NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397919 |
1t51   |
6220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t51
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 104
_Distance_constraint_stats_list.Viol_count 360
_Distance_constraint_stats_list.Viol_total 232.673
_Distance_constraint_stats_list.Viol_max 0.886
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 0.132 0.020 9 0 "[ . 1 . 2]"
1 3 GLY 1.748 0.073 13 0 "[ . 1 . 2]"
1 4 LYS 5.884 0.886 11 3 "[ . *+ - . 2]"
1 5 ILE 1.861 0.067 7 0 "[ . 1 . 2]"
1 6 TRP 1.200 0.042 13 0 "[ . 1 . 2]"
1 7 GLU 2.785 0.336 8 0 "[ . 1 . 2]"
1 8 GLY 2.430 0.336 8 0 "[ . 1 . 2]"
1 9 ILE 0.347 0.029 4 0 "[ . 1 . 2]"
1 10 LYS 0.092 0.016 19 0 "[ . 1 . 2]"
1 11 SER 0.152 0.022 1 0 "[ . 1 . 2]"
1 12 LEU 0.530 0.067 6 0 "[ . 1 . 2]"
1 13 PHE 1.552 0.067 6 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 LEU H 1 3 GLY H 3.000 . 3.500 2.730 2.367 3.510 0.010 13 0 "[ . 1 . 2]" 1
2 1 3 GLY H 1 4 LYS H 3.000 . 3.500 3.121 2.282 3.531 0.031 18 0 "[ . 1 . 2]" 1
3 1 4 LYS H 1 5 ILE H 2.500 . 2.700 2.625 2.485 2.702 0.002 3 0 "[ . 1 . 2]" 1
4 1 5 ILE H 1 6 TRP H 2.500 . 2.700 2.509 2.414 2.616 . 0 0 "[ . 1 . 2]" 1
5 1 6 TRP H 1 7 GLU H 3.000 . 3.500 2.464 2.403 2.565 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLU H 1 8 GLY H 3.000 . 3.500 2.700 2.600 2.828 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLY H 1 9 ILE H 3.000 . 3.500 2.389 2.335 2.483 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE H 1 10 LYS H 3.000 . 3.500 2.860 2.613 3.090 . 0 0 "[ . 1 . 2]" 1
9 1 10 LYS H 1 11 SER H 2.500 . 3.000 2.708 2.562 2.810 . 0 0 "[ . 1 . 2]" 1
10 1 11 SER H 1 12 LEU H 2.500 . 2.700 2.433 2.354 2.555 . 0 0 "[ . 1 . 2]" 1
11 1 12 LEU H 1 13 PHE H 2.500 . 2.700 2.412 2.151 2.709 0.009 19 0 "[ . 1 . 2]" 1
12 1 3 GLY H 1 5 ILE H 4.000 . 6.000 5.401 4.594 5.739 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 6 TRP H 4.000 . 6.000 3.836 3.659 4.114 . 0 0 "[ . 1 . 2]" 1
14 1 5 ILE H 1 7 GLU H 4.000 . 6.000 4.028 3.861 4.229 . 0 0 "[ . 1 . 2]" 1
15 1 6 TRP H 1 8 GLY H 4.000 . 6.000 4.231 4.017 4.441 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLU H 1 9 ILE H 4.000 . 6.000 4.042 3.939 4.176 . 0 0 "[ . 1 . 2]" 1
17 1 9 ILE H 1 11 SER H 4.000 . 6.000 3.774 3.623 3.886 . 0 0 "[ . 1 . 2]" 1
18 1 10 LYS H 1 12 LEU H 4.000 . 6.000 4.194 4.068 4.315 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLY H 1 6 TRP H 4.000 . 6.000 5.375 5.167 5.477 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HA 1 3 GLY H 3.000 . 3.500 3.464 3.315 3.520 0.020 9 0 "[ . 1 . 2]" 1
21 1 3 GLY HA3 1 4 LYS H 3.000 . 3.500 3.548 3.510 3.573 0.073 13 0 "[ . 1 . 2]" 1
22 1 3 GLY HA2 1 4 LYS H 2.500 . 2.700 2.475 2.311 2.712 0.012 6 0 "[ . 1 . 2]" 1
23 1 4 LYS HA 1 5 ILE H 3.000 . 3.500 3.548 3.517 3.567 0.067 7 0 "[ . 1 . 2]" 1
24 1 5 ILE HA 1 6 TRP H 3.000 . 3.500 3.512 3.485 3.542 0.042 13 0 "[ . 1 . 2]" 1
25 1 6 TRP HA 1 7 GLU H 3.000 . 3.500 3.514 3.485 3.538 0.038 4 0 "[ . 1 . 2]" 1
26 1 7 GLU HA 1 8 GLY H 3.000 . 3.500 3.531 3.509 3.555 0.055 7 0 "[ . 1 . 2]" 1
27 1 8 GLY HA2 1 9 ILE H 3.000 . 3.500 3.513 3.492 3.529 0.029 4 0 "[ . 1 . 2]" 1
28 1 8 GLY HA3 1 9 ILE H 3.000 . 3.500 2.959 2.917 3.016 . 0 0 "[ . 1 . 2]" 1
29 1 9 ILE HA 1 10 LYS H 3.000 . 4.000 3.588 3.571 3.593 . 0 0 "[ . 1 . 2]" 1
30 1 10 LYS HA 1 11 SER H 3.000 . 3.500 3.496 3.457 3.516 0.016 19 0 "[ . 1 . 2]" 1
31 1 11 SER HA 1 12 LEU H 3.000 . 3.500 3.490 3.405 3.522 0.022 1 0 "[ . 1 . 2]" 1
32 1 12 LEU HA 1 13 PHE H 3.000 . 3.500 3.499 3.341 3.567 0.067 6 0 "[ . 1 . 2]" 1
33 1 11 SER H 1 13 PHE H 4.000 . 6.000 4.084 3.770 4.819 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLY HA3 1 6 TRP H 3.000 . 3.500 3.481 3.245 3.534 0.034 6 0 "[ . 1 . 2]" 1
35 1 3 GLY HA2 1 6 TRP H 3.000 . 3.500 3.426 3.160 3.530 0.030 20 0 "[ . 1 . 2]" 1
36 1 4 LYS HA 1 7 GLU H 3.000 . 3.500 3.511 3.460 3.531 0.031 1 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 1 8 GLY H 4.000 . 6.000 3.806 3.633 3.952 . 0 0 "[ . 1 . 2]" 1
38 1 6 TRP HA 1 9 ILE H 3.000 . 3.500 3.080 2.960 3.193 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLY HA2 1 11 SER H 4.000 . 6.000 3.525 3.383 3.740 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLY HA3 1 11 SER H 4.000 . 6.000 4.635 4.507 4.829 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE HA 1 12 LEU H 3.000 . 3.500 3.448 3.292 3.507 0.007 6 0 "[ . 1 . 2]" 1
42 1 10 LYS HA 1 13 PHE H 4.000 . 6.000 3.639 3.324 4.791 . 0 0 "[ . 1 . 2]" 1
43 1 3 GLY HA3 1 7 GLU H 4.000 . 6.000 4.203 3.876 4.463 . 0 0 "[ . 1 . 2]" 1
44 1 3 GLY HA2 1 7 GLU H 4.000 . 6.000 4.846 4.593 5.073 . 0 0 "[ . 1 . 2]" 1
45 1 6 TRP HA 1 10 LYS H 3.000 . 4.000 3.889 3.621 4.009 0.009 8 0 "[ . 1 . 2]" 1
46 1 9 ILE HA 1 13 PHE H 4.000 . 6.000 4.525 3.093 5.097 . 0 0 "[ . 1 . 2]" 1
47 1 2 LEU HB3 1 3 GLY H 3.000 . 3.500 3.097 1.873 3.510 0.010 18 0 "[ . 1 . 2]" 1
48 1 4 LYS H 1 5 ILE HB 3.000 . 4.500 4.519 4.503 4.540 0.040 18 0 "[ . 1 . 2]" 1
49 1 4 LYS HB2 1 5 ILE H 3.000 . 3.500 3.208 2.601 3.523 0.023 16 0 "[ . 1 . 2]" 1
50 1 4 LYS HB3 1 5 ILE H 3.000 . 3.500 2.720 2.225 3.399 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE HB 1 6 TRP H 3.000 . 3.500 2.835 2.664 2.968 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE MG 1 6 TRP H 4.000 . 5.000 3.444 3.233 3.614 . 0 0 "[ . 1 . 2]" 1
53 1 6 TRP HB3 1 7 GLU H 3.000 . 3.500 2.882 2.752 3.019 . 0 0 "[ . 1 . 2]" 1
54 1 6 TRP HD1 1 7 GLU H 4.000 . 5.000 3.956 3.720 4.206 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU HB3 1 8 GLY H 3.000 . 3.500 3.045 2.556 3.505 0.005 13 0 "[ . 1 . 2]" 1
56 1 7 GLU HB2 1 8 GLY H 3.000 . 3.500 3.200 2.859 3.510 0.010 16 0 "[ . 1 . 2]" 1
57 1 9 ILE HB 1 10 LYS H 3.000 . 3.500 2.196 1.889 2.500 . 0 0 "[ . 1 . 2]" 1
58 1 10 LYS HB3 1 11 SER H 4.000 . 5.000 4.019 3.893 4.107 . 0 0 "[ . 1 . 2]" 1
59 1 10 LYS HB2 1 11 SER H 4.000 . 5.000 3.973 3.838 4.082 . 0 0 "[ . 1 . 2]" 1
60 1 11 SER H 1 12 LEU HB2 4.000 . 5.000 4.236 4.061 4.634 . 0 0 "[ . 1 . 2]" 1
61 1 11 SER HB3 1 12 LEU H 3.000 . 3.500 3.126 2.771 3.503 0.003 17 0 "[ . 1 . 2]" 1
62 1 12 LEU HB3 1 13 PHE H 3.000 . 3.500 3.156 2.433 3.504 0.004 4 0 "[ . 1 . 2]" 1
63 1 12 LEU HG 1 13 PHE H 4.000 . 5.000 4.791 4.280 4.997 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU HG3 1 8 GLY H 4.000 . 5.000 5.002 4.357 5.336 0.336 8 0 "[ . 1 . 2]" 1
65 1 9 ILE MD 1 10 LYS H 4.000 . 5.000 4.245 3.940 4.561 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE HG12 1 6 TRP H 4.000 . 5.000 4.459 4.302 4.551 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE HB 1 11 SER H 4.000 . 5.000 4.467 4.181 4.740 . 0 0 "[ . 1 . 2]" 1
68 1 3 GLY HA2 1 6 TRP HB3 3.000 . 3.500 3.351 3.196 3.505 0.005 9 0 "[ . 1 . 2]" 1
69 1 9 ILE HA 1 12 LEU MD1 4.000 . 5.000 3.498 2.403 4.328 . 0 0 "[ . 1 . 2]" 1
70 1 6 TRP HB2 1 9 ILE MD 4.000 . 5.000 3.582 3.108 3.973 . 0 0 "[ . 1 . 2]" 1
71 1 1 ILE HG13 1 4 LYS HA 4.000 . 5.000 4.358 3.471 4.999 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLU HA 1 10 LYS HB3 4.000 . 5.000 4.594 4.150 5.009 0.009 9 0 "[ . 1 . 2]" 1
73 1 9 ILE HA 1 12 LEU HB2 4.000 . 5.000 3.005 2.711 3.626 . 0 0 "[ . 1 . 2]" 1
74 1 6 TRP HB2 1 9 ILE HG13 4.000 . 5.000 4.992 4.893 5.009 0.009 18 0 "[ . 1 . 2]" 1
75 1 6 TRP HB2 1 9 ILE HB 4.000 . 5.000 4.423 4.025 4.825 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HB 1 6 TRP HB2 4.000 . 5.000 4.509 4.396 4.640 . 0 0 "[ . 1 . 2]" 1
77 1 6 TRP HE1 1 7 GLU HA 4.000 . 5.000 4.891 4.721 5.010 0.010 4 0 "[ . 1 . 2]" 1
78 1 6 TRP HE3 1 9 ILE HB 3.000 . 3.500 2.732 2.248 3.152 . 0 0 "[ . 1 . 2]" 1
79 1 6 TRP HE3 1 9 ILE MD 4.000 . 5.000 2.125 1.851 2.430 . 0 0 "[ . 1 . 2]" 1
80 1 3 GLY HA2 1 6 TRP HD1 4.000 . 5.000 4.984 4.753 5.013 0.013 3 0 "[ . 1 . 2]" 1
81 1 4 LYS H 1 4 LYS HB2 3.000 . 3.500 2.063 1.948 2.304 . 0 0 "[ . 1 . 2]" 1
82 1 4 LYS H 1 4 LYS HB3 3.000 . 3.500 3.038 2.608 3.498 . 0 0 "[ . 1 . 2]" 1
83 1 4 LYS H 1 4 LYS HG2 4.000 . 5.000 4.053 3.238 4.603 . 0 0 "[ . 1 . 2]" 1
84 1 4 LYS H 1 4 LYS HD3 4.000 . 5.000 4.851 3.161 5.886 0.886 11 3 "[ . *+ - . 2]" 1
85 1 5 ILE H 1 5 ILE HB 3.000 . 3.500 2.214 2.151 2.308 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE H 1 5 ILE HG12 2.500 . 2.700 2.372 2.132 2.470 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE H 1 5 ILE HG13 3.000 . 3.500 3.513 3.503 3.526 0.026 6 0 "[ . 1 . 2]" 1
88 1 5 ILE H 1 5 ILE MG 4.000 . 5.000 3.659 3.632 3.693 . 0 0 "[ . 1 . 2]" 1
89 1 6 TRP HA 1 6 TRP HZ3 4.000 . 5.000 4.778 4.507 4.975 . 0 0 "[ . 1 . 2]" 1
90 1 6 TRP HA 1 6 TRP HD1 4.000 . 5.000 4.608 4.455 4.735 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU H 1 7 GLU HB3 3.000 . 3.500 3.200 2.881 3.450 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU H 1 7 GLU HB2 2.500 . 2.700 1.992 1.935 2.091 . 0 0 "[ . 1 . 2]" 1
93 1 9 ILE H 1 9 ILE HB 2.500 . 2.700 2.322 2.224 2.485 . 0 0 "[ . 1 . 2]" 1
94 1 9 ILE H 1 9 ILE MG 4.000 . 5.000 3.690 3.664 3.717 . 0 0 "[ . 1 . 2]" 1
95 1 9 ILE H 1 9 ILE HG13 3.000 . 3.500 2.166 1.906 2.358 . 0 0 "[ . 1 . 2]" 1
96 1 10 LYS H 1 10 LYS HB3 2.500 . 2.700 2.382 2.236 2.519 . 0 0 "[ . 1 . 2]" 1
97 1 10 LYS H 1 10 LYS HG2 3.000 . 3.500 2.626 1.998 3.266 . 0 0 "[ . 1 . 2]" 1
98 1 10 LYS H 1 10 LYS HD3 4.000 . 5.000 4.437 4.003 4.858 . 0 0 "[ . 1 . 2]" 1
99 1 12 LEU H 1 12 LEU HG 4.000 . 5.000 3.869 2.900 4.408 . 0 0 "[ . 1 . 2]" 1
100 1 12 LEU H 1 12 LEU MD1 4.000 . 5.000 3.427 2.518 4.327 . 0 0 "[ . 1 . 2]" 1
101 1 13 PHE H 1 13 PHE HD1 4.000 . 5.000 3.774 2.892 4.347 . 0 0 "[ . 1 . 2]" 1
102 1 13 PHE HA 1 13 PHE HE1 3.000 . 4.000 4.048 4.041 4.059 0.059 13 0 "[ . 1 . 2]" 1
103 1 13 PHE HA 1 13 PHE HD1 4.000 . 5.000 1.881 1.855 1.918 . 0 0 "[ . 1 . 2]" 1
104 1 13 PHE HB2 1 13 PHE HE1 4.000 . 5.000 5.007 4.990 5.028 0.028 18 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 5.918
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_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 ILE 0.167 0.018 17 0 "[ . 1 . 2]"
1 6 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.107 0.017 1 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.189 0.018 17 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.107 0.017 1 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.021 0.011 1 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 ILE O 1 9 ILE N 3.300 2.500 3.500 3.504 3.451 3.518 0.018 17 0 "[ . 1 . 2]" 2
2 1 6 TRP O 1 10 LYS N 3.300 2.500 3.500 3.068 2.760 3.396 . 0 0 "[ . 1 . 2]" 2
3 1 7 GLU O 1 11 SER N 3.300 2.500 3.500 3.481 3.296 3.517 0.017 1 0 "[ . 1 . 2]" 2
4 1 8 GLY O 1 12 LEU N 3.300 2.500 3.500 3.057 2.598 3.425 . 0 0 "[ . 1 . 2]" 2
5 1 9 ILE O 1 13 PHE N 3.300 2.500 3.500 3.202 2.705 3.511 0.011 1 0 "[ . 1 . 2]" 2
stop_
save_
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