NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373396 |
1dsq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dsq
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 18
_Distance_constraint_stats_list.Viol_count 46
_Distance_constraint_stats_list.Viol_total 11.194
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0122
_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 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 0.387 0.039 19 0 "[ . 1 . 2]"
1 7 SER 0.387 0.039 19 0 "[ . 1 . 2]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.144 0.013 7 0 "[ . 1 . 2]"
1 11 THR 0.144 0.013 7 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.029 0.011 9 0 "[ . 1 . 2]"
1 17 ASP 0.029 0.011 9 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 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 PRO HA 1 4 VAL H . . 2.700 2.166 2.154 2.189 . 0 0 "[ . 1 . 2]" 1
2 1 4 VAL HA 1 5 CYS H . . 2.700 2.235 2.221 2.245 . 0 0 "[ . 1 . 2]" 1
3 1 5 CYS HA 1 6 PHE H . . 2.700 2.221 2.220 2.222 . 0 0 "[ . 1 . 2]" 1
4 1 6 PHE H 1 7 SER H . . 2.700 2.719 2.693 2.739 0.039 19 0 "[ . 1 . 2]" 1
5 1 7 SER H 1 8 CYS H . . 2.700 2.078 2.022 2.150 . 0 0 "[ . 1 . 2]" 1
6 1 8 CYS H 1 9 GLY H . . 2.700 1.943 1.900 1.997 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY H 1 10 LYS H . . 2.700 2.179 2.126 2.230 . 0 0 "[ . 1 . 2]" 1
8 1 10 LYS HA 1 11 THR H . . 2.700 2.707 2.702 2.713 0.013 7 0 "[ . 1 . 2]" 1
9 1 11 THR HA 1 12 GLY H . . 2.700 2.259 2.240 2.288 . 0 0 "[ . 1 . 2]" 1
10 1 12 GLY H 1 13 HIS H . . 2.700 1.945 1.896 2.005 . 0 0 "[ . 1 . 2]" 1
11 1 13 HIS HA 1 14 ILE H . . 2.700 2.384 2.377 2.390 . 0 0 "[ . 1 . 2]" 1
12 1 14 ILE HA 1 15 LYS H . . 2.700 2.439 2.411 2.451 . 0 0 "[ . 1 . 2]" 1
13 1 15 LYS H 1 16 ARG H . . 5.000 2.945 2.938 2.960 . 0 0 "[ . 1 . 2]" 1
14 1 16 ARG H 1 17 ASP H . . 2.700 2.699 2.689 2.711 0.011 9 0 "[ . 1 . 2]" 1
15 1 17 ASP H 1 18 CYS H . . 2.700 2.371 2.339 2.428 . 0 0 "[ . 1 . 2]" 1
16 1 18 CYS HA 1 19 LYS H . . 2.700 2.293 2.221 2.528 . 0 0 "[ . 1 . 2]" 1
17 1 19 LYS HA 1 20 GLU H . . 2.700 2.457 2.284 2.642 . 0 0 "[ . 1 . 2]" 1
18 1 20 GLU H 1 21 GLU H . . 2.700 2.330 1.901 2.679 . 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 66
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 59.519
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_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 3 PRO 0.420 0.028 13 0 "[ . 1 . 2]"
1 4 VAL 1.095 0.066 3 0 "[ . 1 . 2]"
1 5 CYS 0.782 0.046 3 0 "[ . 1 . 2]"
1 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.146 0.010 10 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 HIS 0.540 0.028 13 0 "[ . 1 . 2]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.679 0.042 19 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 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 PRO HD3 1 12 GLY H . . 5.000 4.344 4.248 4.446 . 0 0 "[ . 1 . 2]" 2
2 1 3 PRO HD3 1 13 HIS H . . 5.000 5.021 5.018 5.028 0.028 13 0 "[ . 1 . 2]" 2
3 1 3 PRO QB 1 4 VAL H . . 3.900 3.340 3.231 3.414 . 0 0 "[ . 1 . 2]" 2
4 1 4 VAL H 1 4 VAL MG1 . . 3.800 1.978 1.909 2.119 . 0 0 "[ . 1 . 2]" 2
5 1 4 VAL H 1 4 VAL HB . . 2.700 2.755 2.744 2.766 0.066 3 0 "[ . 1 . 2]" 2
6 1 4 VAL MG2 1 5 CYS H . . 3.800 2.389 2.202 2.557 . 0 0 "[ . 1 . 2]" 2
7 1 4 VAL MG2 1 9 GLY H . . 5.500 4.500 4.435 4.550 . 0 0 "[ . 1 . 2]" 2
8 1 4 VAL MG2 1 9 GLY HA2 . . 5.500 3.343 3.287 3.401 . 0 0 "[ . 1 . 2]" 2
9 1 4 VAL MG2 1 10 LYS H . . 5.500 4.231 4.165 4.287 . 0 0 "[ . 1 . 2]" 2
10 1 4 VAL MG2 1 11 THR MG . . 5.500 3.145 2.946 3.313 . 0 0 "[ . 1 . 2]" 2
11 1 4 VAL MG2 1 11 THR HA . . 5.500 3.834 3.700 3.952 . 0 0 "[ . 1 . 2]" 2
12 1 4 VAL HA 1 11 THR HA . . 2.700 2.504 2.479 2.546 . 0 0 "[ . 1 . 2]" 2
13 1 4 VAL HA 1 12 GLY H . . 5.000 3.735 3.674 3.833 . 0 0 "[ . 1 . 2]" 2
14 1 4 VAL H 1 14 ILE MG . . 5.500 4.437 4.412 4.471 . 0 0 "[ . 1 . 2]" 2
15 1 5 CYS H 1 5 CYS HB2 . . 2.700 2.732 2.716 2.746 0.046 3 0 "[ . 1 . 2]" 2
16 1 5 CYS H 1 5 CYS HB3 . . 2.700 2.508 2.496 2.518 . 0 0 "[ . 1 . 2]" 2
17 1 5 CYS HA 1 7 SER H . . 5.000 3.444 3.407 3.478 . 0 0 "[ . 1 . 2]" 2
18 1 5 CYS HB3 1 8 CYS H . . 3.300 3.009 2.997 3.026 . 0 0 "[ . 1 . 2]" 2
19 1 5 CYS HB3 1 9 GLY H . . 3.300 2.464 2.411 2.509 . 0 0 "[ . 1 . 2]" 2
20 1 5 CYS H 1 9 GLY HA2 . . 5.000 4.003 3.975 4.025 . 0 0 "[ . 1 . 2]" 2
21 1 5 CYS HB3 1 10 LYS H . . 3.300 1.949 1.942 1.995 . 0 0 "[ . 1 . 2]" 2
22 1 5 CYS H 1 11 THR HA . . 3.300 3.307 3.301 3.310 0.010 10 0 "[ . 1 . 2]" 2
23 1 5 CYS H 1 11 THR MG . . 5.500 4.136 4.056 4.225 . 0 0 "[ . 1 . 2]" 2
24 1 5 CYS H 1 12 GLY H . . 5.000 4.830 4.758 4.940 . 0 0 "[ . 1 . 2]" 2
25 1 5 CYS H 1 13 HIS H . . 5.000 4.331 4.226 4.474 . 0 0 "[ . 1 . 2]" 2
26 1 5 CYS HB2 1 13 HIS HD2 . . 5.000 3.394 2.855 3.616 . 0 0 "[ . 1 . 2]" 2
27 1 5 CYS HA 1 15 LYS H . . 3.300 2.765 2.506 3.005 . 0 0 "[ . 1 . 2]" 2
28 1 6 PHE H 1 15 LYS QB . . 3.300 1.928 1.905 2.006 . 0 0 "[ . 1 . 2]" 2
29 1 6 PHE H 1 15 LYS H . . 5.000 2.524 2.155 2.915 . 0 0 "[ . 1 . 2]" 2
30 1 7 SER H 1 9 GLY H . . 3.300 2.936 2.850 3.040 . 0 0 "[ . 1 . 2]" 2
31 1 7 SER H 1 15 LYS QB . . 3.900 3.118 2.699 3.518 . 0 0 "[ . 1 . 2]" 2
32 1 8 CYS H 1 8 CYS HB3 . . 3.300 3.047 3.025 3.064 . 0 0 "[ . 1 . 2]" 2
33 1 8 CYS HA 1 10 LYS H . . 5.000 4.875 4.847 4.911 . 0 0 "[ . 1 . 2]" 2
34 1 8 CYS H 1 10 LYS H . . 5.000 3.538 3.507 3.581 . 0 0 "[ . 1 . 2]" 2
35 1 8 CYS HB2 1 9 GLY H . . 5.000 3.908 3.833 3.961 . 0 0 "[ . 1 . 2]" 2
36 1 8 CYS HB3 1 9 GLY H . . 5.000 4.135 4.105 4.160 . 0 0 "[ . 1 . 2]" 2
37 1 8 CYS HB2 1 10 LYS H . . 5.000 3.963 3.880 4.005 . 0 0 "[ . 1 . 2]" 2
38 1 8 CYS HB3 1 10 LYS H . . 5.000 4.661 4.640 4.680 . 0 0 "[ . 1 . 2]" 2
39 1 9 GLY H 1 9 GLY HA2 . . 2.700 2.324 2.311 2.339 . 0 0 "[ . 1 . 2]" 2
40 1 10 LYS HA 1 11 THR MG . . 3.800 2.936 2.861 3.013 . 0 0 "[ . 1 . 2]" 2
41 1 10 LYS HB3 1 13 HIS HE1 . . 3.300 2.352 1.999 3.004 . 0 0 "[ . 1 . 2]" 2
42 1 11 THR H 1 11 THR MG . . 3.800 2.423 2.305 2.544 . 0 0 "[ . 1 . 2]" 2
43 1 11 THR HA 1 13 HIS H . . 5.000 3.154 3.112 3.193 . 0 0 "[ . 1 . 2]" 2
44 1 13 HIS H 1 13 HIS QB . . 3.900 3.329 3.322 3.336 . 0 0 "[ . 1 . 2]" 2
45 1 13 HIS QB 1 14 ILE H . . 3.300 2.683 2.673 2.693 . 0 0 "[ . 1 . 2]" 2
46 1 13 HIS HD2 1 17 ASP H . . 5.000 4.801 4.465 4.987 . 0 0 "[ . 1 . 2]" 2
47 1 13 HIS QB 1 17 ASP H . . 5.600 4.660 4.655 4.670 . 0 0 "[ . 1 . 2]" 2
48 1 13 HIS HD2 1 18 CYS HA . . 3.300 2.555 2.397 2.930 . 0 0 "[ . 1 . 2]" 2
49 1 13 HIS HD2 1 18 CYS HB2 . . 3.300 1.996 1.993 1.999 . 0 0 "[ . 1 . 2]" 2
50 1 13 HIS HD2 1 18 CYS H . . 3.300 3.273 3.179 3.315 0.015 7 0 "[ . 1 . 2]" 2
51 1 14 ILE H 1 14 ILE MD . . 3.200 2.420 2.332 2.464 . 0 0 "[ . 1 . 2]" 2
52 1 14 ILE MG 1 15 LYS H . . 3.800 1.879 1.848 1.931 . 0 0 "[ . 1 . 2]" 2
53 1 14 ILE MG 1 16 ARG H . . 3.800 1.921 1.912 1.931 . 0 0 "[ . 1 . 2]" 2
54 1 14 ILE H 1 17 ASP HB3 . . 3.300 3.132 3.084 3.185 . 0 0 "[ . 1 . 2]" 2
55 1 14 ILE MG 1 17 ASP H . . 3.800 2.922 2.899 2.939 . 0 0 "[ . 1 . 2]" 2
56 1 14 ILE HB 1 17 ASP H . . 5.000 2.780 2.699 2.831 . 0 0 "[ . 1 . 2]" 2
57 1 16 ARG HA 1 18 CYS H . . 5.000 3.984 3.812 4.106 . 0 0 "[ . 1 . 2]" 2
58 1 17 ASP H 1 17 ASP HB2 . . 2.700 2.584 2.526 2.661 . 0 0 "[ . 1 . 2]" 2
59 1 17 ASP HB3 1 18 CYS H . . 5.000 4.112 3.997 4.240 . 0 0 "[ . 1 . 2]" 2
60 1 18 CYS H 1 18 CYS HB2 . . 2.700 2.382 2.345 2.409 . 0 0 "[ . 1 . 2]" 2
61 1 18 CYS H 1 18 CYS HB3 . . 2.700 2.728 2.713 2.742 0.042 19 0 "[ . 1 . 2]" 2
62 1 18 CYS HA 1 18 CYS HB2 . . 2.700 2.605 2.596 2.613 . 0 0 "[ . 1 . 2]" 2
63 1 18 CYS HB2 1 19 LYS H . . 5.000 4.527 4.115 4.734 . 0 0 "[ . 1 . 2]" 2
64 1 18 CYS HA 1 20 GLU H . . 5.000 4.578 4.005 4.998 . 0 0 "[ . 1 . 2]" 2
65 1 19 LYS H 1 19 LYS QB . . 3.900 2.741 2.192 3.336 . 0 0 "[ . 1 . 2]" 2
66 1 20 GLU HG2 1 21 GLU H . . 3.300 2.771 1.954 3.299 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 1051.389
_Distance_constraint_stats_list.Viol_max 1.442
_Distance_constraint_stats_list.Viol_rms 0.3982
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1460
_Distance_constraint_stats_list.Viol_average_violations_only 0.3056
_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 3 PRO 0.026 0.010 9 0 "[ . 1 . 2]"
1 5 CYS 0.736 0.032 13 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 0.206 0.016 6 0 "[ . 1 . 2]"
1 9 GLY 0.420 0.032 13 0 "[ . 1 . 2]"
1 10 LYS 0.117 0.012 10 0 "[ . 1 . 2]"
1 12 GLY 0.026 0.010 9 0 "[ . 1 . 2]"
1 14 ILE 51.667 1.442 6 20 [*****+****-*********]
1 15 LYS 0.137 0.012 6 0 "[ . 1 . 2]"
1 17 ASP 51.667 1.442 6 20 [*****+****-*********]
1 18 CYS 0.137 0.012 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 5 CYS N 1 10 LYS O . 2.700 3.000 2.783 2.773 2.793 . 0 0 "[ . 1 . 2]" 3
2 1 5 CYS H 1 10 LYS O . . 2.000 1.794 1.788 1.802 0.012 10 0 "[ . 1 . 2]" 3
3 1 5 CYS SG 1 7 SER N . 3.250 3.550 3.459 3.444 3.473 . 0 0 "[ . 1 . 2]" 3
4 1 5 CYS SG 1 7 SER H . 2.250 2.550 2.534 2.525 2.543 . 0 0 "[ . 1 . 2]" 3
5 1 5 CYS SG 1 8 CYS N . 3.250 3.550 3.493 3.485 3.507 . 0 0 "[ . 1 . 2]" 3
6 1 5 CYS SG 1 8 CYS H . 2.250 2.550 2.560 2.553 2.566 0.016 6 0 "[ . 1 . 2]" 3
7 1 5 CYS O 1 9 GLY N . 2.700 3.000 2.680 2.668 2.691 0.032 13 0 "[ . 1 . 2]" 3
8 1 5 CYS O 1 9 GLY H . . 2.000 1.995 1.979 2.010 0.010 10 0 "[ . 1 . 2]" 3
9 1 8 CYS SG 1 10 LYS N . 3.250 3.550 3.400 3.387 3.430 . 0 0 "[ . 1 . 2]" 3
10 1 8 CYS SG 1 10 LYS H . 2.250 2.550 2.545 2.541 2.554 0.004 7 0 "[ . 1 . 2]" 3
11 1 3 PRO O 1 12 GLY N . 2.700 3.000 2.760 2.724 2.836 . 0 0 "[ . 1 . 2]" 3
12 1 3 PRO O 1 12 GLY H . . 2.000 1.833 1.790 1.927 0.010 9 0 "[ . 1 . 2]" 3
13 1 14 ILE N 1 17 ASP OD1 . 2.700 3.000 4.153 4.100 4.220 1.220 9 20 [********+*-*********] 3
14 1 14 ILE H 1 17 ASP OD1 . . 2.000 3.376 3.328 3.442 1.442 6 20 [*****+****-*********] 3
15 1 14 ILE O 1 17 ASP N . 2.700 3.000 2.669 2.629 2.687 0.071 11 0 "[ . 1 . 2]" 3
16 1 14 ILE O 1 17 ASP H . . 2.000 2.023 2.016 2.030 0.030 11 0 "[ . 1 . 2]" 3
17 1 15 LYS O 1 18 CYS N . 2.700 3.000 2.711 2.688 2.765 0.012 6 0 "[ . 1 . 2]" 3
18 1 15 LYS O 1 18 CYS H . . 2.000 1.957 1.861 2.009 0.009 18 0 "[ . 1 . 2]" 3
stop_
save_
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