NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553789 |
2lyf   |
18723 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lyf
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 104
_Distance_constraint_stats_list.Viol_count 305
_Distance_constraint_stats_list.Viol_total 272.823
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0447
_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 0.534 0.061 13 0 "[ . 1 . 2]"
1 2 PHE 0.348 0.057 12 0 "[ . 1 . 2]"
1 3 CYS 1.249 0.101 4 0 "[ . 1 . 2]"
1 4 ARG 0.457 0.061 2 0 "[ . 1 . 2]"
1 5 CYS 2.213 0.099 7 0 "[ . 1 . 2]"
1 6 LEU 2.588 0.143 3 0 "[ . 1 . 2]"
1 7 CYS 2.987 0.105 20 0 "[ . 1 . 2]"
1 8 ARG 1.223 0.075 9 0 "[ . 1 . 2]"
1 9 ARG 0.921 0.135 14 0 "[ . 1 . 2]"
1 10 GLY 2.049 0.135 14 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 2.446 0.103 20 0 "[ . 1 . 2]"
1 13 ARG 2.466 0.133 19 0 "[ . 1 . 2]"
1 14 CYS 2.760 0.143 3 0 "[ . 1 . 2]"
1 15 ILE 0.025 0.025 5 0 "[ . 1 . 2]"
1 16 CYS 1.506 0.101 4 0 "[ . 1 . 2]"
1 17 THR 0.689 0.073 16 0 "[ . 1 . 2]"
1 18 ARG 0.762 0.061 13 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 1 GLY H1 1 1 GLY HA3 2.350 . 2.900 2.900 2.876 2.933 0.033 5 0 "[ . 1 . 2]" 1
2 1 1 GLY H1 1 1 GLY HA2 2.350 . 2.900 2.341 2.307 2.420 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE H 1 2 PHE HB3 2.565 . 3.330 2.463 2.361 2.631 . 0 0 "[ . 1 . 2]" 1
4 1 2 PHE H 1 2 PHE HB2 2.565 . 3.330 2.857 2.625 3.068 . 0 0 "[ . 1 . 2]" 1
5 1 3 CYS H 1 3 CYS HB2 2.640 . 3.480 2.551 2.475 2.652 . 0 0 "[ . 1 . 2]" 1
6 1 3 CYS H 1 3 CYS HB3 2.890 . 3.980 3.678 3.625 3.739 . 0 0 "[ . 1 . 2]" 1
7 1 5 CYS H 1 5 CYS HB2 2.660 . 3.520 2.598 2.476 2.720 . 0 0 "[ . 1 . 2]" 1
8 1 5 CYS H 1 5 CYS HB3 2.815 . 3.830 3.709 3.650 3.804 . 0 0 "[ . 1 . 2]" 1
9 1 7 CYS H 1 7 CYS HB2 2.510 . 3.220 2.637 2.538 2.751 . 0 0 "[ . 1 . 2]" 1
10 1 7 CYS H 1 7 CYS HB3 2.920 . 4.040 3.735 3.669 3.824 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG H 1 8 ARG HB3 2.260 . 2.720 2.653 2.509 2.759 0.039 9 0 "[ . 1 . 2]" 1
12 1 8 ARG H 1 8 ARG HB2 2.410 . 3.020 3.021 2.759 3.095 0.075 9 0 "[ . 1 . 2]" 1
13 1 10 GLY H 1 10 GLY HA3 2.315 . 2.830 2.886 2.860 2.894 0.064 1 0 "[ . 1 . 2]" 1
14 1 10 GLY H 1 10 GLY HA2 2.315 . 2.830 2.342 2.320 2.369 . 0 0 "[ . 1 . 2]" 1
15 1 11 VAL H 1 11 VAL HB 2.640 . 3.480 2.607 2.416 3.018 . 0 0 "[ . 1 . 2]" 1
16 1 12 CYS H 1 12 CYS HB2 2.490 . 3.180 2.563 2.490 2.644 . 0 0 "[ . 1 . 2]" 1
17 1 12 CYS H 1 12 CYS HB3 2.750 . 3.700 3.676 3.617 3.703 0.003 2 0 "[ . 1 . 2]" 1
18 1 13 ARG H 1 13 ARG HB3 2.610 . 3.420 2.674 2.443 3.553 0.133 19 0 "[ . 1 . 2]" 1
19 1 13 ARG H 1 13 ARG HB2 2.610 . 3.420 3.047 2.371 3.340 . 0 0 "[ . 1 . 2]" 1
20 1 14 CYS H 1 14 CYS HB2 2.415 . 3.030 2.591 2.518 2.728 . 0 0 "[ . 1 . 2]" 1
21 1 14 CYS H 1 14 CYS HB3 2.860 . 3.920 3.714 3.652 3.806 . 0 0 "[ . 1 . 2]" 1
22 1 15 ILE H 1 15 ILE HB 2.520 . 3.240 2.868 2.493 3.265 0.025 5 0 "[ . 1 . 2]" 1
23 1 16 CYS H 1 16 CYS HB2 2.460 . 3.120 2.602 2.504 2.692 . 0 0 "[ . 1 . 2]" 1
24 1 16 CYS H 1 16 CYS HB3 2.935 . 4.070 3.719 3.651 3.797 . 0 0 "[ . 1 . 2]" 1
25 1 17 THR H 1 17 THR HB 2.660 . 3.520 2.765 2.538 3.321 . 0 0 "[ . 1 . 2]" 1
26 1 1 GLY H1 1 18 ARG HA 2.350 . 2.900 2.913 2.832 2.961 0.061 13 0 "[ . 1 . 2]" 1
27 1 1 GLY H1 1 2 PHE H 2.425 . 3.050 2.547 2.448 2.738 . 0 0 "[ . 1 . 2]" 1
28 1 2 PHE HA 1 3 CYS H 2.380 . 2.960 2.158 2.076 2.268 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 17 THR H 2.610 . 3.420 3.252 2.942 3.422 0.002 10 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 4 ARG H 2.255 . 2.710 2.045 1.972 2.137 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HA 1 16 CYS HA 2.195 . 2.590 1.962 1.899 2.041 0.101 4 0 "[ . 1 . 2]" 1
32 1 3 CYS HB3 1 4 ARG H 2.460 . 3.120 3.126 3.011 3.181 0.061 2 0 "[ . 1 . 2]" 1
33 1 4 ARG H 1 16 CYS HA 2.595 . 3.390 3.137 2.796 3.405 0.015 14 0 "[ . 1 . 2]" 1
34 1 4 ARG HA 1 5 CYS H 2.395 . 2.990 2.248 2.150 2.390 . 0 0 "[ . 1 . 2]" 1
35 1 5 CYS HA 1 6 LEU H 2.180 . 2.560 2.038 1.950 2.113 . 0 0 "[ . 1 . 2]" 1
36 1 5 CYS HB3 1 6 LEU H 2.370 . 2.940 2.984 2.807 3.031 0.091 17 0 "[ . 1 . 2]" 1
37 1 5 CYS HA 1 5 CYS HB3 2.350 . 2.900 2.419 2.371 2.474 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU H 1 14 CYS HA 2.255 . 2.710 2.788 2.739 2.853 0.143 3 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 7 CYS H 2.270 . 2.740 2.222 2.126 2.354 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU QB 1 7 CYS H 3.565 . 5.330 3.192 2.750 3.898 . 0 0 "[ . 1 . 2]" 1
41 1 7 CYS HA 1 8 ARG H 2.130 . 2.460 2.138 2.024 2.239 . 0 0 "[ . 1 . 2]" 1
42 1 7 CYS HB3 1 8 ARG H 2.370 . 2.940 2.963 2.879 3.010 0.070 7 0 "[ . 1 . 2]" 1
43 1 9 ARG HA 1 10 GLY H 2.335 . 2.870 2.735 2.522 2.882 0.012 8 0 "[ . 1 . 2]" 1
44 1 8 ARG HA 1 9 ARG H 2.410 . 3.020 2.153 2.099 2.220 . 0 0 "[ . 1 . 2]" 1
45 1 10 GLY H 1 11 VAL H 2.315 . 2.830 2.713 2.547 2.818 . 0 0 "[ . 1 . 2]" 1
46 1 11 VAL HA 1 12 CYS H 2.395 . 2.990 2.177 2.105 2.271 . 0 0 "[ . 1 . 2]" 1
47 1 12 CYS HA 1 13 ARG H 2.180 . 2.560 2.020 1.950 2.107 . 0 0 "[ . 1 . 2]" 1
48 1 7 CYS HA 1 12 CYS HA 2.195 . 2.590 1.937 1.909 1.956 0.091 11 0 "[ . 1 . 2]" 1
49 1 12 CYS HB2 1 13 ARG H 3.000 . 4.200 4.049 4.001 4.123 . 0 0 "[ . 1 . 2]" 1
50 1 12 CYS HB3 1 13 ARG H 2.355 . 2.910 2.969 2.930 3.013 0.103 20 0 "[ . 1 . 2]" 1
51 1 12 CYS HA 1 12 CYS HB3 2.365 . 2.930 2.411 2.364 2.457 . 0 0 "[ . 1 . 2]" 1
52 1 7 CYS HA 1 13 ARG H 2.255 . 2.710 2.767 2.724 2.815 0.105 20 0 "[ . 1 . 2]" 1
53 1 13 ARG HA 1 14 CYS H 2.270 . 2.740 2.213 2.135 2.304 . 0 0 "[ . 1 . 2]" 1
54 1 14 CYS HA 1 15 ILE H 2.255 . 2.710 2.170 2.109 2.224 . 0 0 "[ . 1 . 2]" 1
55 1 5 CYS HA 1 14 CYS HA 2.100 . 2.400 1.940 1.901 1.994 0.099 7 0 "[ . 1 . 2]" 1
56 1 14 CYS HB2 1 15 ILE H 2.955 . 4.110 4.026 3.996 4.075 . 0 0 "[ . 1 . 2]" 1
57 1 14 CYS HB3 1 15 ILE H 2.490 . 3.180 3.054 2.996 3.153 . 0 0 "[ . 1 . 2]" 1
58 1 15 ILE HA 1 16 CYS H 2.380 . 2.960 2.204 2.103 2.292 . 0 0 "[ . 1 . 2]" 1
59 1 16 CYS HA 1 17 THR H 2.195 . 2.590 2.041 1.986 2.086 . 0 0 "[ . 1 . 2]" 1
60 1 16 CYS HB2 1 17 THR H 2.920 . 4.040 4.074 4.048 4.113 0.073 16 0 "[ . 1 . 2]" 1
61 1 16 CYS HB3 1 17 THR H 2.585 . 3.370 3.183 3.100 3.258 . 0 0 "[ . 1 . 2]" 1
62 1 2 PHE H 1 17 THR H 2.610 . 3.420 3.143 2.946 3.377 . 0 0 "[ . 1 . 2]" 1
63 1 17 THR HA 1 18 ARG H 2.380 . 2.960 2.180 2.125 2.252 . 0 0 "[ . 1 . 2]" 1
64 1 4 ARG H 1 4 ARG QG 4.090 . 6.380 3.112 2.019 4.248 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU H 1 6 LEU HG 3.465 . 5.130 3.779 2.396 4.856 . 0 0 "[ . 1 . 2]" 1
66 1 8 ARG H 1 8 ARG QD 4.090 . 6.380 4.801 4.426 5.051 . 0 0 "[ . 1 . 2]" 1
67 1 8 ARG H 1 8 ARG QG 4.090 . 6.380 4.068 4.002 4.161 . 0 0 "[ . 1 . 2]" 1
68 1 9 ARG H 1 9 ARG QD 4.090 . 6.380 4.460 2.722 5.467 . 0 0 "[ . 1 . 2]" 1
69 1 9 ARG H 1 9 ARG QG 4.090 . 6.380 3.301 2.615 4.473 . 0 0 "[ . 1 . 2]" 1
70 1 13 ARG H 1 13 ARG QD 4.090 . 6.380 4.584 4.132 5.229 . 0 0 "[ . 1 . 2]" 1
71 1 13 ARG H 1 13 ARG QG 4.090 . 6.380 4.030 3.145 4.222 . 0 0 "[ . 1 . 2]" 1
72 1 15 ILE H 1 15 ILE QG 4.090 . 6.380 3.424 2.373 4.186 . 0 0 "[ . 1 . 2]" 1
73 1 18 ARG H 1 18 ARG QD 4.090 . 6.380 5.165 4.851 5.428 . 0 0 "[ . 1 . 2]" 1
74 1 18 ARG H 1 18 ARG HG3 3.650 . 5.500 4.300 2.950 4.757 . 0 0 "[ . 1 . 2]" 1
75 1 18 ARG H 1 18 ARG HG2 3.650 . 5.500 4.365 3.552 4.946 . 0 0 "[ . 1 . 2]" 1
76 1 4 ARG H 1 4 ARG HD3 3.650 . 5.500 4.748 4.056 5.308 . 0 0 "[ . 1 . 2]" 1
77 1 4 ARG H 1 4 ARG HD2 3.650 . 5.500 4.891 4.137 5.455 . 0 0 "[ . 1 . 2]" 1
78 1 2 PHE HB3 1 18 ARG HE 2.890 . 3.980 3.884 3.205 4.008 0.028 10 0 "[ . 1 . 2]" 1
79 1 2 PHE HB2 1 18 ARG HE 2.890 . 3.980 3.786 3.147 4.037 0.057 12 0 "[ . 1 . 2]" 1
80 1 8 ARG HA 1 8 ARG QD 4.090 . 6.380 3.765 2.084 4.246 . 0 0 "[ . 1 . 2]" 1
81 1 9 ARG HA 1 9 ARG QD 4.090 . 6.380 3.560 1.965 4.532 . 0 0 "[ . 1 . 2]" 1
82 1 18 ARG HA 1 18 ARG QD 4.090 . 6.380 4.183 4.061 4.331 . 0 0 "[ . 1 . 2]" 1
83 1 18 ARG HB3 1 18 ARG HE 3.650 . 5.500 3.081 1.868 4.643 . 0 0 "[ . 1 . 2]" 1
84 1 18 ARG HB2 1 18 ARG HE 3.650 . 5.500 3.519 1.795 4.573 0.005 8 0 "[ . 1 . 2]" 1
85 1 4 ARG QB 1 4 ARG HE 4.090 . 6.380 3.095 1.916 4.033 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG HB3 1 8 ARG HE 3.650 . 5.500 3.593 2.084 4.734 . 0 0 "[ . 1 . 2]" 1
87 1 8 ARG HB2 1 8 ARG HE 3.650 . 5.500 3.256 1.864 4.521 . 0 0 "[ . 1 . 2]" 1
88 1 13 ARG HB3 1 13 ARG HE 3.650 . 5.500 4.158 2.550 4.751 . 0 0 "[ . 1 . 2]" 1
89 1 13 ARG HB2 1 13 ARG HE 3.650 . 5.500 3.995 2.073 4.637 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU H 1 6 LEU QD 4.700 . 7.600 3.091 1.881 3.974 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE H 1 15 ILE MD 3.755 . 5.710 4.098 2.434 4.732 . 0 0 "[ . 1 . 2]" 1
92 1 17 THR H 1 17 THR MG 3.850 . 5.900 3.801 2.283 3.930 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU QD 1 7 CYS H 4.700 . 7.600 3.433 2.336 4.294 . 0 0 "[ . 1 . 2]" 1
94 1 15 ILE H 1 15 ILE MG 4.050 . 6.300 2.975 2.000 3.848 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE MD 1 16 CYS H 3.850 . 5.900 3.911 2.155 5.224 . 0 0 "[ . 1 . 2]" 1
96 1 1 GLY H1 1 18 ARG QB 3.105 . 4.410 3.828 3.657 4.084 . 0 0 "[ . 1 . 2]" 1
97 1 9 ARG QB 1 9 ARG HE 3.570 . 5.340 3.043 1.926 4.142 . 0 0 "[ . 1 . 2]" 1
98 1 9 ARG QB 1 10 GLY H 2.795 . 3.790 3.835 3.802 3.925 0.135 14 0 "[ . 1 . 2]" 1
99 1 10 GLY H 1 10 GLY QA 2.125 . 2.450 2.246 2.225 2.267 . 0 0 "[ . 1 . 2]" 1
100 1 13 ARG H 1 13 ARG QB 2.370 . 2.940 2.477 2.320 2.668 . 0 0 "[ . 1 . 2]" 1
101 1 17 THR MG 1 18 ARG QG 3.640 . 5.480 3.643 1.910 5.123 . 0 0 "[ . 1 . 2]" 1
102 1 18 ARG H 1 18 ARG QG 3.280 . 4.760 3.819 2.841 4.275 . 0 0 "[ . 1 . 2]" 1
103 1 18 ARG HA 1 18 ARG QB 2.210 . 2.620 2.342 2.177 2.437 . 0 0 "[ . 1 . 2]" 1
104 1 18 ARG HA 1 18 ARG QG 2.710 . 3.620 2.748 2.481 3.399 . 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 16
_Distance_constraint_stats_list.Viol_count 99
_Distance_constraint_stats_list.Viol_total 47.939
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 0.430 0.063 5 0 "[ . 1 . 2]"
1 4 ARG 0.262 0.033 16 0 "[ . 1 . 2]"
1 6 LEU 0.462 0.042 8 0 "[ . 1 . 2]"
1 8 ARG 1.244 0.068 15 0 "[ . 1 . 2]"
1 11 VAL 1.244 0.068 15 0 "[ . 1 . 2]"
1 13 ARG 0.462 0.042 8 0 "[ . 1 . 2]"
1 15 ILE 0.262 0.033 16 0 "[ . 1 . 2]"
1 17 THR 0.430 0.063 5 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 1.986 1.865 2.038 0.038 19 0 "[ . 1 . 2]" 2
2 1 2 PHE N 1 17 THR O 2.400 . 3.000 2.882 2.756 2.951 . 0 0 "[ . 1 . 2]" 2
3 1 2 PHE O 1 17 THR H 1.900 . 2.000 1.805 1.737 1.869 0.063 5 0 "[ . 1 . 2]" 2
4 1 2 PHE O 1 17 THR N 2.400 . 3.000 2.774 2.710 2.844 . 0 0 "[ . 1 . 2]" 2
5 1 4 ARG H 1 15 ILE O 1.900 . 2.000 1.820 1.774 2.000 0.026 3 0 "[ . 1 . 2]" 2
6 1 4 ARG N 1 15 ILE O 2.400 . 3.000 2.796 2.754 2.969 . 0 0 "[ . 1 . 2]" 2
7 1 4 ARG O 1 15 ILE H 1.900 . 2.000 1.813 1.767 1.919 0.033 16 0 "[ . 1 . 2]" 2
8 1 4 ARG O 1 15 ILE N 2.400 . 3.000 2.777 2.719 2.857 . 0 0 "[ . 1 . 2]" 2
9 1 6 LEU H 1 13 ARG O 1.900 . 2.000 1.834 1.765 2.007 0.035 4 0 "[ . 1 . 2]" 2
10 1 6 LEU N 1 13 ARG O 2.400 . 3.000 2.807 2.733 2.972 . 0 0 "[ . 1 . 2]" 2
11 1 6 LEU O 1 13 ARG H 1.900 . 2.000 1.815 1.758 1.976 0.042 8 0 "[ . 1 . 2]" 2
12 1 6 LEU O 1 13 ARG N 2.400 . 3.000 2.784 2.674 2.940 . 0 0 "[ . 1 . 2]" 2
13 1 8 ARG H 1 11 VAL O 1.900 . 2.000 1.771 1.734 1.868 0.066 7 0 "[ . 1 . 2]" 2
14 1 8 ARG N 1 11 VAL O 2.400 . 3.000 2.744 2.682 2.822 . 0 0 "[ . 1 . 2]" 2
15 1 8 ARG O 1 11 VAL H 1.900 . 2.000 2.025 1.914 2.068 0.068 15 0 "[ . 1 . 2]" 2
16 1 8 ARG O 1 11 VAL N 2.400 . 3.000 2.934 2.846 2.977 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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