NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553808 |
2lzi   |
18757 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lzi
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 117
_Distance_constraint_stats_list.Viol_count 376
_Distance_constraint_stats_list.Viol_total 393.552
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0238
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0523
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 2.369 0.119 19 0 "[ . 1 . 2]"
1 3 CYS 4.049 0.135 19 0 "[ . 1 . 2]"
1 4 ARG 1.505 0.135 19 0 "[ . 1 . 2]"
1 5 CYS 2.445 0.121 15 0 "[ . 1 . 2]"
1 6 ILE 2.471 0.114 18 0 "[ . 1 . 2]"
1 7 CYS 1.541 0.114 18 0 "[ . 1 . 2]"
1 8 GLY 1.438 0.088 1 0 "[ . 1 . 2]"
1 9 ARG 1.436 0.099 11 0 "[ . 1 . 2]"
1 10 ARG 1.933 0.166 15 0 "[ . 1 . 2]"
1 11 ILE 3.245 0.166 15 0 "[ . 1 . 2]"
1 12 CYS 3.625 0.146 1 0 "[ . 1 . 2]"
1 13 ARG 2.009 0.123 18 0 "[ . 1 . 2]"
1 14 CYS 2.607 0.099 14 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.808 0.111 6 0 "[ . 1 . 2]"
1 17 GLY 0.763 0.077 6 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 1 GLY H1 1 2 ILE H 2.705 . 3.610 2.728 2.268 3.065 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE H 1 17 GLY H 2.640 . 3.480 3.493 3.296 3.557 0.077 6 0 "[ . 1 . 2]" 1
3 1 10 ARG H 1 11 ILE H 2.625 . 3.450 1.840 1.769 2.122 0.031 11 0 "[ . 1 . 2]" 1
4 1 10 ARG HA 1 11 ILE H 2.520 . 3.240 3.306 3.204 3.406 0.166 15 0 "[ . 1 . 2]" 1
5 1 10 ARG QB 1 11 ILE H 3.190 . 4.580 3.234 2.080 3.934 . 0 0 "[ . 1 . 2]" 1
6 1 11 ILE H 1 11 ILE HB 2.395 . 2.990 2.674 2.543 2.827 . 0 0 "[ . 1 . 2]" 1
7 1 11 ILE HA 1 12 CYS H 2.180 . 2.560 2.234 2.118 2.321 . 0 0 "[ . 1 . 2]" 1
8 1 12 CYS H 1 12 CYS HB2 2.860 . 3.920 2.808 2.715 2.897 . 0 0 "[ . 1 . 2]" 1
9 1 12 CYS HA 1 13 ARG H 2.130 . 2.460 2.265 2.193 2.443 . 0 0 "[ . 1 . 2]" 1
10 1 12 CYS HB2 1 13 ARG H 2.595 . 3.390 3.475 3.433 3.513 0.123 18 0 "[ . 1 . 2]" 1
11 1 12 CYS HB3 1 13 ARG H 2.595 . 3.390 2.400 2.206 2.576 . 0 0 "[ . 1 . 2]" 1
12 1 13 ARG H 1 13 ARG QB 2.975 . 4.150 2.710 2.459 3.283 . 0 0 "[ . 1 . 2]" 1
13 1 13 ARG HA 1 14 CYS H 2.100 . 2.400 2.164 2.081 2.225 . 0 0 "[ . 1 . 2]" 1
14 1 14 CYS H 1 14 CYS HB2 2.640 . 3.480 2.400 2.353 2.476 . 0 0 "[ . 1 . 2]" 1
15 1 14 CYS H 1 14 CYS HB3 2.640 . 3.480 3.562 3.544 3.579 0.099 14 0 "[ . 1 . 2]" 1
16 1 13 ARG QB 1 14 CYS H 3.255 . 4.710 3.625 2.986 3.995 . 0 0 "[ . 1 . 2]" 1
17 1 14 CYS HA 1 15 ILE H 2.100 . 2.400 2.064 1.980 2.157 . 0 0 "[ . 1 . 2]" 1
18 1 1 GLY H1 1 18 ARG H 2.985 . 4.170 3.337 2.051 3.918 . 0 0 "[ . 1 . 2]" 1
19 1 1 GLY H1 1 18 ARG HA 2.535 . 3.270 2.445 2.092 3.126 . 0 0 "[ . 1 . 2]" 1
20 1 15 ILE HA 1 16 CYS H 2.350 . 2.900 2.166 2.046 2.311 . 0 0 "[ . 1 . 2]" 1
21 1 16 CYS HA 1 17 GLY H 2.195 . 2.590 2.175 2.053 2.542 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLY HA2 1 9 ARG H 2.520 . 3.240 3.265 3.125 3.324 0.084 19 0 "[ . 1 . 2]" 1
23 1 8 GLY HA3 1 9 ARG H 2.520 . 3.240 2.096 2.042 2.197 . 0 0 "[ . 1 . 2]" 1
24 1 7 CYS HA 1 8 GLY H 2.240 . 2.680 2.187 2.101 2.319 . 0 0 "[ . 1 . 2]" 1
25 1 7 CYS H 1 7 CYS HB3 2.765 . 3.730 3.745 3.670 3.774 0.044 15 0 "[ . 1 . 2]" 1
26 1 7 CYS H 1 7 CYS HB2 2.765 . 3.730 2.626 2.498 2.727 . 0 0 "[ . 1 . 2]" 1
27 1 7 CYS HB2 1 8 GLY H 2.890 . 3.980 3.914 3.707 4.027 0.047 11 0 "[ . 1 . 2]" 1
28 1 7 CYS HB3 1 8 GLY H 2.890 . 3.980 2.822 2.492 3.049 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HA 1 7 CYS H 2.210 . 2.620 2.245 2.110 2.368 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE H 1 6 ILE HA 2.285 . 2.770 2.860 2.839 2.879 0.109 8 0 "[ . 1 . 2]" 1
31 1 5 CYS HA 1 6 ILE H 2.100 . 2.400 2.085 2.007 2.169 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG HA 1 5 CYS H 2.100 . 2.400 2.181 2.134 2.264 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS H 1 3 CYS HB3 2.765 . 3.730 3.742 3.636 3.784 0.054 12 0 "[ . 1 . 2]" 1
34 1 3 CYS H 1 3 CYS HB2 2.765 . 3.730 2.668 2.530 2.796 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HA 1 4 ARG H 2.145 . 2.490 2.154 2.019 2.237 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS HB2 1 4 ARG H 2.720 . 3.640 3.714 3.681 3.775 0.135 19 0 "[ . 1 . 2]" 1
37 1 3 CYS HB3 1 4 ARG H 2.720 . 3.640 2.701 2.484 2.932 . 0 0 "[ . 1 . 2]" 1
38 1 2 ILE HA 1 3 CYS H 2.195 . 2.590 2.239 2.104 2.375 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS H 1 6 ILE H 3.110 . 4.420 4.166 4.067 4.302 . 0 0 "[ . 1 . 2]" 1
40 1 4 ARG H 1 5 CYS H 3.075 . 4.350 4.178 3.872 4.296 . 0 0 "[ . 1 . 2]" 1
41 1 9 ARG H 1 10 ARG H 2.890 . 3.980 2.490 2.065 3.015 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLY H 1 11 ILE H 2.970 . 4.140 3.508 2.982 4.144 0.004 4 0 "[ . 1 . 2]" 1
43 1 2 ILE H 1 2 ILE HB 2.440 . 3.080 2.794 2.511 3.159 0.079 2 0 "[ . 1 . 2]" 1
44 1 2 ILE HB 1 3 CYS H 2.795 . 3.790 3.846 3.757 3.909 0.119 19 0 "[ . 1 . 2]" 1
45 1 4 ARG H 1 4 ARG QB 2.960 . 4.120 2.565 2.246 3.217 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG QB 1 5 CYS H 3.255 . 4.710 3.630 2.930 3.986 . 0 0 "[ . 1 . 2]" 1
47 1 5 CYS H 1 5 CYS HB3 2.640 . 3.480 3.561 3.536 3.601 0.121 15 0 "[ . 1 . 2]" 1
48 1 5 CYS H 1 5 CYS HB2 2.640 . 3.480 2.402 2.338 2.469 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE HB 1 7 CYS H 2.905 . 4.010 3.304 2.632 4.124 0.114 18 0 "[ . 1 . 2]" 1
50 1 9 ARG H 1 9 ARG HB2 2.690 . 3.580 2.860 2.368 3.679 0.099 11 0 "[ . 1 . 2]" 1
51 1 9 ARG H 1 9 ARG HB3 2.690 . 3.580 3.167 2.531 3.670 0.090 15 0 "[ . 1 . 2]" 1
52 1 11 ILE HB 1 12 CYS H 2.705 . 3.610 3.696 3.635 3.756 0.146 1 0 "[ . 1 . 2]" 1
53 1 12 CYS H 1 12 CYS HB3 2.860 . 3.920 3.834 3.779 3.894 . 0 0 "[ . 1 . 2]" 1
54 1 3 CYS HA 1 16 CYS HA 2.380 . 2.960 1.992 1.889 2.162 0.111 6 0 "[ . 1 . 2]" 1
55 1 4 ARG H 1 16 CYS HA 2.705 . 3.610 3.389 3.015 3.620 0.010 16 0 "[ . 1 . 2]" 1
56 1 6 ILE H 1 7 CYS H 3.110 . 4.420 4.414 4.256 4.468 0.048 7 0 "[ . 1 . 2]" 1
57 1 14 CYS H 1 15 ILE H 3.110 . 4.420 4.139 4.036 4.329 . 0 0 "[ . 1 . 2]" 1
58 1 2 ILE H 1 3 CYS H 3.075 . 4.350 4.330 4.164 4.389 0.039 8 0 "[ . 1 . 2]" 1
59 1 8 GLY H 1 11 ILE HB 3.075 . 4.350 4.082 3.486 4.366 0.016 3 0 "[ . 1 . 2]" 1
60 1 8 GLY H 1 9 ARG H 3.200 . 4.600 3.446 3.093 3.883 . 0 0 "[ . 1 . 2]" 1
61 1 5 CYS HA 1 13 ARG H 2.970 . 4.140 3.841 3.614 4.153 0.013 15 0 "[ . 1 . 2]" 1
62 1 15 ILE HB 1 16 CYS H 3.155 . 4.510 3.839 2.688 4.266 . 0 0 "[ . 1 . 2]" 1
63 1 17 GLY H 1 18 ARG H 3.090 . 4.380 2.774 1.872 3.718 . 0 0 "[ . 1 . 2]" 1
64 1 13 ARG H 1 14 CYS H 2.970 . 4.140 4.018 3.748 4.166 0.026 4 0 "[ . 1 . 2]" 1
65 1 6 ILE H 1 13 ARG H 3.110 . 4.420 3.029 2.757 3.154 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS H 1 8 GLY H 3.110 . 4.420 4.368 4.160 4.455 0.035 5 0 "[ . 1 . 2]" 1
67 1 4 ARG H 1 14 CYS HA 3.090 . 4.380 3.934 3.688 4.313 . 0 0 "[ . 1 . 2]" 1
68 1 18 ARG H 1 18 ARG QG 4.090 . 6.380 3.208 1.996 4.238 . 0 0 "[ . 1 . 2]" 1
69 1 2 ILE H 1 2 ILE HG12 3.260 . 4.720 3.885 2.664 4.786 0.066 19 0 "[ . 1 . 2]" 1
70 1 2 ILE H 1 2 ILE HG13 3.260 . 4.720 3.671 2.288 4.724 0.004 2 0 "[ . 1 . 2]" 1
71 1 4 ARG H 1 4 ARG HG2 3.450 . 5.100 4.180 2.575 4.901 . 0 0 "[ . 1 . 2]" 1
72 1 4 ARG H 1 4 ARG HG3 3.450 . 5.100 4.160 2.703 4.746 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE H 1 6 ILE HG12 2.875 . 3.950 2.380 1.892 3.637 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE H 1 6 ILE HG13 2.875 . 3.950 2.908 2.020 3.719 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG H 1 9 ARG QD 4.090 . 6.380 4.091 3.552 4.871 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG H 1 9 ARG QG 4.030 . 6.260 2.696 1.928 4.094 . 0 0 "[ . 1 . 2]" 1
77 1 10 ARG QG 1 11 ILE H 4.090 . 6.380 3.738 3.028 4.546 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE H 1 11 ILE HG12 3.185 . 4.570 3.438 2.043 4.250 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE H 1 11 ILE HG13 3.185 . 4.570 2.703 1.982 3.866 . 0 0 "[ . 1 . 2]" 1
80 1 13 ARG H 1 13 ARG HG3 3.400 . 5.000 4.216 2.995 4.865 . 0 0 "[ . 1 . 2]" 1
81 1 13 ARG H 1 13 ARG HG2 3.400 . 5.000 4.225 2.655 5.077 0.077 20 0 "[ . 1 . 2]" 1
82 1 10 ARG H 1 10 ARG QG 4.090 . 6.380 3.130 2.291 4.392 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLY H 1 10 ARG QG 4.090 . 6.380 6.262 5.534 6.468 0.088 1 0 "[ . 1 . 2]" 1
84 1 10 ARG QD 1 11 ILE H 4.090 . 6.380 5.024 4.080 5.987 . 0 0 "[ . 1 . 2]" 1
85 1 13 ARG HG2 1 14 CYS H 3.650 . 5.500 4.384 3.161 5.223 . 0 0 "[ . 1 . 2]" 1
86 1 4 ARG HG3 1 5 CYS H 3.650 . 5.500 4.240 3.291 5.506 0.006 14 0 "[ . 1 . 2]" 1
87 1 13 ARG HG3 1 14 CYS H 3.650 . 5.500 4.218 2.802 5.557 0.057 9 0 "[ . 1 . 2]" 1
88 1 4 ARG HG2 1 5 CYS H 3.650 . 5.500 4.363 3.006 5.330 . 0 0 "[ . 1 . 2]" 1
89 1 2 ILE HA 1 2 ILE MG 2.840 . 3.880 2.622 2.308 3.236 . 0 0 "[ . 1 . 2]" 1
90 1 2 ILE H 1 2 ILE MG 3.650 . 5.500 3.443 2.037 3.973 . 0 0 "[ . 1 . 2]" 1
91 1 2 ILE MG 1 3 CYS H 3.415 . 5.030 2.639 2.174 3.722 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HA 1 6 ILE MG 2.855 . 3.910 2.352 2.261 2.458 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE H 1 6 ILE MG 3.290 . 4.780 3.095 2.522 3.773 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MG 1 7 CYS H 3.525 . 5.250 3.394 2.531 3.906 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE H 1 11 ILE MG 3.540 . 5.280 3.855 3.785 3.943 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE MG 1 12 CYS H 3.430 . 5.060 2.169 2.077 2.300 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE MG 1 16 CYS H 3.880 . 5.960 3.481 2.513 4.197 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE HA 1 11 ILE MG 2.840 . 3.880 2.368 2.278 2.466 . 0 0 "[ . 1 . 2]" 1
99 1 6 ILE HA 1 6 ILE MD 3.245 . 4.690 3.730 2.105 4.236 . 0 0 "[ . 1 . 2]" 1
100 1 1 GLY QA 1 2 ILE H 2.420 . 3.040 2.849 2.773 2.926 . 0 0 "[ . 1 . 2]" 1
101 1 3 CYS H 1 3 CYS QB 2.395 . 2.990 2.614 2.488 2.726 . 0 0 "[ . 1 . 2]" 1
102 1 3 CYS H 1 16 CYS QB 3.570 . 5.340 5.055 4.737 5.360 0.020 12 0 "[ . 1 . 2]" 1
103 1 3 CYS QB 1 4 ARG H 2.385 . 2.970 2.639 2.451 2.830 . 0 0 "[ . 1 . 2]" 1
104 1 7 CYS H 1 7 CYS QB 2.455 . 3.110 2.577 2.458 2.667 . 0 0 "[ . 1 . 2]" 1
105 1 7 CYS QB 1 8 GLY H 2.605 . 3.410 2.760 2.456 2.962 . 0 0 "[ . 1 . 2]" 1
106 1 7 CYS QB 1 13 ARG H 3.570 . 5.340 5.077 4.907 5.242 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLY QA 1 9 ARG H 2.260 . 2.720 2.072 2.022 2.158 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG H 1 9 ARG QB 2.415 . 3.030 2.491 2.202 2.848 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE H 1 11 ILE QG 2.890 . 3.980 2.434 1.967 3.463 . 0 0 "[ . 1 . 2]" 1
110 1 12 CYS H 1 12 CYS QB 2.425 . 3.050 2.741 2.658 2.822 . 0 0 "[ . 1 . 2]" 1
111 1 12 CYS QB 1 13 ARG H 2.355 . 2.910 2.359 2.182 2.512 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG H 1 13 ARG QG 3.060 . 4.320 3.666 2.548 4.263 . 0 0 "[ . 1 . 2]" 1
113 1 16 CYS H 1 16 CYS QB 2.665 . 3.530 2.502 2.179 2.692 . 0 0 "[ . 1 . 2]" 1
114 1 16 CYS QB 1 17 GLY H 2.545 . 3.290 2.988 2.238 3.309 0.019 14 0 "[ . 1 . 2]" 1
115 1 17 GLY QA 1 18 ARG H 2.375 . 2.950 2.322 2.067 2.846 . 0 0 "[ . 1 . 2]" 1
116 1 5 CYS HA 1 14 CYS HA 2.380 . 3.380 1.964 1.906 2.036 0.094 17 0 "[ . 1 . 2]" 1
117 1 7 CYS HA 1 12 CYS HA 2.380 . 3.380 2.028 1.946 2.132 0.054 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 8
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 5.225
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0218
_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 4 ARG 0.038 0.019 13 0 "[ . 1 . 2]"
1 6 ILE 0.223 0.050 18 0 "[ . 1 . 2]"
1 13 ARG 0.223 0.050 18 0 "[ . 1 . 2]"
1 15 ILE 0.038 0.019 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 4 ARG H 1 15 ILE O 0.000 . 2.000 1.818 1.706 1.955 . 0 0 "[ . 1 . 2]" 2
2 1 4 ARG N 1 15 ILE O 0.000 . 3.000 2.771 2.665 2.891 . 0 0 "[ . 1 . 2]" 2
3 1 6 ILE H 1 13 ARG O 0.000 . 2.000 1.966 1.847 2.035 0.035 7 0 "[ . 1 . 2]" 2
4 1 6 ILE N 1 13 ARG O 0.000 . 3.000 2.884 2.744 2.976 . 0 0 "[ . 1 . 2]" 2
5 1 6 ILE O 1 13 ARG H 0.000 . 2.000 1.864 1.706 2.050 0.050 18 0 "[ . 1 . 2]" 2
6 1 6 ILE O 1 13 ARG N 0.000 . 3.000 2.780 2.673 2.905 . 0 0 "[ . 1 . 2]" 2
7 1 4 ARG O 1 15 ILE H 0.000 . 2.000 1.924 1.782 2.019 0.019 13 0 "[ . 1 . 2]" 2
8 1 4 ARG O 1 15 ILE N 0.000 . 3.000 2.851 2.732 2.950 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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