NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558676 |
2m1p   |
18875 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1p
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 102
_Distance_constraint_stats_list.Viol_count 272
_Distance_constraint_stats_list.Viol_total 276.250
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0508
_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 VAL 1.107 0.102 17 0 "[ . 1 . 2]"
1 3 CYS 2.578 0.116 10 0 "[ . 1 . 2]"
1 4 ARG 2.338 0.152 5 0 "[ . 1 . 2]"
1 5 ABA 0.507 0.259 13 0 "[ . 1 . 2]"
1 6 VAL 0.153 0.044 16 0 "[ . 1 . 2]"
1 7 CYS 3.500 0.174 20 0 "[ . 1 . 2]"
1 8 ARG 2.214 0.118 5 0 "[ . 1 . 2]"
1 9 ARG 0.408 0.065 4 0 "[ . 1 . 2]"
1 10 GLY 0.594 0.065 4 0 "[ . 1 . 2]"
1 11 VAL 1.292 0.088 7 0 "[ . 1 . 2]"
1 12 CYS 3.495 0.259 13 0 "[ . 1 . 2]"
1 13 ARG 2.286 0.174 20 0 "[ . 1 . 2]"
1 14 ABA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.074 0.028 9 0 "[ . 1 . 2]"
1 16 CYS 3.326 0.152 5 0 "[ . 1 . 2]"
1 17 ARG 1.946 0.102 17 0 "[ . 1 . 2]"
1 18 ARG 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 11 VAL H 1 11 VAL HB 2.750 . 3.700 2.585 2.529 2.684 . 0 0 "[ . 1 . 2]" 1
2 1 9 ARG H 1 9 ARG HA 2.225 . 2.650 2.244 2.206 2.266 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG H 1 8 ARG QB 2.975 . 4.150 2.885 2.477 3.296 . 0 0 "[ . 1 . 2]" 1
4 1 7 CYS H 1 7 CYS HB2 2.830 . 3.860 2.611 2.381 2.739 . 0 0 "[ . 1 . 2]" 1
5 1 12 CYS H 1 12 CYS QB 2.705 . 3.610 2.456 2.324 2.518 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL H 1 6 VAL HB 2.765 . 3.730 3.168 2.458 3.774 0.044 16 0 "[ . 1 . 2]" 1
7 1 5 ABA H 1 5 ABA HB2 2.835 . 3.870 2.418 2.274 2.790 . 0 0 "[ . 1 . 2]" 1
8 1 13 ARG H 1 13 ARG HB2 2.520 . 3.240 2.984 2.750 3.211 . 0 0 "[ . 1 . 2]" 1
9 1 13 ARG H 1 13 ARG HB3 2.380 . 2.960 2.573 2.292 2.710 . 0 0 "[ . 1 . 2]" 1
10 1 10 GLY H 1 11 VAL H 2.180 . 2.560 2.557 2.487 2.595 0.035 14 0 "[ . 1 . 2]" 1
11 1 9 ARG HA 1 10 GLY H 2.300 . 2.800 2.794 2.622 2.865 0.065 4 0 "[ . 1 . 2]" 1
12 1 11 VAL HA 1 12 CYS H 2.270 . 2.740 2.159 2.102 2.217 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 11 VAL HB 3.200 . 4.600 3.517 3.239 3.937 . 0 0 "[ . 1 . 2]" 1
14 1 12 CYS HA 1 13 ARG H 2.145 . 2.490 1.969 1.827 2.045 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 12 CYS HA 2.485 . 3.170 3.222 3.190 3.288 0.118 5 0 "[ . 1 . 2]" 1
16 1 7 CYS HA 1 12 CYS HA 2.100 . 2.400 1.903 1.866 1.944 0.134 5 0 "[ . 1 . 2]" 1
17 1 12 CYS HA 1 12 CYS QB 2.380 . 2.960 2.353 2.310 2.459 . 0 0 "[ . 1 . 2]" 1
18 1 12 CYS QB 1 13 ARG H 2.905 . 3.580 3.039 2.939 3.190 . 0 0 "[ . 1 . 2]" 1
19 1 7 CYS HA 1 13 ARG H 2.285 . 2.770 2.842 2.664 2.944 0.174 20 0 "[ . 1 . 2]" 1
20 1 4 ARG HA 1 5 ABA H 2.100 . 2.400 2.161 2.113 2.230 . 0 0 "[ . 1 . 2]" 1
21 1 5 ABA HA 1 6 VAL H 2.300 . 2.800 2.109 2.029 2.195 . 0 0 "[ . 1 . 2]" 1
22 1 5 ABA HB2 1 6 VAL H 4.090 . 6.380 3.758 3.311 3.997 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL H 1 13 ARG H 2.815 . 3.830 3.336 3.178 3.585 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL HA 1 7 CYS H 2.335 . 2.870 2.195 2.048 2.441 . 0 0 "[ . 1 . 2]" 1
25 1 7 CYS HA 1 8 ARG H 2.160 . 2.520 2.105 2.003 2.203 . 0 0 "[ . 1 . 2]" 1
26 1 7 CYS HB2 1 8 ARG H 2.985 . 4.170 4.052 3.898 4.161 . 0 0 "[ . 1 . 2]" 1
27 1 7 CYS HB3 1 8 ARG H 2.625 . 3.450 3.104 2.953 3.304 . 0 0 "[ . 1 . 2]" 1
28 1 7 CYS HA 1 7 CYS HB3 2.395 . 2.990 2.454 2.412 2.677 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG H 1 11 VAL H 2.315 . 2.830 2.885 2.841 2.918 0.088 7 0 "[ . 1 . 2]" 1
30 1 8 ARG HA 1 9 ARG H 2.145 . 2.490 2.099 2.026 2.155 . 0 0 "[ . 1 . 2]" 1
31 1 9 ARG H 1 10 GLY H 2.640 . 3.480 2.612 2.443 2.925 . 0 0 "[ . 1 . 2]" 1
32 1 9 ARG HA 1 9 ARG HB2 2.410 . 3.020 2.528 2.454 2.577 . 0 0 "[ . 1 . 2]" 1
33 1 9 ARG H 1 9 ARG QD 4.090 . 6.380 4.918 3.845 5.508 . 0 0 "[ . 1 . 2]" 1
34 1 9 ARG H 1 9 ARG QG 3.985 . 6.170 4.244 4.092 4.517 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG H 1 8 ARG QD 4.090 . 6.380 4.345 4.005 4.771 . 0 0 "[ . 1 . 2]" 1
36 1 13 ARG H 1 13 ARG QD 4.090 . 6.380 4.534 4.345 5.048 . 0 0 "[ . 1 . 2]" 1
37 1 9 ARG HA 1 9 ARG HE 3.650 . 5.500 4.475 2.539 5.384 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG HA 1 8 ARG HE 3.650 . 5.500 4.415 3.276 5.205 . 0 0 "[ . 1 . 2]" 1
39 1 13 ARG HA 1 13 ARG HE 3.650 . 5.500 4.013 1.895 4.973 . 0 0 "[ . 1 . 2]" 1
40 1 13 ARG H 1 13 ARG HG2 3.325 . 4.850 4.791 4.601 4.875 0.025 19 0 "[ . 1 . 2]" 1
41 1 13 ARG H 1 13 ARG HG3 3.325 . 4.850 4.407 4.225 4.547 . 0 0 "[ . 1 . 2]" 1
42 1 13 ARG HB3 1 13 ARG HG2 2.100 . 2.400 2.398 2.332 2.426 0.026 4 0 "[ . 1 . 2]" 1
43 1 13 ARG HB3 1 13 ARG HG3 2.100 . 2.400 2.425 2.399 2.457 0.057 11 0 "[ . 1 . 2]" 1
44 1 5 ABA H 1 5 ABA HG1 3.615 . 5.430 4.059 2.123 4.853 . 0 0 "[ . 1 . 2]" 1
45 1 8 ARG H 1 11 VAL QG 4.190 . 6.580 3.943 3.777 4.150 . 0 0 "[ . 1 . 2]" 1
46 1 11 VAL QG 1 12 CYS H 4.700 . 7.600 2.870 2.621 3.071 . 0 0 "[ . 1 . 2]" 1
47 1 5 ABA HG1 1 6 VAL H 4.160 . 6.520 4.549 3.327 5.765 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL QG 1 7 CYS H 4.700 . 7.600 3.046 2.438 3.553 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL QG 1 13 ARG H 4.700 . 7.600 3.491 2.930 4.248 . 0 0 "[ . 1 . 2]" 1
50 1 5 ABA HG1 1 12 CYS QB 4.160 . 5.310 3.632 2.407 5.569 0.259 13 0 "[ . 1 . 2]" 1
51 1 8 ARG H 1 8 ARG QG 2.515 . 3.230 2.773 2.251 3.279 0.049 5 0 "[ . 1 . 2]" 1
52 1 10 GLY H 1 10 GLY QA 2.105 . 2.410 2.234 2.216 2.275 . 0 0 "[ . 1 . 2]" 1
53 1 13 ARG H 1 13 ARG QG 2.975 . 4.150 4.072 3.907 4.154 0.004 20 0 "[ . 1 . 2]" 1
54 1 2 VAL H 1 2 VAL HB 2.750 . 3.700 2.612 2.517 2.726 . 0 0 "[ . 1 . 2]" 1
55 1 18 ARG H 1 18 ARG HA 2.225 . 2.650 2.245 2.195 2.270 . 0 0 "[ . 1 . 2]" 1
56 1 17 ARG H 1 17 ARG QB 2.975 . 4.150 3.029 2.546 3.350 . 0 0 "[ . 1 . 2]" 1
57 1 16 CYS H 1 16 CYS HB2 2.830 . 3.860 2.604 2.546 2.737 . 0 0 "[ . 1 . 2]" 1
58 1 3 CYS H 1 3 CYS QB 2.705 . 3.610 2.461 2.404 2.495 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL H 1 15 VAL HB 2.765 . 3.730 3.140 2.473 3.758 0.028 9 0 "[ . 1 . 2]" 1
60 1 14 ABA H 1 14 ABA HB2 2.835 . 3.870 2.361 2.266 2.958 . 0 0 "[ . 1 . 2]" 1
61 1 4 ARG H 1 4 ARG HB2 2.520 . 3.240 2.980 2.773 3.142 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG H 1 4 ARG HB3 2.380 . 2.960 2.558 2.405 2.673 . 0 0 "[ . 1 . 2]" 1
63 1 2 VAL HA 1 3 CYS H 2.270 . 2.740 2.159 2.132 2.199 . 0 0 "[ . 1 . 2]" 1
64 1 2 VAL HB 1 17 ARG H 3.200 . 4.600 3.624 3.269 3.956 . 0 0 "[ . 1 . 2]" 1
65 1 3 CYS HA 1 4 ARG H 2.145 . 2.490 1.974 1.860 2.057 . 0 0 "[ . 1 . 2]" 1
66 1 3 CYS HA 1 17 ARG H 2.485 . 3.170 3.209 3.130 3.260 0.090 15 0 "[ . 1 . 2]" 1
67 1 3 CYS HA 1 16 CYS HA 2.100 . 2.400 1.912 1.884 1.943 0.116 10 0 "[ . 1 . 2]" 1
68 1 3 CYS HA 1 3 CYS QB 2.380 . 2.960 2.353 2.314 2.373 . 0 0 "[ . 1 . 2]" 1
69 1 3 CYS QB 1 4 ARG H 2.905 . 3.580 3.037 2.928 3.175 . 0 0 "[ . 1 . 2]" 1
70 1 4 ARG H 1 16 CYS HA 2.285 . 2.770 2.848 2.780 2.922 0.152 5 0 "[ . 1 . 2]" 1
71 1 13 ARG HA 1 14 ABA H 2.100 . 2.400 2.155 2.091 2.209 . 0 0 "[ . 1 . 2]" 1
72 1 14 ABA HA 1 15 VAL H 2.300 . 2.800 2.117 1.997 2.219 . 0 0 "[ . 1 . 2]" 1
73 1 14 ABA HB2 1 15 VAL H 4.090 . 6.380 3.853 3.217 4.002 . 0 0 "[ . 1 . 2]" 1
74 1 4 ARG H 1 15 VAL H 2.815 . 3.830 3.335 3.056 3.548 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL HA 1 16 CYS H 2.335 . 2.870 2.178 2.090 2.288 . 0 0 "[ . 1 . 2]" 1
76 1 16 CYS HA 1 17 ARG H 2.160 . 2.520 2.134 1.991 2.211 . 0 0 "[ . 1 . 2]" 1
77 1 16 CYS HB2 1 17 ARG H 2.985 . 4.170 4.079 3.912 4.183 0.013 7 0 "[ . 1 . 2]" 1
78 1 16 CYS HB3 1 17 ARG H 2.625 . 3.450 3.120 2.875 3.298 . 0 0 "[ . 1 . 2]" 1
79 1 16 CYS HA 1 16 CYS HB3 2.395 . 2.990 2.461 2.418 2.489 . 0 0 "[ . 1 . 2]" 1
80 1 2 VAL H 1 17 ARG H 2.315 . 2.830 2.885 2.863 2.932 0.102 17 0 "[ . 1 . 2]" 1
81 1 17 ARG HA 1 18 ARG H 2.145 . 2.490 2.106 2.029 2.183 . 0 0 "[ . 1 . 2]" 1
82 1 18 ARG HA 1 18 ARG HB2 2.410 . 3.020 2.528 2.472 2.592 . 0 0 "[ . 1 . 2]" 1
83 1 18 ARG H 1 18 ARG QD 4.090 . 6.380 4.837 3.846 5.403 . 0 0 "[ . 1 . 2]" 1
84 1 18 ARG H 1 18 ARG QG 3.985 . 6.170 4.257 4.027 4.571 . 0 0 "[ . 1 . 2]" 1
85 1 17 ARG H 1 17 ARG QD 4.090 . 6.380 4.382 3.911 4.708 . 0 0 "[ . 1 . 2]" 1
86 1 4 ARG H 1 4 ARG QD 4.090 . 6.380 4.584 4.288 4.895 . 0 0 "[ . 1 . 2]" 1
87 1 18 ARG HA 1 18 ARG HE 3.650 . 5.500 4.525 2.574 5.260 . 0 0 "[ . 1 . 2]" 1
88 1 17 ARG HA 1 17 ARG HE 3.650 . 5.500 4.556 3.678 5.073 . 0 0 "[ . 1 . 2]" 1
89 1 4 ARG HA 1 4 ARG HE 3.650 . 5.500 3.813 2.091 4.859 . 0 0 "[ . 1 . 2]" 1
90 1 4 ARG H 1 4 ARG HG2 3.325 . 4.850 4.779 4.660 4.873 0.023 5 0 "[ . 1 . 2]" 1
91 1 4 ARG H 1 4 ARG HG3 3.325 . 4.850 4.397 4.281 4.498 . 0 0 "[ . 1 . 2]" 1
92 1 4 ARG HB3 1 4 ARG HG2 2.100 . 2.400 2.388 2.279 2.435 0.035 6 0 "[ . 1 . 2]" 1
93 1 4 ARG HB3 1 4 ARG HG3 2.100 . 2.400 2.431 2.389 2.486 0.086 3 0 "[ . 1 . 2]" 1
94 1 14 ABA H 1 14 ABA HG1 3.615 . 5.430 4.482 2.227 4.806 . 0 0 "[ . 1 . 2]" 1
95 1 2 VAL QG 1 17 ARG H 4.190 . 6.580 4.008 3.803 4.182 . 0 0 "[ . 1 . 2]" 1
96 1 2 VAL QG 1 3 CYS H 4.700 . 7.600 2.796 2.553 3.082 . 0 0 "[ . 1 . 2]" 1
97 1 14 ABA HG1 1 15 VAL H 4.160 . 6.520 4.184 3.135 5.379 . 0 0 "[ . 1 . 2]" 1
98 1 15 VAL QG 1 16 CYS H 4.700 . 7.600 3.073 2.471 3.594 . 0 0 "[ . 1 . 2]" 1
99 1 4 ARG H 1 15 VAL QG 4.700 . 7.600 3.559 3.131 4.241 . 0 0 "[ . 1 . 2]" 1
100 1 3 CYS QB 1 14 ABA HG1 4.160 . 5.310 2.900 2.344 5.277 . 0 0 "[ . 1 . 2]" 1
101 1 17 ARG H 1 17 ARG QG 2.515 . 3.230 2.611 2.195 3.123 . 0 0 "[ . 1 . 2]" 1
102 1 4 ARG H 1 4 ARG QG 2.975 . 4.150 4.062 3.966 4.151 0.001 5 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 16
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 36.466
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_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 VAL 0.455 0.044 17 0 "[ . 1 . 2]"
1 4 ARG 0.485 0.057 8 0 "[ . 1 . 2]"
1 6 VAL 0.420 0.067 20 0 "[ . 1 . 2]"
1 8 ARG 0.463 0.045 17 0 "[ . 1 . 2]"
1 11 VAL 0.463 0.045 17 0 "[ . 1 . 2]"
1 13 ARG 0.420 0.067 20 0 "[ . 1 . 2]"
1 15 VAL 0.485 0.057 8 0 "[ . 1 . 2]"
1 17 ARG 0.455 0.044 17 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 VAL H 1 17 ARG O 1.900 . 2.000 1.966 1.870 2.024 0.024 1 0 "[ . 1 . 2]" 2
2 1 2 VAL N 1 17 ARG O 2.400 . 3.000 2.893 2.798 2.945 . 0 0 "[ . 1 . 2]" 2
3 1 2 VAL O 1 17 ARG H 1.900 . 2.000 1.787 1.756 1.860 0.044 17 0 "[ . 1 . 2]" 2
4 1 2 VAL O 1 17 ARG N 2.400 . 3.000 2.765 2.724 2.840 . 0 0 "[ . 1 . 2]" 2
5 1 4 ARG H 1 15 VAL O 1.900 . 2.000 1.785 1.743 1.862 0.057 8 0 "[ . 1 . 2]" 2
6 1 4 ARG N 1 15 VAL O 2.400 . 3.000 2.755 2.695 2.827 . 0 0 "[ . 1 . 2]" 2
7 1 4 ARG O 1 15 VAL H 1.900 . 2.000 1.876 1.780 2.000 0.020 4 0 "[ . 1 . 2]" 2
8 1 4 ARG O 1 15 VAL N 2.400 . 3.000 2.804 2.712 2.910 . 0 0 "[ . 1 . 2]" 2
9 1 6 VAL H 1 13 ARG O 1.900 . 2.000 1.895 1.786 2.056 0.056 16 0 "[ . 1 . 2]" 2
10 1 6 VAL N 1 13 ARG O 2.400 . 3.000 2.814 2.713 2.912 . 0 0 "[ . 1 . 2]" 2
11 1 6 VAL O 1 13 ARG H 1.900 . 2.000 1.796 1.733 1.847 0.067 20 0 "[ . 1 . 2]" 2
12 1 6 VAL O 1 13 ARG N 2.400 . 3.000 2.766 2.705 2.823 . 0 0 "[ . 1 . 2]" 2
13 1 8 ARG H 1 11 VAL O 1.900 . 2.000 1.785 1.755 1.849 0.045 17 0 "[ . 1 . 2]" 2
14 1 8 ARG N 1 11 VAL O 2.400 . 3.000 2.762 2.719 2.826 . 0 0 "[ . 1 . 2]" 2
15 1 8 ARG O 1 11 VAL H 1.900 . 2.000 1.987 1.871 2.023 0.023 13 0 "[ . 1 . 2]" 2
16 1 8 ARG O 1 11 VAL N 2.400 . 3.000 2.905 2.805 2.954 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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