H 3.000 . 3.300 2.597 2.373 2.800 . 0 0 "[ . 1 . 2]" 1
4 1 6 LYS H 1 7 LYS H 3.000 . 3.300 2.524 2.227 2.750 . 0 0 "[ . 1 . 2]" 1
5 1 10 LYS H 1 11 PHE H 3.000 . 3.300 2.680 2.334 3.106 . 0 0 "[ . 1 . 2]" 1
6 1 11 PHE H 1 12 LEU H 2.500 . 2.700 2.697 2.488 2.837 0.137 6 0 "[ . 1 . 2]" 1
7 1 12 LEU H 1 13 HIS H 3.000 . 3.300 2.695 2.506 2.938 . 0 0 "[ . 1 . 2]" 1
8 1 14 SER H 1 15 ALA H 3.000 . 3.300 2.564 2.451 2.808 . 0 0 "[ . 1 . 2]" 1
9 1 15 ALA H 1 16 LYS H 3.000 . 3.300 2.575 2.430 2.758 . 0 0 "[ . 1 . 2]" 1
10 1 16 LYS H 1 17 LYS H 3.000 . 3.300 2.707 2.493 2.915 . 0 0 "[ . 1 . 2]" 1
11 1 17 LYS H 1 18 PHE H 3.000 . 3.300 2.676 2.436 2.910 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 4 LEU H 3.000 . 3.300 3.386 3.322 3.465 0.165 4 0 "[ . 1 . 2]" 1
13 1 4 LEU HA 1 5 PHE H 3.000 . 3.300 3.350 3.153 3.474 0.174 1 0 "[ . 1 . 2]" 1
14 1 5 PHE HA 1 6 LYS H 3.000 . 3.300 3.395 3.344 3.455 0.155 20 0 "[ . 1 . 2]" 1
15 1 6 LYS HA 1 7 LYS H 4.000 . 5.000 3.289 2.965 3.528 . 0 0 "[ . 1 . 2]" 1
16 1 7 LYS HA 1 8 ILE H 4.000 . 5.000 3.298 2.538 3.590 . 0 0 "[ . 1 . 2]" 1
17 1 10 LYS HA 1 11 PHE H 4.000 . 5.000 3.311 2.984 3.530 . 0 0 "[ . 1 . 2]" 1
18 1 11 PHE HA 1 12 LEU H 4.000 . 5.000 3.554 3.496 3.587 . 0 0 "[ . 1 . 2]" 1
19 1 12 LEU HA 1 13 HIS H 4.000 . 5.000 3.476 3.296 3.577 . 0 0 "[ . 1 . 2]" 1
20 1 13 HIS HA 1 14 SER H 4.000 . 5.000 3.523 3.449 3.561 . 0 0 "[ . 1 . 2]" 1
21 1 14 SER HA 1 15 ALA H 3.000 . 3.300 3.406 3.326 3.537 0.237 1 0 "[ . 1 . 2]" 1
22 1 15 ALA HA 1 16 LYS H 4.000 . 5.000 3.452 3.371 3.552 . 0 0 "[ . 1 . 2]" 1
23 1 16 LYS HA 1 17 LYS H 4.000 . 5.000 3.487 3.392 3.579 . 0 0 "[ . 1 . 2]" 1
24 1 17 LYS HA 1 18 PHE H 4.000 . 5.000 3.467 3.250 3.592 . 0 0 "[ . 1 . 2]" 1
25 1 2 TRP QB 1 3 LYS H 4.000 . 6.000 3.075 1.810 4.048 . 0 0 "[ . 1 . 2]" 1
26 1 3 LYS QB 1 4 LEU H 3.000 . 4.300 3.209 1.853 3.802 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU QB 1 5 PHE H 4.000 . 6.000 3.326 2.795 3.778 . 0 0 "[ . 1 . 2]" 1
28 1 5 PHE HB3 1 6 LYS H 3.000 . 3.300 3.308 3.109 3.369 0.069 13 0 "[ . 1 . 2]" 1
29 1 5 PHE HB2 1 6 LYS H 4.000 . 5.000 3.828 3.181 4.334 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS QB 1 8 ILE H 3.000 . 4.300 3.326 2.068 4.030 . 0 0 "[ . 1 . 2]" 1
31 1 10 LYS QB 1 11 PHE H 3.000 . 4.300 3.250 2.733 3.800 . 0 0 "[ . 1 . 2]" 1
32 1 11 PHE QB 1 12 LEU H 4.000 . 6.000 2.579 2.194 3.335 . 0 0 "[ . 1 . 2]" 1
33 1 12 LEU QB 1 13 HIS H 4.000 . 6.000 3.011 2.494 3.846 . 0 0 "[ . 1 . 2]" 1
34 1 13 HIS QB 1 14 SER H 3.000 . 4.300 2.815 2.499 3.443 . 0 0 "[ . 1 . 2]" 1
35 1 14 SER QB 1 15 ALA H 3.000 . 4.300 3.153 2.326 3.681 . 0 0 "[ . 1 . 2]" 1
36 1 15 ALA MB 1 16 LYS H 3.000 . 4.300 2.929 2.596 3.170 . 0 0 "[ . 1 . 2]" 1
37 1 16 LYS QB 1 17 LYS H 3.000 . 4.300 2.951 2.464 3.505 . 0 0 "[ . 1 . 2]" 1
38 1 17 LYS QB 1 18 PHE H 3.000 . 4.300 3.035 2.275 3.897 . 0 0 "[ . 1 . 2]" 1
39 1 2 TRP HD1 1 3 LYS QB 4.000 . 6.000 4.004 1.896 5.066 . 0 0 "[ . 1 . 2]" 1
40 1 2 TRP HD1 1 3 LYS HD3 4.000 . 6.000 5.062 1.934 5.976 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU HG 1 5 PHE H 4.000 . 5.000 4.188 2.094 5.090 0.090 6 0 "[ . 1 . 2]" 1
42 1 7 LYS QG 1 8 ILE H 3.000 . 4.300 3.355 2.007 3.938 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE H 1 9 PRO HD3 4.000 . 5.000 3.741 2.754 4.932 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 9 PRO HD2 4.000 . 5.000 3.570 1.800 4.990 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HA 1 9 PRO HD3 4.000 . 5.000 3.097 2.143 4.153 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE HA 1 9 PRO HD2 4.000 . 5.000 2.907 1.966 3.895 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 9 PRO HD3 4.000 . 5.000 3.597 3.272 4.071 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 9 PRO HD2 4.000 . 5.000 3.426 1.829 4.093 . 0 0 "[ . 1 . 2]" 1
49 1 11 PHE QD 1 12 LEU MD1 2.500 . 6.200 3.729 2.599 4.707 . 0 0 "[ . 1 . 2]" 1
50 1 11 PHE QD 1 15 ALA MB 4.000 . 8.500 5.268 3.368 6.373 . 0 0 "[ . 1 . 2]" 1
51 1 12 LEU HG 1 13 HIS H 4.000 . 5.000 4.659 2.978 5.043 0.043 10 0 "[ . 1 . 2]" 1
52 1 3 LYS HA 1 5 PHE H 4.000 . 5.000 3.489 3.227 4.092 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU HA 1 6 LYS H 4.000 . 5.000 3.413 3.105 3.957 . 0 0 "[ . 1 . 2]" 1
54 1 5 PHE HA 1 7 LYS H 4.000 . 5.000 3.681 3.326 4.233 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS HA 1 8 ILE H 4.000 . 5.000 4.184 3.348 4.915 . 0 0 "[ . 1 . 2]" 1
56 1 10 LYS HA 1 12 LEU H 4.000 . 5.000 4.044 3.388 4.968 . 0 0 "[ . 1 . 2]" 1
57 1 11 PHE HA 1 13 HIS H 4.000 . 5.000 3.941 3.529 4.521 . 0 0 "[ . 1 . 2]" 1
58 1 12 LEU HA 1 14 SER H 4.000 . 5.000 3.959 3.730 4.444 . 0 0 "[ . 1 . 2]" 1
59 1 13 HIS HA 1 15 ALA H 4.000 . 5.000 3.744 3.430 4.671 . 0 0 "[ . 1 . 2]" 1
60 1 14 SER HA 1 16 LYS H 4.000 . 5.000 3.604 3.378 4.083 . 0 0 "[ . 1 . 2]" 1
61 1 15 ALA HA 1 17 LYS H 4.000 . 5.000 3.652 3.324 4.565 . 0 0 "[ . 1 . 2]" 1
62 1 16 LYS HA 1 18 PHE H 4.000 . 5.000 3.792 3.294 4.787 . 0 0 "[ . 1 . 2]" 1
63 1 3 LYS HA 1 6 LYS H 4.000 . 5.000 4.325 3.282 5.031 0.031 10 0 "[ . 1 . 2]" 1
64 1 4 LEU HA 1 7 LYS H 4.000 . 5.000 3.826 3.392 4.373 . 0 0 "[ . 1 . 2]" 1
65 1 5 PHE HA 1 8 ILE H 4.000 . 5.000 4.160 3.115 4.972 . 0 0 "[ . 1 . 2]" 1
66 1 10 LYS HA 1 13 HIS H 4.000 . 5.000 3.502 3.000 3.989 . 0 0 "[ . 1 . 2]" 1
67 1 11 PHE HA 1 14 SER H 4.000 . 5.000 3.725 3.134 4.366 . 0 0 "[ . 1 . 2]" 1
68 1 12 LEU HA 1 15 ALA H 4.000 . 5.000 3.579 3.209 3.934 . 0 0 "[ . 1 . 2]" 1
69 1 13 HIS HA 1 16 LYS H 4.000 . 5.000 3.890 3.353 4.296 . 0 0 "[ . 1 . 2]" 1
70 1 14 SER HA 1 17 LYS H 4.000 . 5.000 3.982 3.280 4.388 . 0 0 "[ . 1 . 2]" 1
71 1 15 ALA HA 1 18 PHE H 4.000 . 5.000 3.755 3.093 4.506 . 0 0 "[ . 1 . 2]" 1
72 1 5 PHE HA 1 8 ILE HB 4.000 . 6.000 4.441 2.571 5.858 . 0 0 "[ . 1 . 2]" 1
73 1 9 PRO HA 1 11 PHE QB 3.000 . 4.300 3.802 3.433 3.980 . 0 0 "[ . 1 . 2]" 1
74 1 10 LYS HA 1 13 HIS HB2 4.000 . 5.000 3.249 1.886 5.025 0.025 18 0 "[ . 1 . 2]" 1
75 1 10 LYS HA 1 13 HIS HB3 4.000 . 5.000 4.034 2.892 4.841 . 0 0 "[ . 1 . 2]" 1
76 1 11 PHE HA 1 14 SER QB 4.000 . 6.000 3.660 2.128 5.215 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU HA 1 15 ALA MB 3.000 . 4.300 2.960 2.345 3.446 . 0 0 "[ . 1 . 2]" 1
78 1 13 HIS HA 1 16 LYS QB 4.000 . 6.000 3.894 2.430 4.875 . 0 0 "[ . 1 . 2]" 1
79 1 14 SER HA 1 17 LYS QB 4.000 . 6.000 4.273 3.123 4.969 . 0 0 "[ . 1 . 2]" 1
80 1 2 TRP QB 1 2 TRP HE3 2.500 . 3.700 2.566 2.431 3.007 . 0 0 "[ . 1 . 2]" 1
81 1 2 TRP QB 1 2 TRP HD1 3.000 . 4.300 2.871 2.477 3.215 . 0 0 "[ . 1 . 2]" 1
82 1 3 LYS H 1 3 LYS QG 4.000 . 6.000 2.950 1.844 3.949 . 0 0 "[ . 1 . 2]" 1
83 1 4 LEU H 1 4 LEU QB 2.500 . 3.700 2.242 1.945 2.504 . 0 0 "[ . 1 . 2]" 1
84 1 4 LEU H 1 4 LEU HG 3.000 . 3.300 2.664 1.953 3.336 0.036 1 0 "[ . 1 . 2]" 1
85 1 4 LEU H 1 4 LEU MD1 4.000 . 6.500 3.119 1.852 4.059 . 0 0 "[ . 1 . 2]" 1
86 1 5 PHE H 1 5 PHE HB2 3.000 . 3.300 2.175 1.936 2.693 . 0 0 "[ . 1 . 2]" 1
87 1 5 PHE H 1 5 PHE HB3 3.000 . 3.300 2.827 2.205 3.351 0.051 13 0 "[ . 1 . 2]" 1
88 1 5 PHE H 1 5 PHE QD 4.000 . 7.000 3.810 2.836 4.151 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS H 1 6 LYS QB 2.500 . 3.700 2.180 1.920 2.625 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS H 1 6 LYS QG 3.000 . 4.300 3.378 1.950 4.002 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS H 1 6 LYS QD 4.000 . 6.000 4.227 3.080 4.769 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS H 1 7 LYS QB 3.000 . 4.300 2.536 1.914 3.103 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS H 1 7 LYS QG 3.000 . 4.300 2.877 1.859 4.036 . 0 0 "[ . 1 . 2]" 1
94 1 8 ILE H 1 8 ILE HB 2.500 . 2.700 2.303 1.969 2.651 . 0 0 "[ . 1 . 2]" 1
95 1 8 ILE H 1 8 ILE QG 4.000 . 6.500 2.799 1.862 3.999 . 0 0 "[ . 1 . 2]" 1
96 1 8 ILE H 1 8 ILE MG 4.000 . 6.500 3.559 2.346 3.875 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE H 1 8 ILE MD 4.000 . 6.000 3.098 1.859 4.231 . 0 0 "[ . 1 . 2]" 1
98 1 10 LYS H 1 10 LYS QB 3.000 . 4.300 2.108 1.965 2.435 . 0 0 "[ . 1 . 2]" 1
99 1 11 PHE H 1 11 PHE QB 2.500 . 3.700 2.080 1.888 2.176 . 0 0 "[ . 1 . 2]" 1
100 1 11 PHE H 1 11 PHE QD 4.000 . 7.000 3.929 2.467 4.138 . 0 0 "[ . 1 . 2]" 1
101 1 12 LEU H 1 12 LEU QB 3.000 . 4.300 2.129 1.918 2.746 . 0 0 "[ . 1 . 2]" 1
102 1 12 LEU H 1 12 LEU HG 4.000 . 5.000 3.525 1.769 4.468 0.031 18 0 "[ . 1 . 2]" 1
103 1 12 LEU H 1 12 LEU MD1 4.000 . 6.500 2.748 1.918 3.467 . 0 0 "[ . 1 . 2]" 1
104 1 13 HIS H 1 13 HIS QB 2.500 . 3.700 2.084 1.943 2.183 . 0 0 "[ . 1 . 2]" 1
105 1 14 SER H 1 14 SER QB 3.000 . 4.300 2.225 1.954 2.828 . 0 0 "[ . 1 . 2]" 1
106 1 15 ALA H 1 15 ALA MB 2.500 . 4.200 2.049 1.936 2.144 . 0 0 "[ . 1 . 2]" 1
107 1 16 LYS H 1 16 LYS QB 2.500 . 3.700 2.075 1.915 2.479 . 0 0 "[ . 1 . 2]" 1
108 1 16 LYS H 1 16 LYS QG 3.000 . 4.300 3.254 1.908 3.974 . 0 0 "[ . 1 . 2]" 1
109 1 17 LYS H 1 17 LYS QB 3.000 . 4.300 2.095 1.926 2.479 . 0 0 "[ . 1 . 2]" 1
110 1 17 LYS H 1 17 LYS QG 4.000 . 6.000 3.136 1.852 3.971 . 0 0 "[ . 1 . 2]" 1
111 1 18 PHE H 1 18 PHE HB2 3.000 . 3.300 2.517 2.084 3.182 . 0 0 "[ . 1 . 2]" 1
112 1 18 PHE H 1 18 PHE HB3 3.000 . 3.300 2.601 1.938 3.186 . 0 0 "[ . 1 . 2]" 1
113 1 18 PHE HB2 1 18 PHE QD 3.000 . 5.300 2.507 2.302 2.788 . 0 0 "[ . 1 . 2]" 1
114 1 18 PHE HB3 1 18 PHE QD 3.000 . 5.300 2.441 2.302 2.745 . 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 14
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 13.729
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0181
_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 TRP 0.188 0.063 19 0 "[ . 1 . 2]"
1 4 LEU 0.107 0.030 2 0 "[ . 1 . 2]"
1 5 PHE 0.188 0.063 19 0 "[ . 1 . 2]"
1 7 LYS 0.107 0.030 2 0 "[ . 1 . 2]"
1 10 LYS 0.117 0.032 9 0 "[ . 1 . 2]"
1 11 PHE 0.053 0.015 10 0 "[ . 1 . 2]"
1 13 HIS 0.117 0.032 9 0 "[ . 1 . 2]"
1 14 SER 0.243 0.037 3 0 "[ . 1 . 2]"
1 15 ALA 0.031 0.027 12 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.190 0.037 3 0 "[ . 1 . 2]"
1 18 PHE 0.031 0.027 12 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 TRP O 1 5 PHE N 3.300 2.500 3.500 3.209 2.580 3.501 0.001 11 0 "[ . 1 . 2]" 2
2 1 4 LEU O 1 7 LYS N 3.300 2.500 3.500 3.204 2.617 3.476 . 0 0 "[ . 1 . 2]" 2
3 1 10 LYS O 1 13 HIS N 3.300 2.500 3.500 3.152 2.509 3.402 . 0 0 "[ . 1 . 2]" 2
4 1 11 PHE O 1 14 SER N 3.300 2.500 3.500 3.109 2.578 3.448 . 0 0 "[ . 1 . 2]" 2
5 1 13 HIS O 1 16 LYS N 3.300 2.500 3.500 3.227 2.804 3.473 . 0 0 "[ . 1 . 2]" 2
6 1 14 SER O 1 17 LYS N 3.300 2.500 3.500 3.296 2.987 3.505 0.005 8 0 "[ . 1 . 2]" 2
7 1 15 ALA O 1 18 PHE N 3.300 2.500 3.500 3.037 2.608 3.505 0.005 12 0 "[ . 1 . 2]" 2
8 1 2 TRP O 1 5 PHE H 2.300 . 2.500 2.309 1.660 2.563 0.063 19 0 "[ . 1 . 2]" 2
9 1 4 LEU O 1 7 LYS H 2.300 . 2.500 2.298 1.652 2.530 0.030 2 0 "[ . 1 . 2]" 2
10 1 10 LYS O 1 13 HIS H 2.300 . 2.500 2.375 1.554 2.532 0.032 9 0 "[ . 1 . 2]" 2
11 1 11 PHE O 1 14 SER H 2.300 . 2.500 2.266 1.729 2.515 0.015 10 0 "[ . 1 . 2]" 2
12 1 13 HIS O 1 16 LYS H 2.300 . 2.500 2.301 1.865 2.498 . 0 0 "[ . 1 . 2]" 2
13 1 14 SER O 1 17 LYS H 2.300 . 2.500 2.383 2.028 2.537 0.037 3 0 "[ . 1 . 2]" 2
14 1 15 ALA O 1 18 PHE H 2.300 . 2.500 2.164 1.713 2.527 0.027 12 0 "[ . 1 . 2]" 2
stop_
save_
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