NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558804 |
2m2h   |
18914 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2h
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 101
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 1030.000
_Distance_constraint_stats_list.Viol_max 1.350
_Distance_constraint_stats_list.Viol_rms 0.1302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0255
_Distance_constraint_stats_list.Viol_average_violations_only 0.2077
_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 GLY 1.688 0.886 15 2 "[ . -1 + 2]"
1 2 VAL 3.621 1.051 15 4 "[ *. *1 + -]"
1 3 ABA 1.330 0.536 3 1 "[ + . 1 . 2]"
1 4 ARG 0.238 0.238 3 0 "[ . 1 . 2]"
1 5 CYS 1.319 0.099 10 0 "[ . 1 . 2]"
1 6 VAL 6.180 1.350 3 4 "[ + .* 1* . -2]"
1 7 ABA 23.804 1.313 3 12 "[**+ - **1** .****2]"
1 8 ARG 11.893 1.313 3 12 "[**+ - **1** .****2]"
1 9 ARG 0.378 0.077 20 0 "[ . 1 . 2]"
1 10 GLY 5.859 1.139 18 3 "[ . 1 .-*+ 2]"
1 11 VAL 7.432 1.005 11 9 "[* - *1+* .****2]"
1 12 ABA 5.981 1.350 3 4 "[ + .* 1* . -2]"
1 13 ARG 1.625 0.446 11 0 "[ . 1 . 2]"
1 14 CYS 1.328 0.099 10 0 "[ . 1 . 2]"
1 15 VAL 2.839 0.536 3 1 "[ + . 1 . 2]"
1 16 ABA 15.391 1.260 2 7 "[ + *. -1* * * *]"
1 17 ARG 8.541 1.260 2 7 "[ + -. *1* * * *]"
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 10 GLY H 1 10 GLY HA3 2.240 . 2.680 2.808 2.777 2.839 0.159 7 0 "[ . 1 . 2]" 1
2 1 10 GLY H 1 10 GLY HA2 2.240 . 2.680 2.279 2.242 2.326 . 0 0 "[ . 1 . 2]" 1
3 1 11 VAL H 1 11 VAL HB 2.580 . 3.360 2.556 2.482 2.642 . 0 0 "[ . 1 . 2]" 1
4 1 12 ABA H 1 12 ABA HB3 2.550 . 3.300 2.551 2.462 3.441 0.141 3 0 "[ . 1 . 2]" 1
5 1 12 ABA H 1 12 ABA HB2 2.550 . 3.300 2.699 2.227 2.977 . 0 0 "[ . 1 . 2]" 1
6 1 5 CYS H 1 5 CYS HB2 2.765 . 3.730 2.526 2.461 2.768 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL H 1 6 VAL HB 2.505 . 3.210 2.700 2.568 3.255 0.045 14 0 "[ . 1 . 2]" 1
8 1 7 ABA H 1 7 ABA HB3 2.720 . 3.640 3.121 2.513 3.688 0.048 16 0 "[ . 1 . 2]" 1
9 1 7 ABA H 1 7 ABA HB2 2.720 . 3.640 2.908 2.449 3.673 0.033 14 0 "[ . 1 . 2]" 1
10 1 9 ARG H 1 9 ARG HA 2.195 . 2.590 2.233 2.203 2.259 . 0 0 "[ . 1 . 2]" 1
11 1 9 ARG H 1 9 ARG HB2 2.970 . 4.140 3.040 2.948 3.130 . 0 0 "[ . 1 . 2]" 1
12 1 9 ARG H 1 9 ARG HB3 2.920 . 4.040 3.609 3.523 3.692 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 11 VAL H 2.910 2.100 3.720 3.343 3.008 3.631 . 0 0 "[ . 1 . 2]" 1
14 1 10 GLY H 1 11 VAL H 2.425 . 3.050 2.794 2.629 2.999 . 0 0 "[ . 1 . 2]" 1
15 1 9 ARG HA 1 10 GLY H 2.225 . 2.650 2.635 2.457 2.727 0.077 20 0 "[ . 1 . 2]" 1
16 1 8 ARG H 1 11 VAL HB 2.830 . 3.860 3.541 3.110 3.891 0.031 10 0 "[ . 1 . 2]" 1
17 1 11 VAL HA 1 12 ABA H 2.100 . 2.400 2.136 2.097 2.175 . 0 0 "[ . 1 . 2]" 1
18 1 12 ABA HA 1 13 ARG H 2.195 . 2.590 2.119 2.069 2.196 . 0 0 "[ . 1 . 2]" 1
19 1 5 CYS HA 1 6 VAL H 2.225 . 2.650 2.029 1.953 2.102 . 0 0 "[ . 1 . 2]" 1
20 1 7 ABA HA 1 13 ARG H 2.970 . 4.140 3.225 2.761 3.670 . 0 0 "[ . 1 . 2]" 1
21 1 4 ARG HA 1 5 CYS H 2.395 . 2.990 2.157 2.092 2.440 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG H 1 5 CYS H 3.650 . 5.500 4.291 4.169 4.414 . 0 0 "[ . 1 . 2]" 1
23 1 5 CYS HB2 1 6 VAL H 3.000 . 4.200 4.209 4.117 4.251 0.051 18 0 "[ . 1 . 2]" 1
24 1 5 CYS HB3 1 6 VAL H 2.595 . 3.390 3.372 3.232 3.447 0.057 3 0 "[ . 1 . 2]" 1
25 1 5 CYS HA 1 5 CYS HB3 2.365 . 2.930 2.436 2.376 2.483 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL HA 1 7 ABA H 2.145 . 2.490 2.133 2.003 2.320 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL HB 1 7 ABA H 2.845 . 3.890 3.953 3.815 4.000 0.110 20 0 "[ . 1 . 2]" 1
28 1 7 ABA HA 1 8 ARG H 2.380 . 2.960 2.110 2.024 2.196 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG HA 1 9 ARG H 2.145 . 2.490 2.107 2.025 2.180 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG QB 1 9 ARG H 3.440 . 5.080 3.662 3.046 3.978 . 0 0 "[ . 1 . 2]" 1
31 1 9 ARG H 1 10 GLY H 2.505 . 3.210 2.734 2.503 2.915 . 0 0 "[ . 1 . 2]" 1
32 1 9 ARG HA 1 9 ARG HB2 2.335 . 2.870 2.527 2.478 2.581 . 0 0 "[ . 1 . 2]" 1
33 1 13 ARG H 1 13 ARG QD 4.090 . 6.380 4.391 3.653 4.908 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG H 1 8 ARG QD 4.090 . 6.380 4.385 3.792 5.176 . 0 0 "[ . 1 . 2]" 1
35 1 9 ARG H 1 9 ARG QD 4.090 . 6.380 4.768 3.730 5.456 . 0 0 "[ . 1 . 2]" 1
36 1 9 ARG H 1 9 ARG QG 3.795 . 5.790 4.273 4.075 4.545 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG QB 1 5 CYS H 4.090 . 6.380 3.562 2.371 3.907 . 0 0 "[ . 1 . 2]" 1
38 1 12 ABA H 1 12 ABA HG1 4.160 . 6.520 4.491 3.682 4.727 . 0 0 "[ . 1 . 2]" 1
39 1 7 ABA H 1 7 ABA HG1 4.130 . 6.460 3.655 2.050 4.799 . 0 0 "[ . 1 . 2]" 1
40 1 10 GLY H 1 11 VAL QG 4.700 . 7.600 4.412 4.247 4.619 . 0 0 "[ . 1 . 2]" 1
41 1 7 ABA HG1 1 11 VAL H 4.160 . 6.520 6.024 3.545 7.525 1.005 11 9 "[* - *1+* .****2]" 1
42 1 11 VAL QG 1 12 ABA H 4.330 . 6.860 2.922 2.595 3.162 . 0 0 "[ . 1 . 2]" 1
43 1 12 ABA HG1 1 13 ARG H 3.385 . 4.970 4.198 3.179 5.416 0.446 11 0 "[ . 1 . 2]" 1
44 1 5 CYS HB2 1 12 ABA HG1 4.460 2.100 6.820 4.519 3.507 5.568 . 0 0 "[ . 1 . 2]" 1
45 1 5 CYS HB3 1 12 ABA HG1 4.160 . 6.520 3.127 2.282 4.377 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 12 ABA HG1 3.745 2.100 5.390 5.034 4.055 6.740 1.350 3 4 "[ + .* 1* . -2]" 1
47 1 7 ABA H 1 11 VAL QG 4.670 . 7.540 6.649 6.309 6.881 . 0 0 "[ . 1 . 2]" 1
48 1 7 ABA HG1 1 8 ARG H 3.150 . 4.500 4.875 3.535 5.813 1.313 3 12 "[**+ - **1** .****2]" 1
49 1 7 ABA H 1 7 ABA HB2 2.460 . 3.120 2.538 2.257 2.929 . 0 0 "[ . 1 . 2]" 1
50 1 7 ABA HG1 1 10 GLY QA 4.045 . 6.290 5.041 2.145 7.429 1.139 18 3 "[ . 1 .-*+ 2]" 1
51 1 8 ARG H 1 8 ARG QG 2.975 . 4.150 3.276 2.090 4.162 0.012 13 0 "[ . 1 . 2]" 1
52 1 12 ABA H 1 12 ABA HB2 2.340 . 2.880 2.307 2.201 2.397 . 0 0 "[ . 1 . 2]" 1
53 1 13 ARG H 1 13 ARG QG 3.175 . 4.550 3.447 2.051 4.209 . 0 0 "[ . 1 . 2]" 1
54 1 2 VAL H 1 2 VAL HB 2.580 . 3.360 2.538 2.500 2.574 . 0 0 "[ . 1 . 2]" 1
55 1 3 ABA H 1 3 ABA HB3 2.550 . 3.300 2.497 2.448 2.570 . 0 0 "[ . 1 . 2]" 1
56 1 3 ABA H 1 3 ABA HB2 2.550 . 3.300 2.772 2.581 3.489 0.189 19 0 "[ . 1 . 2]" 1
57 1 14 CYS H 1 14 CYS HB2 2.765 . 3.730 2.545 2.462 2.658 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL H 1 15 VAL HB 2.505 . 3.210 2.787 2.603 3.231 0.021 17 0 "[ . 1 . 2]" 1
59 1 16 ABA H 1 16 ABA HB3 2.720 . 3.640 3.234 2.454 3.687 0.047 15 0 "[ . 1 . 2]" 1
60 1 16 ABA H 1 16 ABA HB2 2.720 . 3.640 2.792 2.467 3.665 0.025 12 0 "[ . 1 . 2]" 1
61 1 18 ARG H 1 18 ARG HA 2.195 . 2.590 2.236 2.211 2.258 . 0 0 "[ . 1 . 2]" 1
62 1 18 ARG H 1 18 ARG HB2 2.970 . 4.140 3.051 2.933 3.135 . 0 0 "[ . 1 . 2]" 1
63 1 18 ARG H 1 18 ARG HB3 2.920 . 4.040 3.603 3.483 3.732 . 0 0 "[ . 1 . 2]" 1
64 1 2 VAL H 1 17 ARG H 2.910 2.100 3.720 3.292 3.008 3.627 . 0 0 "[ . 1 . 2]" 1
65 1 2 VAL HB 1 17 ARG H 2.830 . 3.860 3.482 3.126 3.884 0.024 13 0 "[ . 1 . 2]" 1
66 1 2 VAL HA 1 3 ABA H 2.100 . 2.400 2.123 2.053 2.263 . 0 0 "[ . 1 . 2]" 1
67 1 3 ABA HA 1 4 ARG H 2.195 . 2.590 2.111 2.048 2.190 . 0 0 "[ . 1 . 2]" 1
68 1 14 CYS HA 1 15 VAL H 2.225 . 2.650 2.041 1.945 2.172 . 0 0 "[ . 1 . 2]" 1
69 1 4 ARG H 1 16 ABA HA 2.970 . 4.140 3.324 3.000 3.727 . 0 0 "[ . 1 . 2]" 1
70 1 13 ARG HA 1 14 CYS H 2.395 . 2.990 2.166 2.090 2.323 . 0 0 "[ . 1 . 2]" 1
71 1 13 ARG H 1 14 CYS H 3.650 . 5.500 4.287 3.990 4.455 . 0 0 "[ . 1 . 2]" 1
72 1 14 CYS HB2 1 15 VAL H 3.000 . 4.200 4.196 4.077 4.238 0.038 5 0 "[ . 1 . 2]" 1
73 1 14 CYS HB3 1 15 VAL H 2.595 . 3.390 3.359 3.132 3.460 0.070 14 0 "[ . 1 . 2]" 1
74 1 14 CYS HA 1 14 CYS HB3 2.365 . 2.930 2.435 2.384 2.490 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL HA 1 16 ABA H 2.145 . 2.490 2.132 2.040 2.256 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL HB 1 16 ABA H 2.845 . 3.890 3.956 3.908 4.022 0.132 9 0 "[ . 1 . 2]" 1
77 1 16 ABA HA 1 17 ARG H 2.380 . 2.960 2.113 2.051 2.212 . 0 0 "[ . 1 . 2]" 1
78 1 17 ARG HA 1 18 ARG H 2.145 . 2.490 2.119 2.059 2.187 . 0 0 "[ . 1 . 2]" 1
79 1 17 ARG QB 1 18 ARG H 3.440 . 5.080 3.736 3.442 3.975 . 0 0 "[ . 1 . 2]" 1
80 1 18 ARG HA 1 18 ARG HB2 2.335 . 2.870 2.517 2.466 2.612 . 0 0 "[ . 1 . 2]" 1
81 1 4 ARG H 1 4 ARG QD 4.090 . 6.380 4.499 3.584 5.128 . 0 0 "[ . 1 . 2]" 1
82 1 17 ARG H 1 17 ARG QD 4.090 . 6.380 4.517 3.693 5.154 . 0 0 "[ . 1 . 2]" 1
83 1 18 ARG H 1 18 ARG QD 4.090 . 6.380 4.723 3.804 5.523 . 0 0 "[ . 1 . 2]" 1
84 1 18 ARG H 1 18 ARG QG 3.795 . 5.790 4.276 3.931 4.533 . 0 0 "[ . 1 . 2]" 1
85 1 13 ARG QB 1 14 CYS H 4.090 . 6.380 3.526 2.544 3.937 . 0 0 "[ . 1 . 2]" 1
86 1 3 ABA H 1 3 ABA HG1 4.160 . 6.520 4.495 3.408 4.709 . 0 0 "[ . 1 . 2]" 1
87 1 16 ABA H 1 16 ABA HG1 4.130 . 6.460 3.760 2.505 4.865 . 0 0 "[ . 1 . 2]" 1
88 1 2 VAL H 1 16 ABA HG1 4.160 . 6.520 6.006 4.069 7.571 1.051 15 4 "[ *. *1 + -]" 1
89 1 2 VAL QG 1 3 ABA H 4.330 . 6.860 2.973 2.797 3.154 . 0 0 "[ . 1 . 2]" 1
90 1 3 ABA HG1 1 4 ARG H 3.385 . 4.970 3.940 3.188 5.208 0.238 3 0 "[ . 1 . 2]" 1
91 1 3 ABA HG1 1 14 CYS HB2 4.460 2.100 6.820 4.003 3.299 5.348 . 0 0 "[ . 1 . 2]" 1
92 1 3 ABA HG1 1 14 CYS HB3 4.160 . 6.520 2.663 2.086 4.039 . 0 0 "[ . 1 . 2]" 1
93 1 3 ABA HG1 1 15 VAL H 3.745 2.100 5.390 4.620 3.920 5.926 0.536 3 1 "[ + . 1 . 2]" 1
94 1 2 VAL QG 1 16 ABA H 4.670 . 7.540 6.652 6.442 7.058 . 0 0 "[ . 1 . 2]" 1
95 1 16 ABA HG1 1 17 ARG H 3.150 . 4.500 4.825 3.495 5.760 1.260 2 7 "[ + -. *1* * * *]" 1
96 1 16 ABA H 1 16 ABA HB2 2.460 . 3.120 2.503 2.285 2.936 . 0 0 "[ . 1 . 2]" 1
97 1 1 GLY QA 1 16 ABA HG1 4.045 . 6.290 4.948 3.266 7.176 0.886 15 2 "[ . -1 + 2]" 1
98 1 17 ARG H 1 17 ARG QG 2.975 . 4.150 3.513 2.636 4.142 . 0 0 "[ . 1 . 2]" 1
99 1 3 ABA H 1 3 ABA HB2 2.340 . 2.880 2.317 2.251 2.414 . 0 0 "[ . 1 . 2]" 1
100 1 4 ARG H 1 4 ARG QG 3.175 . 4.550 3.515 2.117 4.159 . 0 0 "[ . 1 . 2]" 1
101 1 5 CYS HA 1 14 CYS HA 2.180 . 102.180 1.965 1.901 2.038 0.099 10 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 83
_Distance_constraint_stats_list.Viol_total 35.228
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0212
_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 0.750 0.059 3 0 "[ . 1 . 2]"
1 4 ARG 0.159 0.033 6 0 "[ . 1 . 2]"
1 6 VAL 0.230 0.045 5 0 "[ . 1 . 2]"
1 8 ARG 0.623 0.050 4 0 "[ . 1 . 2]"
1 11 VAL 0.623 0.050 4 0 "[ . 1 . 2]"
1 13 ARG 0.230 0.045 5 0 "[ . 1 . 2]"
1 15 VAL 0.159 0.033 6 0 "[ . 1 . 2]"
1 17 ARG 0.750 0.059 3 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 2.024 1.920 2.059 0.059 3 0 "[ . 1 . 2]" 2
2 1 2 VAL N 1 17 ARG O 2.400 . 3.000 2.930 2.845 2.979 . 0 0 "[ . 1 . 2]" 2
3 1 2 VAL O 1 17 ARG H 1.900 . 2.000 1.824 1.766 1.961 0.034 13 0 "[ . 1 . 2]" 2
4 1 2 VAL O 1 17 ARG N 2.400 . 3.000 2.775 2.716 2.882 . 0 0 "[ . 1 . 2]" 2
5 1 4 ARG H 1 15 VAL O 1.900 . 2.000 1.828 1.767 1.989 0.033 6 0 "[ . 1 . 2]" 2
6 1 4 ARG N 1 15 VAL O 2.400 . 3.000 2.783 2.732 2.902 . 0 0 "[ . 1 . 2]" 2
7 1 4 ARG O 1 15 VAL H 1.900 . 2.000 1.849 1.782 1.931 0.018 3 0 "[ . 1 . 2]" 2
8 1 4 ARG O 1 15 VAL N 2.400 . 3.000 2.811 2.745 2.897 . 0 0 "[ . 1 . 2]" 2
9 1 6 VAL H 1 13 ARG O 1.900 . 2.000 1.838 1.771 2.016 0.029 18 0 "[ . 1 . 2]" 2
10 1 6 VAL N 1 13 ARG O 2.400 . 3.000 2.806 2.744 2.993 . 0 0 "[ . 1 . 2]" 2
11 1 6 VAL O 1 13 ARG H 1.900 . 2.000 1.860 1.755 2.028 0.045 5 0 "[ . 1 . 2]" 2
12 1 6 VAL O 1 13 ARG N 2.400 . 3.000 2.803 2.711 2.946 . 0 0 "[ . 1 . 2]" 2
13 1 8 ARG H 1 11 VAL O 1.900 . 2.000 1.852 1.760 2.008 0.040 1 0 "[ . 1 . 2]" 2
14 1 8 ARG N 1 11 VAL O 2.400 . 3.000 2.775 2.641 2.893 . 0 0 "[ . 1 . 2]" 2
15 1 8 ARG O 1 11 VAL H 1.900 . 2.000 2.025 1.981 2.050 0.050 4 0 "[ . 1 . 2]" 2
16 1 8 ARG O 1 11 VAL N 2.400 . 3.000 2.934 2.895 2.972 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 7:01:11 AM GMT (wattos1)