NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572420 |
2m78   |
19176 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m78
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 103
_Distance_constraint_stats_list.Viol_count 321
_Distance_constraint_stats_list.Viol_total 386.896
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0263
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 PHE 0.758 0.105 3 0 "[ . 1 . 2]"
1 3 CYS 2.616 0.113 19 0 "[ . 1 . 2]"
1 4 ARG 1.003 0.109 4 0 "[ . 1 . 2]"
1 5 CYS 5.274 0.158 4 0 "[ . 1 . 2]"
1 6 LEU 2.103 0.128 20 0 "[ . 1 . 2]"
1 7 CYS 2.020 0.107 3 0 "[ . 1 . 2]"
1 8 ARG 0.093 0.024 2 0 "[ . 1 . 2]"
1 9 ARG 0.049 0.049 8 0 "[ . 1 . 2]"
1 10 GLY 0.049 0.049 8 0 "[ . 1 . 2]"
1 11 ASP 0.003 0.003 3 0 "[ . 1 . 2]"
1 12 CYS 3.218 0.142 7 0 "[ . 1 . 2]"
1 13 ARG 2.530 0.142 7 0 "[ . 1 . 2]"
1 14 CYS 4.936 0.158 4 0 "[ . 1 . 2]"
1 15 ILE 2.890 0.140 20 0 "[ . 1 . 2]"
1 16 CYS 2.229 0.116 12 0 "[ . 1 . 2]"
1 17 THR 3.090 0.159 3 0 "[ . 1 . 2]"
1 18 ARG 3.262 0.159 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 17 THR H 1 17 THR HB 2.675 . 3.550 3.138 2.816 3.618 0.068 19 0 "[ . 1 . 2]" 1
2 1 18 ARG H 1 18 ARG HA 2.255 . 2.710 2.240 2.199 2.289 . 0 0 "[ . 1 . 2]" 1
3 1 18 ARG H 1 18 ARG HB3 2.860 . 3.920 3.619 3.474 3.737 . 0 0 "[ . 1 . 2]" 1
4 1 18 ARG H 1 18 ARG HB2 2.970 . 4.140 2.988 2.673 3.187 . 0 0 "[ . 1 . 2]" 1
5 1 2 PHE H 1 2 PHE HB3 2.520 . 3.240 2.536 2.368 2.681 . 0 0 "[ . 1 . 2]" 1
6 1 2 PHE H 1 2 PHE HB2 2.520 . 3.240 2.924 2.688 3.183 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 3 CYS HB3 2.905 . 4.010 3.739 3.643 3.825 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 3 CYS HB2 2.550 . 3.300 2.611 2.428 2.759 . 0 0 "[ . 1 . 2]" 1
9 1 5 CYS H 1 5 CYS HB2 2.270 . 2.740 2.597 2.493 2.713 . 0 0 "[ . 1 . 2]" 1
10 1 5 CYS H 1 5 CYS HB3 2.735 . 3.670 3.698 3.660 3.723 0.053 7 0 "[ . 1 . 2]" 1
11 1 7 CYS H 1 7 CYS HB3 2.815 . 3.830 3.734 3.655 3.833 0.003 8 0 "[ . 1 . 2]" 1
12 1 7 CYS H 1 7 CYS HB2 2.270 . 2.740 2.609 2.485 2.749 0.009 8 0 "[ . 1 . 2]" 1
13 1 9 ARG H 1 9 ARG HA 2.255 . 2.710 2.246 2.216 2.293 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG H 1 9 ARG HB2 2.955 . 4.110 3.061 2.930 3.208 . 0 0 "[ . 1 . 2]" 1
15 1 9 ARG H 1 9 ARG HB3 2.845 . 3.890 3.609 3.545 3.683 . 0 0 "[ . 1 . 2]" 1
16 1 11 ASP H 1 11 ASP HB3 2.565 . 3.330 2.463 2.304 2.582 . 0 0 "[ . 1 . 2]" 1
17 1 11 ASP H 1 11 ASP HB2 2.565 . 3.330 2.846 2.691 3.089 . 0 0 "[ . 1 . 2]" 1
18 1 12 CYS H 1 12 CYS HB2 2.535 . 3.270 2.549 2.471 2.650 . 0 0 "[ . 1 . 2]" 1
19 1 12 CYS H 1 12 CYS HB3 2.845 . 3.890 3.670 3.631 3.708 . 0 0 "[ . 1 . 2]" 1
20 1 14 CYS H 1 14 CYS HB2 2.285 . 2.770 2.622 2.422 2.757 . 0 0 "[ . 1 . 2]" 1
21 1 14 CYS H 1 14 CYS HB3 2.780 . 3.760 3.727 3.601 3.803 0.043 14 0 "[ . 1 . 2]" 1
22 1 15 ILE H 1 15 ILE HB 2.455 . 3.110 2.734 2.518 3.163 0.053 18 0 "[ . 1 . 2]" 1
23 1 16 CYS H 1 16 CYS HB2 2.535 . 3.270 2.606 2.436 2.716 . 0 0 "[ . 1 . 2]" 1
24 1 16 CYS H 1 16 CYS HB3 2.875 . 3.950 3.718 3.628 3.795 . 0 0 "[ . 1 . 2]" 1
25 1 2 PHE H 1 17 THR H 2.610 . 3.420 3.060 2.878 3.399 . 0 0 "[ . 1 . 2]" 1
26 1 2 PHE HA 1 3 CYS H 2.285 . 2.770 2.184 2.052 2.311 . 0 0 "[ . 1 . 2]" 1
27 1 2 PHE HB3 1 3 CYS H 2.985 . 4.170 4.044 3.912 4.179 0.009 12 0 "[ . 1 . 2]" 1
28 1 2 PHE HB2 1 3 CYS H 2.985 . 4.170 4.140 4.019 4.191 0.021 13 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 17 THR H 2.625 . 3.450 3.329 2.893 3.479 0.029 12 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 4 ARG H 2.130 . 2.460 2.048 1.843 2.150 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HA 1 16 CYS HA 2.240 2.050 2.680 2.012 1.937 2.110 0.113 19 0 "[ . 1 . 2]" 1
32 1 3 CYS HB3 1 4 ARG H 2.565 . 3.330 3.062 2.862 3.306 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HB2 1 4 ARG H 2.890 . 3.980 4.022 3.880 4.089 0.109 4 0 "[ . 1 . 2]" 1
34 1 4 ARG H 1 15 ILE H 2.690 . 3.580 3.202 3.035 3.370 . 0 0 "[ . 1 . 2]" 1
35 1 4 ARG H 1 16 CYS HA 2.625 . 3.450 3.249 2.844 3.508 0.058 6 0 "[ . 1 . 2]" 1
36 1 4 ARG HA 1 5 CYS H 2.240 . 2.680 2.282 2.136 2.470 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG QB 1 5 CYS H 3.315 . 4.830 3.310 2.793 3.803 . 0 0 "[ . 1 . 2]" 1
38 1 5 CYS HA 1 6 LEU H 2.130 . 2.460 2.169 2.008 2.335 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS HA 1 15 ILE H 2.240 . 2.680 2.743 2.682 2.820 0.140 20 0 "[ . 1 . 2]" 1
40 1 5 CYS HB2 1 6 LEU H 2.765 . 3.730 3.785 3.742 3.858 0.128 20 0 "[ . 1 . 2]" 1
41 1 5 CYS HB3 1 6 LEU H 2.580 . 3.360 2.712 2.553 2.917 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU H 1 14 CYS HA 2.315 . 2.830 2.879 2.802 2.945 0.115 7 0 "[ . 1 . 2]" 1
43 1 6 LEU HA 1 7 CYS H 2.100 . 2.400 2.208 2.121 2.366 . 0 0 "[ . 1 . 2]" 1
44 1 7 CYS HA 1 8 ARG H 2.180 . 2.560 2.070 1.960 2.141 . 0 0 "[ . 1 . 2]" 1
45 1 7 CYS HA 1 13 ARG H 2.535 . 3.270 3.259 3.005 3.346 0.076 15 0 "[ . 1 . 2]" 1
46 1 7 CYS HA 1 12 CYS HA 2.300 2.050 2.800 1.985 1.943 2.025 0.107 3 0 "[ . 1 . 2]" 1
47 1 7 CYS HB3 1 8 ARG H 2.640 . 3.480 3.342 3.071 3.504 0.024 2 0 "[ . 1 . 2]" 1
48 1 8 ARG H 1 11 ASP H 2.625 . 3.450 3.208 2.899 3.453 0.003 3 0 "[ . 1 . 2]" 1
49 1 8 ARG QB 1 9 ARG H 3.470 . 5.140 3.704 2.933 4.013 . 0 0 "[ . 1 . 2]" 1
50 1 9 ARG H 1 10 GLY H 2.625 . 3.450 2.699 2.546 2.899 . 0 0 "[ . 1 . 2]" 1
51 1 8 ARG HA 1 9 ARG H 2.225 . 2.650 2.153 2.018 2.282 . 0 0 "[ . 1 . 2]" 1
52 1 9 ARG HA 1 10 GLY H 2.425 . 3.050 2.781 2.553 3.099 0.049 8 0 "[ . 1 . 2]" 1
53 1 10 GLY H 1 11 ASP H 2.550 . 3.300 2.646 2.318 2.930 . 0 0 "[ . 1 . 2]" 1
54 1 11 ASP HA 1 12 CYS H 2.300 . 2.800 2.138 2.084 2.214 . 0 0 "[ . 1 . 2]" 1
55 1 12 CYS HB2 1 13 ARG H 2.815 . 3.830 3.926 3.884 3.972 0.142 7 0 "[ . 1 . 2]" 1
56 1 12 CYS HB3 1 13 ARG H 2.595 . 3.390 2.973 2.793 3.186 . 0 0 "[ . 1 . 2]" 1
57 1 13 ARG HA 1 14 CYS H 2.145 . 2.490 2.298 2.175 2.496 0.006 1 0 "[ . 1 . 2]" 1
58 1 13 ARG QB 1 14 CYS H 3.315 . 4.830 3.251 2.383 3.875 . 0 0 "[ . 1 . 2]" 1
59 1 14 CYS HA 1 15 ILE H 2.195 . 2.590 2.084 1.927 2.242 . 0 0 "[ . 1 . 2]" 1
60 1 14 CYS HB2 1 15 ILE H 2.815 . 3.830 3.904 3.849 3.950 0.120 4 0 "[ . 1 . 2]" 1
61 1 14 CYS HB3 1 15 ILE H 2.595 . 3.390 2.873 2.758 3.012 . 0 0 "[ . 1 . 2]" 1
62 1 15 ILE HA 1 16 CYS H 2.210 . 2.620 2.179 2.112 2.281 . 0 0 "[ . 1 . 2]" 1
63 1 16 CYS HA 1 17 THR H 2.145 . 2.490 2.068 1.905 2.169 . 0 0 "[ . 1 . 2]" 1
64 1 16 CYS HB2 1 17 THR H 2.830 . 3.860 3.927 3.878 3.976 0.116 12 0 "[ . 1 . 2]" 1
65 1 16 CYS HB3 1 17 THR H 2.675 . 3.550 2.962 2.831 3.175 . 0 0 "[ . 1 . 2]" 1
66 1 17 THR HA 1 18 ARG H 2.225 . 2.650 2.140 1.994 2.269 . 0 0 "[ . 1 . 2]" 1
67 1 17 THR HB 1 18 ARG H 2.815 . 3.830 3.907 3.752 3.989 0.159 3 0 "[ . 1 . 2]" 1
68 1 18 ARG H 1 18 ARG QD 4.090 . 6.380 5.057 3.496 5.486 . 0 0 "[ . 1 . 2]" 1
69 1 18 ARG H 1 18 ARG HG3 3.230 . 4.660 4.436 4.231 4.698 0.038 11 0 "[ . 1 . 2]" 1
70 1 18 ARG H 1 18 ARG HG2 3.230 . 4.660 4.739 4.693 4.797 0.137 5 0 "[ . 1 . 2]" 1
71 1 4 ARG H 1 4 ARG QD 4.090 . 6.380 4.461 3.426 5.213 . 0 0 "[ . 1 . 2]" 1
72 1 4 ARG H 1 4 ARG QG 3.920 . 6.040 3.258 2.144 4.150 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 6 LEU HG 3.650 . 5.500 3.927 2.336 4.859 . 0 0 "[ . 1 . 2]" 1
74 1 8 ARG H 1 8 ARG QD 4.090 . 6.380 4.552 3.809 5.058 . 0 0 "[ . 1 . 2]" 1
75 1 8 ARG H 1 8 ARG HG3 3.650 . 5.500 3.877 2.625 4.761 . 0 0 "[ . 1 . 2]" 1
76 1 8 ARG H 1 8 ARG HG2 3.650 . 5.500 4.085 2.769 4.741 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG H 1 9 ARG QD 4.090 . 6.380 4.820 3.875 5.425 . 0 0 "[ . 1 . 2]" 1
78 1 9 ARG H 1 9 ARG QG 3.690 . 5.580 4.265 4.026 4.547 . 0 0 "[ . 1 . 2]" 1
79 1 13 ARG H 1 13 ARG QD 4.090 . 6.380 4.627 4.065 5.338 . 0 0 "[ . 1 . 2]" 1
80 1 13 ARG H 1 13 ARG QG 4.015 . 6.230 3.519 2.245 4.209 . 0 0 "[ . 1 . 2]" 1
81 1 15 ILE H 1 15 ILE HG13 3.650 . 5.500 3.893 2.462 4.719 . 0 0 "[ . 1 . 2]" 1
82 1 15 ILE H 1 15 ILE HG12 3.650 . 5.500 3.800 2.523 4.979 . 0 0 "[ . 1 . 2]" 1
83 1 2 PHE H 1 18 ARG HB3 3.650 . 5.500 3.536 3.107 4.283 . 0 0 "[ . 1 . 2]" 1
84 1 4 ARG QD 1 5 CYS H 4.090 . 6.380 4.465 2.365 5.764 . 0 0 "[ . 1 . 2]" 1
85 1 4 ARG QG 1 5 CYS H 3.810 . 5.820 3.481 2.334 4.514 . 0 0 "[ . 1 . 2]" 1
86 1 9 ARG HA 1 9 ARG QD 4.090 . 6.380 3.487 2.018 4.250 . 0 0 "[ . 1 . 2]" 1
87 1 13 ARG QG 1 14 CYS H 4.090 . 6.380 3.178 2.428 4.433 . 0 0 "[ . 1 . 2]" 1
88 1 18 ARG HA 1 18 ARG QD 4.090 . 6.380 3.885 1.880 4.212 . 0 0 "[ . 1 . 2]" 1
89 1 17 THR H 1 17 THR MG 3.740 . 5.680 3.489 2.382 4.003 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU H 1 6 LEU QD 4.700 . 7.600 3.466 1.933 4.027 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE H 1 15 ILE MG 3.630 . 5.460 3.418 2.073 3.877 . 0 0 "[ . 1 . 2]" 1
92 1 15 ILE H 1 15 ILE MD 3.635 . 5.470 3.680 2.443 4.718 . 0 0 "[ . 1 . 2]" 1
93 1 4 ARG H 1 15 ILE MG 4.115 . 6.430 4.053 3.086 4.591 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU QD 1 7 CYS H 4.700 . 7.600 2.989 2.161 4.009 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE MG 1 16 CYS H 3.570 . 5.340 3.125 2.535 4.246 . 0 0 "[ . 1 . 2]" 1
96 1 15 ILE MD 1 16 CYS H 3.635 . 5.470 4.143 2.153 5.389 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE HA 1 15 ILE MD 3.620 . 5.440 2.854 2.077 3.899 . 0 0 "[ . 1 . 2]" 1
98 1 17 THR MG 1 18 ARG H 3.880 . 5.960 3.053 2.356 4.164 . 0 0 "[ . 1 . 2]" 1
99 1 2 PHE QB 1 3 CYS H 2.705 . 3.610 3.642 3.590 3.715 0.105 3 0 "[ . 1 . 2]" 1
100 1 10 GLY H 1 10 GLY QA 2.180 . 2.560 2.269 2.232 2.334 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE H 1 15 ILE QG 3.265 . 4.730 3.239 2.427 4.177 . 0 0 "[ . 1 . 2]" 1
102 1 18 ARG HA 1 18 ARG QG 2.675 . 3.550 2.444 2.341 2.829 . 0 0 "[ . 1 . 2]" 1
103 1 5 CYS HA 1 14 CYS HA 2.300 2.050 102.300 1.933 1.892 1.970 0.158 4 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 75
_Distance_constraint_stats_list.Viol_total 31.548
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0210
_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 PHE 0.431 0.042 19 0 "[ . 1 . 2]"
1 4 ARG 0.217 0.028 11 0 "[ . 1 . 2]"
1 6 LEU 0.208 0.046 16 0 "[ . 1 . 2]"
1 8 ARG 0.721 0.070 18 0 "[ . 1 . 2]"
1 11 ASP 0.721 0.070 18 0 "[ . 1 . 2]"
1 13 ARG 0.208 0.046 16 0 "[ . 1 . 2]"
1 15 ILE 0.217 0.028 11 0 "[ . 1 . 2]"
1 17 THR 0.431 0.042 19 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 PHE H 1 17 THR O 1.900 . 2.000 1.992 1.890 2.042 0.042 19 0 "[ . 1 . 2]" 2
2 1 2 PHE N 1 17 THR O 2.400 . 3.000 2.910 2.806 2.984 . 0 0 "[ . 1 . 2]" 2
3 1 2 PHE O 1 17 THR H 1.900 . 2.000 1.827 1.764 1.944 0.036 2 0 "[ . 1 . 2]" 2
4 1 2 PHE O 1 17 THR N 2.400 . 3.000 2.793 2.723 2.911 . 0 0 "[ . 1 . 2]" 2
5 1 4 ARG H 1 15 ILE O 1.900 . 2.000 1.894 1.779 1.986 0.021 20 0 "[ . 1 . 2]" 2
6 1 4 ARG N 1 15 ILE O 2.400 . 3.000 2.857 2.755 2.925 . 0 0 "[ . 1 . 2]" 2
7 1 4 ARG O 1 15 ILE H 1.900 . 2.000 1.828 1.772 2.013 0.028 11 0 "[ . 1 . 2]" 2
8 1 4 ARG O 1 15 ILE N 2.400 . 3.000 2.792 2.725 2.972 . 0 0 "[ . 1 . 2]" 2
9 1 6 LEU H 1 13 ARG O 1.900 . 2.000 1.831 1.754 1.931 0.046 16 0 "[ . 1 . 2]" 2
10 1 6 LEU N 1 13 ARG O 2.400 . 3.000 2.811 2.734 2.906 . 0 0 "[ . 1 . 2]" 2
11 1 6 LEU O 1 13 ARG H 1.900 . 2.000 1.871 1.768 2.022 0.032 8 0 "[ . 1 . 2]" 2
12 1 6 LEU O 1 13 ARG N 2.400 . 3.000 2.840 2.747 2.977 . 0 0 "[ . 1 . 2]" 2
13 1 8 ARG H 1 11 ASP O 1.900 . 2.000 1.828 1.757 2.001 0.043 9 0 "[ . 1 . 2]" 2
14 1 8 ARG N 1 11 ASP O 2.400 . 3.000 2.792 2.736 2.986 . 0 0 "[ . 1 . 2]" 2
15 1 8 ARG O 1 11 ASP H 1.900 . 2.000 2.019 1.852 2.070 0.070 18 0 "[ . 1 . 2]" 2
16 1 8 ARG O 1 11 ASP N 2.400 . 3.000 2.926 2.751 2.990 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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