NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372944 |
1dlz   |
4601 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dlz
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 5
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 135.883
_Distance_constraint_stats_list.Viol_max 0.501
_Distance_constraint_stats_list.Viol_rms 0.1377
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0679
_Distance_constraint_stats_list.Viol_average_violations_only 0.3235
_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 ILE 0.235 0.235 3 0 "[ . 1 . 2]"
1 6 ILE 0.235 0.235 3 0 "[ . 1 . 2]"
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 HYP 6.559 0.501 7 1 "[ . + 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 HYP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 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 ILE MD 1 6 ILE HB . 3.000 . 6.120 2.765 8.015 0.235 3 0 "[ . 1 . 2]" 1
2 1 6 ILE MG 1 7 THR HG1 . 3.000 . 4.842 3.938 6.737 . 0 0 "[ . 1 . 2]" 1
3 1 11 HYP HB3 1 11 HYP HD1 . 3.000 . 2.672 2.499 2.862 0.501 7 1 "[ . + 1 . 2]" 1
4 1 11 HYP HA 1 14 HYP HG . 3.000 . 3.849 3.619 4.169 . 0 0 "[ . 1 . 2]" 1
5 1 12 GLN HA 1 16 PRO QG . 3.000 . 4.293 4.100 4.536 . 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 82
_Distance_constraint_stats_list.Viol_count 419
_Distance_constraint_stats_list.Viol_total 3403.066
_Distance_constraint_stats_list.Viol_max 5.325
_Distance_constraint_stats_list.Viol_rms 0.4308
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1038
_Distance_constraint_stats_list.Viol_average_violations_only 0.4061
_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 96.260 5.325 16 15 "[*** *** **-****+ *]"
1 3 ILE 51.455 2.130 12 18 "[******- ** +********]"
1 4 GLN 10.107 1.647 10 7 "[ * . -* + * . * *]"
1 6 ILE 104.629 5.325 16 16 "[******* *1****-+ * *]"
1 7 THR 8.523 1.647 10 2 "[ . * + . 2]"
1 8 ABA 4.117 0.951 8 2 "[ . + - . 2]"
1 9 LEU 3.143 0.352 11 0 "[ . 1 . 2]"
1 10 ABA 3.470 0.121 15 0 "[ . 1 . 2]"
1 11 HYP 13.559 0.644 7 20 [******+***-*********]
1 12 GLN 14.057 0.644 7 20 [******+***-*********]
1 13 ABA 1.761 0.073 9 0 "[ . 1 . 2]"
1 14 HYP 2.530 0.241 3 0 "[ . 1 . 2]"
1 15 ABA 1.601 0.241 3 0 "[ . 1 . 2]"
1 16 PRO 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 2 TRP H 1 2 TRP HD1 . . 4.720 4.354 2.435 5.383 0.663 12 3 "[ . 1-+ *. 2]" 2
2 1 2 TRP H 1 3 ILE H . . 3.330 2.678 2.595 2.790 . 0 0 "[ . 1 . 2]" 2
3 1 2 TRP HA 1 2 TRP HE3 . . 5.500 4.121 2.386 5.192 . 0 0 "[ . 1 . 2]" 2
4 1 2 TRP HA 1 3 ILE H . . 3.580 3.522 3.443 3.584 0.004 10 0 "[ . 1 . 2]" 2
5 1 2 TRP QB 1 3 ILE H . . 4.860 3.201 2.563 3.893 . 0 0 "[ . 1 . 2]" 2
6 1 2 TRP QB 1 6 ILE MD . . 7.400 5.478 3.533 7.066 . 0 0 "[ . 1 . 2]" 2
7 1 2 TRP HE3 1 3 ILE HA . . 5.500 6.218 4.130 7.630 2.130 12 14 "[-** *** ** +**** *]" 2
8 1 2 TRP HE3 1 6 ILE MD . . 6.190 7.016 3.287 9.891 3.701 16 12 "[ ** *** *1 ***-+ *]" 2
9 1 2 TRP HZ3 1 6 ILE MD . . 6.530 7.970 2.207 11.855 5.325 16 14 "[-** *** *1*****+ *]" 2
10 1 3 ILE H 1 3 ILE HB . . 2.960 3.023 2.472 3.835 0.875 7 7 "[ *. + *1 ***. -2]" 2
11 1 3 ILE H 1 4 GLN H . . 3.170 2.726 2.642 2.867 . 0 0 "[ . 1 . 2]" 2
12 1 3 ILE HA 1 4 GLN H . . 3.450 3.493 3.470 3.515 0.065 2 0 "[ . 1 . 2]" 2
13 1 3 ILE HA 1 6 ILE H . . 3.640 3.639 3.485 3.677 0.037 14 0 "[ . 1 . 2]" 2
14 1 3 ILE HA 1 6 ILE HB . . 3.480 4.098 2.568 5.281 1.801 1 13 "[+ **** *1 ***** * -]" 2
15 1 3 ILE HA 1 6 ILE MG . . 4.420 3.315 2.102 4.410 . 0 0 "[ . 1 . 2]" 2
16 1 3 ILE HA 1 6 ILE QG . . 5.450 4.183 2.109 5.547 0.097 6 0 "[ . 1 . 2]" 2
17 1 3 ILE HA 1 6 ILE MD . . 5.100 4.619 2.636 6.181 1.081 16 2 "[ . - 1 .+ 2]" 2
18 1 3 ILE HB 1 4 GLN H . . 3.550 3.613 2.869 4.270 0.720 3 5 "[ + . - 1 * . * *]" 2
19 1 3 ILE MD 1 4 GLN HA . . 6.530 5.135 3.213 6.479 . 0 0 "[ . 1 . 2]" 2
20 1 3 ILE MD 1 7 THR HG1 . . 6.530 4.516 2.311 6.571 0.041 8 0 "[ . 1 . 2]" 2
21 1 4 GLN H 1 4 GLN HB2 . . 3.080 2.520 2.398 2.672 . 0 0 "[ . 1 . 2]" 2
22 1 4 GLN HA 1 4 GLN QG . . 3.710 2.528 2.268 2.985 . 0 0 "[ . 1 . 2]" 2
23 1 4 GLN HA 1 7 THR H . . 3.610 3.286 2.769 3.583 . 0 0 "[ . 1 . 2]" 2
24 1 4 GLN HA 1 7 THR HB . . 2.870 2.807 2.316 4.517 1.647 10 2 "[ . - + . 2]" 2
25 1 4 GLN HA 1 7 THR HG1 . . 5.500 3.730 1.791 4.202 . 0 0 "[ . 1 . 2]" 2
26 1 4 GLN HA 1 8 ABA H . . 4.040 3.510 3.076 3.821 . 0 0 "[ . 1 . 2]" 2
27 1 4 GLN QG 1 8 ABA H . . 6.000 5.403 5.323 5.464 . 0 0 "[ . 1 . 2]" 2
28 1 6 ILE H 1 6 ILE HA . . 2.770 2.861 2.842 2.880 0.110 11 0 "[ . 1 . 2]" 2
29 1 6 ILE H 1 6 ILE HB . . 2.680 2.812 2.465 3.791 1.111 5 4 "[* *+ 1 . - 2]" 2
30 1 6 ILE H 1 6 ILE HG13 . . 4.290 3.892 2.243 4.752 0.462 16 0 "[ . 1 . 2]" 2
31 1 6 ILE HA 1 9 LEU H . . 4.170 3.383 3.164 3.658 . 0 0 "[ . 1 . 2]" 2
32 1 6 ILE HA 1 9 LEU HB2 . . 3.210 2.425 2.269 2.737 . 0 0 "[ . 1 . 2]" 2
33 1 6 ILE HA 1 10 ABA H . . 4.480 4.515 4.489 4.546 0.066 11 0 "[ . 1 . 2]" 2
34 1 6 ILE HB 1 9 LEU H . . 5.500 5.509 4.990 5.852 0.352 11 0 "[ . 1 . 2]" 2
35 1 6 ILE MG 1 7 THR HA . . 6.530 3.998 3.203 5.727 . 0 0 "[ . 1 . 2]" 2
36 1 7 THR H 1 7 THR HA . . 2.930 2.903 2.880 2.928 . 0 0 "[ . 1 . 2]" 2
37 1 7 THR H 1 7 THR HB . . 2.800 2.753 2.585 3.785 0.985 8 2 "[ . + - . 2]" 2
38 1 7 THR H 1 7 THR HG1 . . 4.350 3.296 2.066 3.491 . 0 0 "[ . 1 . 2]" 2
39 1 7 THR H 1 9 LEU H . . 5.500 4.096 3.976 4.297 . 0 0 "[ . 1 . 2]" 2
40 1 7 THR HA 1 7 THR HB . . 3.020 3.012 2.487 3.073 0.053 16 0 "[ . 1 . 2]" 2
41 1 7 THR HA 1 8 ABA H . . 3.550 3.510 3.491 3.535 . 0 0 "[ . 1 . 2]" 2
42 1 7 THR HA 1 9 LEU H . . 5.500 4.116 4.021 4.272 . 0 0 "[ . 1 . 2]" 2
43 1 7 THR HA 1 10 ABA H . . 3.670 3.124 2.981 3.248 . 0 0 "[ . 1 . 2]" 2
44 1 7 THR HA 1 11 HYP HD23 . . 5.000 4.824 4.643 5.019 0.019 17 0 "[ . 1 . 2]" 2
45 1 7 THR HB 1 8 ABA H . . 2.830 2.928 2.741 3.781 0.951 8 2 "[ . + - . 2]" 2
46 1 7 THR MG 1 8 ABA H . . 6.530 3.729 3.594 4.235 . 0 0 "[ . 1 . 2]" 2
47 1 8 ABA H 1 9 LEU H . . 2.710 2.654 2.582 2.722 0.012 11 0 "[ . 1 . 2]" 2
48 1 8 ABA H 1 10 ABA H . . 3.830 3.922 3.890 3.951 0.121 15 0 "[ . 1 . 2]" 2
49 1 9 LEU H 1 9 LEU HA . . 2.930 2.979 2.970 2.985 0.055 14 0 "[ . 1 . 2]" 2
50 1 9 LEU H 1 9 LEU HB2 . . 2.710 2.314 2.234 2.363 . 0 0 "[ . 1 . 2]" 2
51 1 9 LEU H 1 9 LEU HG . . 4.040 3.456 3.073 4.091 0.051 6 0 "[ . 1 . 2]" 2
52 1 9 LEU H 1 10 ABA H . . 2.710 2.506 2.416 2.672 . 0 0 "[ . 1 . 2]" 2
53 1 9 LEU H 1 11 HYP HD22 . . 5.500 4.183 3.968 4.478 . 0 0 "[ . 1 . 2]" 2
54 1 9 LEU HA 1 11 HYP HD22 . . 4.010 3.547 3.408 3.703 . 0 0 "[ . 1 . 2]" 2
55 1 9 LEU HA 1 12 GLN H . . 4.110 3.329 3.187 3.459 . 0 0 "[ . 1 . 2]" 2
56 1 9 LEU HA 1 12 GLN HB2 . . 3.920 2.428 2.191 2.751 . 0 0 "[ . 1 . 2]" 2
57 1 9 LEU HA 1 12 GLN QG . . 6.380 3.949 3.238 4.528 . 0 0 "[ . 1 . 2]" 2
58 1 9 LEU HB2 1 10 ABA H . . 3.980 3.519 3.411 3.704 . 0 0 "[ . 1 . 2]" 2
59 1 10 ABA H 1 11 HYP HD22 . . 4.040 2.648 2.425 2.852 . 0 0 "[ . 1 . 2]" 2
60 1 10 ABA H 1 11 HYP HD23 . . 3.240 3.287 3.278 3.299 0.059 11 0 "[ . 1 . 2]" 2
61 1 11 HYP HA 1 13 ABA H . . 5.100 3.804 3.703 3.915 . 0 0 "[ . 1 . 2]" 2
62 1 11 HYP HA 1 14 HYP HD23 . . 5.500 3.917 3.756 4.090 . 0 0 "[ . 1 . 2]" 2
63 1 11 HYP HB3 1 12 GLN H . . 3.830 4.422 4.389 4.474 0.644 7 20 [******+***-*********] 2
64 1 11 HYP HD22 1 12 GLN H . . 3.270 2.594 2.405 2.793 . 0 0 "[ . 1 . 2]" 2
65 1 11 HYP HD23 1 12 GLN H . . 5.190 3.910 3.807 4.022 . 0 0 "[ . 1 . 2]" 2
66 1 11 HYP HD23 1 13 ABA H . . 5.500 5.538 5.514 5.573 0.073 9 0 "[ . 1 . 2]" 2
67 1 12 GLN H 1 12 GLN HA . . 2.840 2.947 2.929 2.959 0.119 14 0 "[ . 1 . 2]" 2
68 1 12 GLN H 1 12 GLN HB2 . . 2.900 2.495 2.390 2.704 . 0 0 "[ . 1 . 2]" 2
69 1 12 GLN H 1 13 ABA H . . 2.680 2.657 2.600 2.693 0.013 11 0 "[ . 1 . 2]" 2
70 1 12 GLN HA 1 13 ABA H . . 3.610 3.290 3.161 3.381 . 0 0 "[ . 1 . 2]" 2
71 1 12 GLN HA 1 14 HYP HD22 . . 4.170 3.496 3.325 3.691 . 0 0 "[ . 1 . 2]" 2
72 1 12 GLN HA 1 15 ABA H . . 4.010 3.437 3.183 3.683 . 0 0 "[ . 1 . 2]" 2
73 1 12 GLN HB2 1 13 ABA H . . 4.110 3.939 3.740 4.122 0.012 4 0 "[ . 1 . 2]" 2
74 1 12 GLN QG 1 13 ABA H . . 6.380 4.745 4.624 5.016 . 0 0 "[ . 1 . 2]" 2
75 1 12 GLN QG 1 15 ABA H . . 6.380 5.299 4.847 5.642 . 0 0 "[ . 1 . 2]" 2
76 1 13 ABA H 1 14 HYP HD22 . . 3.760 2.058 1.985 2.128 . 0 0 "[ . 1 . 2]" 2
77 1 13 ABA H 1 14 HYP HD23 . . 2.960 3.006 3.000 3.024 0.064 4 0 "[ . 1 . 2]" 2
78 1 13 ABA H 1 15 ABA H . . 4.790 4.432 4.254 4.573 . 0 0 "[ . 1 . 2]" 2
79 1 14 HYP HB3 1 15 ABA H . . 4.070 4.150 4.103 4.311 0.241 3 0 "[ . 1 . 2]" 2
80 1 14 HYP HD22 1 15 ABA H . . 3.610 3.050 3.000 3.090 . 0 0 "[ . 1 . 2]" 2
81 1 14 HYP HD23 1 15 ABA H . . 4.820 4.136 4.099 4.185 . 0 0 "[ . 1 . 2]" 2
82 1 15 ABA H 1 16 PRO HD3 . . 3.800 3.519 3.276 3.593 . 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 22
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 62.722
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0330
_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 0.315 0.040 1 0 "[ . 1 . 2]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 1.384 0.072 18 0 "[ . 1 . 2]"
1 7 THR 0.291 0.025 8 0 "[ . 1 . 2]"
1 8 ABA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 1.549 0.072 18 0 "[ . 1 . 2]"
1 10 ABA 1.273 0.065 11 0 "[ . 1 . 2]"
1 12 GLN 0.479 0.038 9 0 "[ . 1 . 2]"
1 13 ABA 0.981 0.065 11 0 "[ . 1 . 2]"
1 17 PHL 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 2 TRP O 1 6 ILE H . . 2.300 2.304 2.234 2.340 0.040 1 0 "[ . 1 . 2]" 3
2 1 2 TRP O 1 6 ILE N . 2.800 3.400 3.324 3.248 3.362 . 0 0 "[ . 1 . 2]" 3
3 1 2 TRP C 1 6 ILE H . 2.500 3.600 3.406 3.354 3.445 . 0 0 "[ . 1 . 2]" 3
4 1 3 ILE O 1 7 THR H . . 2.300 2.045 1.882 2.268 . 0 0 "[ . 1 . 2]" 3
5 1 3 ILE O 1 7 THR N . 2.800 3.400 3.033 2.884 3.226 . 0 0 "[ . 1 . 2]" 3
6 1 3 ILE C 1 7 THR H . 2.500 3.600 3.125 2.966 3.275 . 0 0 "[ . 1 . 2]" 3
7 1 4 GLN O 1 8 ABA H . . 2.300 2.203 2.063 2.298 . 0 0 "[ . 1 . 2]" 3
8 1 4 GLN O 1 8 ABA N . 2.800 3.400 3.140 3.012 3.234 . 0 0 "[ . 1 . 2]" 3
9 1 4 GLN C 1 8 ABA H . 2.500 3.600 3.262 3.095 3.387 . 0 0 "[ . 1 . 2]" 3
10 1 6 ILE O 1 9 LEU H . . 2.300 2.353 2.342 2.372 0.072 18 0 "[ . 1 . 2]" 3
11 1 6 ILE O 1 9 LEU N . 2.800 3.400 3.087 3.002 3.142 . 0 0 "[ . 1 . 2]" 3
12 1 6 ILE C 1 9 LEU H . 2.500 3.600 2.799 2.738 2.936 . 0 0 "[ . 1 . 2]" 3
13 1 7 THR O 1 10 ABA H . . 2.300 2.315 2.303 2.325 0.025 8 0 "[ . 1 . 2]" 3
14 1 7 THR O 1 10 ABA N . 2.800 3.400 3.191 3.164 3.215 . 0 0 "[ . 1 . 2]" 3
15 1 7 THR C 1 10 ABA H . 2.500 3.600 2.697 2.648 2.730 . 0 0 "[ . 1 . 2]" 3
16 1 9 LEU O 1 12 GLN H . . 2.300 2.324 2.313 2.338 0.038 9 0 "[ . 1 . 2]" 3
17 1 9 LEU O 1 12 GLN N . 2.800 3.400 3.050 3.011 3.091 . 0 0 "[ . 1 . 2]" 3
18 1 9 LEU C 1 12 GLN H . 2.500 3.600 2.861 2.801 2.911 . 0 0 "[ . 1 . 2]" 3
19 1 10 ABA O 1 13 ABA H . . 2.300 2.349 2.335 2.365 0.065 11 0 "[ . 1 . 2]" 3
20 1 10 ABA O 1 13 ABA N . 2.800 3.400 3.344 3.317 3.369 . 0 0 "[ . 1 . 2]" 3
21 1 10 ABA C 1 13 ABA H . 2.500 3.600 3.000 2.959 3.028 . 0 0 "[ . 1 . 2]" 3
22 1 13 ABA O 1 17 PHL N . 2.800 3.400 3.223 3.184 3.269 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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