NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387968 |
1mv6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mv6
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 126
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 0.889
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_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 G 0.000 0.000 . 0 "[ ]"
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 C 0.036 0.019 3 0 "[ ]"
1 4 P5P 0.082 0.044 3 0 "[ ]"
1 5 P5P 0.069 0.027 2 0 "[ ]"
1 6 G 0.016 0.013 1 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 C 0.053 0.018 1 0 "[ ]"
1 9 U 0.053 0.018 1 0 "[ ]"
2 1 G 0.000 0.000 . 0 "[ ]"
2 2 G 0.000 0.000 . 0 "[ ]"
2 3 C 0.027 0.016 1 0 "[ ]"
2 4 P5P 0.074 0.027 2 0 "[ ]"
2 5 P5P 0.061 0.044 3 0 "[ ]"
2 6 G 0.017 0.017 2 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 C 0.048 0.019 3 0 "[ ]"
2 9 U 0.048 0.019 3 0 "[ ]"
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 G H1' 1 1 G H8 . 2.693 5.002 3.722 3.674 3.751 . 0 0 "[ ]" 1
2 1 1 G H2' 1 1 G H8 . 2.872 5.333 4.175 4.102 4.301 . 0 0 "[ ]" 1
3 1 1 G H3' 1 1 G H8 . 2.359 4.381 3.123 3.008 3.318 . 0 0 "[ ]" 1
4 1 1 G H1' 1 1 G H2' . . 3.497 2.738 2.725 2.745 . 0 0 "[ ]" 1
5 1 1 G H1' 1 1 G H3' . 2.853 5.299 3.773 3.756 3.804 . 0 0 "[ ]" 1
6 1 1 G H1' 1 1 G H4' . 2.703 5.020 3.301 3.234 3.434 . 0 0 "[ ]" 1
7 1 1 G H1' 1 2 G H8 . 2.857 5.306 4.789 4.742 4.836 . 0 0 "[ ]" 1
8 1 1 G H2' 1 1 G H3' . . 2.922 2.422 2.403 2.431 . 0 0 "[ ]" 1
9 1 1 G H2' 1 2 G H8 . . 3.117 2.238 2.150 2.356 . 0 0 "[ ]" 1
10 1 2 G H1' 1 2 G H8 . 2.510 4.662 3.784 3.778 3.794 . 0 0 "[ ]" 1
11 1 2 G H1' 1 2 G H2' . . 3.383 2.727 2.724 2.733 . 0 0 "[ ]" 1
12 1 2 G H1' 1 2 G H4' . 2.880 5.348 3.311 3.267 3.336 . 0 0 "[ ]" 1
13 1 2 G H2' 1 3 C H6 . . 3.220 2.197 2.174 2.229 . 0 0 "[ ]" 1
14 1 3 C H5 1 3 C H6 . . 3.243 2.414 2.413 2.415 . 0 0 "[ ]" 1
15 1 3 C H1' 1 3 C H6 . 2.572 4.776 3.637 3.624 3.654 . 0 0 "[ ]" 1
16 1 3 C H3' 1 3 C H6 . 2.379 4.419 2.868 2.771 2.963 . 0 0 "[ ]" 1
17 1 3 C H1' 1 3 C H2' . 2.362 4.386 2.747 2.739 2.758 . 0 0 "[ ]" 1
18 1 3 C H3' 1 4 P5P H8 . 2.305 3.841 2.373 2.286 2.544 0.019 3 0 "[ ]" 1
19 1 4 P5P H1' 1 4 P5P H8 . 3.007 5.011 3.801 3.758 3.883 . 0 0 "[ ]" 1
20 1 4 P5P H2' 1 4 P5P H8 . 2.494 4.156 4.024 3.775 4.157 0.001 3 0 "[ ]" 1
21 1 4 P5P H3' 1 4 P5P H8 . 2.252 3.754 2.835 2.534 3.030 . 0 0 "[ ]" 1
22 1 4 P5P H1' 1 4 P5P H2' . 2.014 3.356 2.725 2.719 2.729 . 0 0 "[ ]" 1
23 1 4 P5P H1' 1 4 P5P H3' . 3.310 5.516 3.777 3.749 3.793 . 0 0 "[ ]" 1
24 1 4 P5P H1' 1 4 P5P H4' . 3.305 5.509 3.407 3.373 3.426 . 0 0 "[ ]" 1
25 1 5 P5P H2 1 6 G H1' . 2.827 4.711 3.795 3.191 4.712 0.001 3 0 "[ ]" 1
26 1 4 P5P H2' 1 5 P5P H8 . 2.178 3.630 2.566 2.323 3.035 . 0 0 "[ ]" 1
27 1 5 P5P H1' 1 5 P5P H8 . 3.396 5.660 3.797 3.777 3.821 . 0 0 "[ ]" 1
28 1 5 P5P H2' 1 5 P5P H8 . 2.412 4.020 3.981 3.896 4.026 0.006 2 0 "[ ]" 1
29 1 5 P5P H1' 1 5 P5P H4' . 3.075 5.125 3.304 3.267 3.333 . 0 0 "[ ]" 1
30 1 5 P5P H1' 1 5 P5P H2' . 2.170 3.616 2.740 2.730 2.747 . 0 0 "[ ]" 1
31 1 5 P5P H2' 1 6 G H8 . 2.237 3.728 2.511 2.224 2.918 0.013 1 0 "[ ]" 1
32 1 5 P5P H3' 1 6 G H8 . 2.496 4.160 2.697 2.495 3.042 0.001 2 0 "[ ]" 1
33 1 6 G H1' 1 6 G H8 . 2.990 5.553 3.836 3.805 3.864 . 0 0 "[ ]" 1
34 1 6 G H2' 1 6 G H8 . 2.723 5.057 3.893 3.712 4.030 . 0 0 "[ ]" 1
35 1 6 G H3' 1 6 G H8 . 2.111 3.920 2.697 2.572 2.826 . 0 0 "[ ]" 1
36 1 6 G H1' 1 6 G H2' . . 3.456 2.728 2.718 2.746 . 0 0 "[ ]" 1
37 1 6 G H1' 1 6 G H3' . 2.689 4.993 3.767 3.756 3.782 . 0 0 "[ ]" 1
38 1 6 G H2' 1 7 C H6 . . 3.094 2.301 2.286 2.310 . 0 0 "[ ]" 1
39 1 7 C H5 1 7 C H6 . . 3.291 2.416 2.416 2.417 . 0 0 "[ ]" 1
40 1 7 C H1' 1 7 C H6 . 2.753 5.113 3.650 3.628 3.688 . 0 0 "[ ]" 1
41 1 7 C H6 1 8 C H5 . 2.815 5.228 4.473 4.375 4.549 . 0 0 "[ ]" 1
42 1 7 C H1' 1 7 C H2' . . 3.298 2.758 2.753 2.762 . 0 0 "[ ]" 1
43 1 8 C H5 1 8 C H6 . . 3.235 2.415 2.414 2.417 . 0 0 "[ ]" 1
44 1 8 C H3' 1 8 C H6 . . 3.507 2.622 2.531 2.673 . 0 0 "[ ]" 1
45 1 8 C H4' 1 8 C H6 . 2.989 5.551 4.168 4.152 4.181 . 0 0 "[ ]" 1
46 1 8 C H1' 1 8 C H6 . 2.645 4.912 3.669 3.661 3.684 . 0 0 "[ ]" 1
47 1 8 C H1' 1 8 C H2' . . 3.137 2.734 2.733 2.735 . 0 0 "[ ]" 1
48 1 8 C H1' 1 8 C H3' . 2.686 4.988 3.780 3.779 3.782 . 0 0 "[ ]" 1
49 1 8 C H1' 1 9 U H6 . 2.557 4.748 4.766 4.765 4.766 0.018 1 0 "[ ]" 1
50 1 8 C H2' 1 8 C H6 . 2.196 4.078 3.766 3.700 3.799 . 0 0 "[ ]" 1
51 1 8 C H3' 1 9 U H6 . 2.236 4.153 3.060 3.044 3.076 . 0 0 "[ ]" 1
52 1 9 U H5 1 9 U H6 . . 3.214 2.417 2.417 2.418 . 0 0 "[ ]" 1
53 1 9 U H2' 1 9 U H6 . 2.373 4.408 3.763 3.742 3.782 . 0 0 "[ ]" 1
54 1 8 C H2' 1 9 U H6 . . 3.278 2.268 2.261 2.272 . 0 0 "[ ]" 1
55 1 9 U H1' 1 9 U H6 . 2.705 5.023 3.651 3.645 3.656 . 0 0 "[ ]" 1
56 1 9 U H1' 1 9 U H2' . 2.087 3.876 2.786 2.785 2.788 . 0 0 "[ ]" 1
57 1 9 U H3' 1 9 U H6 . . 3.444 2.731 2.709 2.750 . 0 0 "[ ]" 1
58 1 9 U H1' 1 9 U H3' . 2.443 4.537 3.811 3.810 3.812 . 0 0 "[ ]" 1
59 2 1 G H1' 2 1 G H8 . 2.693 5.002 3.754 3.724 3.798 . 0 0 "[ ]" 1
60 2 1 G H2' 2 1 G H8 . 2.872 5.333 4.104 3.931 4.214 . 0 0 "[ ]" 1
61 2 1 G H3' 2 1 G H8 . 2.359 4.381 3.022 2.913 3.124 . 0 0 "[ ]" 1
62 2 1 G H1' 2 1 G H2' . . 3.497 2.730 2.718 2.753 . 0 0 "[ ]" 1
63 2 1 G H1' 2 1 G H3' . 2.853 5.299 3.772 3.767 3.781 . 0 0 "[ ]" 1
64 2 1 G H1' 2 1 G H4' . 2.703 5.020 3.339 3.210 3.419 . 0 0 "[ ]" 1
65 2 1 G H1' 2 2 G H8 . 2.857 5.306 4.845 4.760 4.972 . 0 0 "[ ]" 1
66 2 1 G H2' 2 1 G H3' . . 2.922 2.407 2.403 2.414 . 0 0 "[ ]" 1
67 2 1 G H2' 2 2 G H8 . . 3.117 2.277 2.100 2.472 . 0 0 "[ ]" 1
68 2 2 G H1' 2 2 G H8 . 2.510 4.662 3.797 3.788 3.810 . 0 0 "[ ]" 1
69 2 2 G H1' 2 2 G H2' . . 3.383 2.730 2.712 2.749 . 0 0 "[ ]" 1
70 2 2 G H1' 2 2 G H4' . 2.880 5.348 3.308 3.253 3.349 . 0 0 "[ ]" 1
71 2 2 G H2' 2 3 C H6 . . 3.220 2.182 2.118 2.214 . 0 0 "[ ]" 1
72 2 3 C H5 2 3 C H6 . . 3.243 2.405 2.401 2.414 . 0 0 "[ ]" 1
73 2 3 C H1' 2 3 C H6 . 2.572 4.776 3.653 3.605 3.700 . 0 0 "[ ]" 1
74 2 3 C H3' 2 3 C H6 . 2.379 4.419 2.702 2.452 2.862 . 0 0 "[ ]" 1
75 2 3 C H1' 2 3 C H2' . 2.362 4.386 2.732 2.712 2.750 . 0 0 "[ ]" 1
76 2 3 C H3' 2 4 P5P H8 . 2.305 3.995 2.396 2.289 2.605 0.016 1 0 "[ ]" 1
77 2 4 P5P H1' 2 4 P5P H8 . 3.007 5.212 3.838 3.808 3.872 . 0 0 "[ ]" 1
78 2 4 P5P H2' 2 4 P5P H8 . 2.494 4.322 3.885 3.702 4.004 . 0 0 "[ ]" 1
79 2 4 P5P H3' 2 4 P5P H8 . 2.252 3.904 2.675 2.417 2.823 . 0 0 "[ ]" 1
80 2 4 P5P H1' 2 4 P5P H2' . 2.014 3.490 2.731 2.729 2.731 . 0 0 "[ ]" 1
81 2 4 P5P H1' 2 4 P5P H3' . 3.310 5.737 3.759 3.695 3.794 . 0 0 "[ ]" 1
82 2 4 P5P H1' 2 4 P5P H4' . 3.305 5.730 3.364 3.334 3.408 . 0 0 "[ ]" 1
83 2 5 P5P H2 2 6 G H1' . 2.827 4.711 3.511 3.208 3.762 . 0 0 "[ ]" 1
84 2 4 P5P H2' 2 5 P5P H8 . 2.178 3.776 2.426 2.329 2.556 . 0 0 "[ ]" 1
85 2 5 P5P H1' 2 5 P5P H8 . 3.396 5.886 3.815 3.814 3.816 . 0 0 "[ ]" 1
86 2 5 P5P H2' 2 5 P5P H8 . 2.412 4.180 3.877 3.852 3.923 . 0 0 "[ ]" 1
87 2 5 P5P H1' 2 5 P5P H4' . 3.075 5.330 3.277 3.241 3.335 . 0 0 "[ ]" 1
88 2 5 P5P H1' 2 5 P5P H2' . 2.170 3.762 2.744 2.732 2.755 . 0 0 "[ ]" 1
89 2 5 P5P H2' 2 6 G H8 . 2.237 3.729 2.262 2.220 2.329 0.017 2 0 "[ ]" 1
90 2 5 P5P H3' 2 6 G H8 . 2.496 4.327 3.067 2.824 3.235 . 0 0 "[ ]" 1
91 2 6 G H1' 2 6 G H8 . 2.990 5.553 3.841 3.833 3.851 . 0 0 "[ ]" 1
92 2 6 G H2' 2 6 G H8 . 2.723 5.057 3.901 3.843 3.987 . 0 0 "[ ]" 1
93 2 6 G H3' 2 6 G H8 . 2.111 3.920 2.695 2.648 2.744 . 0 0 "[ ]" 1
94 2 6 G H1' 2 6 G H2' . . 3.456 2.727 2.713 2.739 . 0 0 "[ ]" 1
95 2 6 G H1' 2 6 G H3' . 2.689 4.993 3.763 3.755 3.775 . 0 0 "[ ]" 1
96 2 6 G H2' 2 7 C H6 . . 3.094 2.226 2.185 2.261 . 0 0 "[ ]" 1
97 2 7 C H5 2 7 C H6 . . 3.291 2.415 2.411 2.418 . 0 0 "[ ]" 1
98 2 7 C H1' 2 7 C H6 . 2.753 5.113 3.646 3.612 3.668 . 0 0 "[ ]" 1
99 2 7 C H6 2 8 C H5 . 2.815 5.228 4.312 4.194 4.481 . 0 0 "[ ]" 1
100 2 7 C H1' 2 7 C H2' . . 3.298 2.753 2.737 2.762 . 0 0 "[ ]" 1
101 2 8 C H5 2 8 C H6 . . 3.235 2.416 2.414 2.418 . 0 0 "[ ]" 1
102 2 8 C H3' 2 8 C H6 . . 3.507 2.698 2.660 2.740 . 0 0 "[ ]" 1
103 2 8 C H4' 2 8 C H6 . 2.989 5.551 4.183 4.175 4.196 . 0 0 "[ ]" 1
104 2 8 C H1' 2 8 C H6 . 2.645 4.912 3.651 3.646 3.654 . 0 0 "[ ]" 1
105 2 8 C H1' 2 8 C H2' . . 3.137 2.741 2.733 2.753 . 0 0 "[ ]" 1
106 2 8 C H1' 2 8 C H3' . 2.686 4.988 3.772 3.766 3.775 . 0 0 "[ ]" 1
107 2 8 C H1' 2 9 U H6 . 2.557 4.748 4.764 4.762 4.767 0.019 3 0 "[ ]" 1
108 2 8 C H2' 2 8 C H6 . 2.196 4.078 3.821 3.771 3.864 . 0 0 "[ ]" 1
109 2 8 C H3' 2 9 U H6 . 2.236 4.153 3.034 3.006 3.066 . 0 0 "[ ]" 1
110 2 9 U H5 2 9 U H6 . . 3.214 2.416 2.415 2.416 . 0 0 "[ ]" 1
111 2 9 U H2' 2 9 U H6 . 2.373 4.408 3.773 3.755 3.787 . 0 0 "[ ]" 1
112 2 8 C H2' 2 9 U H6 . . 3.278 2.243 2.216 2.259 . 0 0 "[ ]" 1
113 2 9 U H1' 2 9 U H6 . 2.705 5.023 3.657 3.653 3.661 . 0 0 "[ ]" 1
114 2 9 U H1' 2 9 U H2' . 2.087 3.876 2.767 2.760 2.779 . 0 0 "[ ]" 1
115 2 9 U H3' 2 9 U H6 . . 3.444 2.700 2.668 2.754 . 0 0 "[ ]" 1
116 2 9 U H1' 2 9 U H3' . 2.443 4.537 3.803 3.793 3.820 . 0 0 "[ ]" 1
117 1 4 P5P H2 2 5 P5P H6 . 2.324 3.873 2.696 2.454 3.004 . 0 0 "[ ]" 1
118 1 5 P5P H6 2 4 P5P H2 . 2.324 3.873 3.183 2.620 3.585 . 0 0 "[ ]" 1
119 1 4 P5P H1' 2 5 P5P H6 . 2.997 4.994 3.348 2.953 3.618 0.044 3 0 "[ ]" 1
120 1 5 P5P H6 2 4 P5P H1' . 2.997 4.994 3.100 2.970 3.352 0.027 2 0 "[ ]" 1
121 1 5 P5P H6 2 4 P5P H2' . 2.865 4.775 4.132 3.113 4.647 . 0 0 "[ ]" 1
122 1 4 P5P H2' 2 5 P5P H6 . 2.865 4.775 4.168 3.880 4.467 . 0 0 "[ ]" 1
123 1 5 P5P H1' 2 5 P5P H2 . 2.778 4.630 3.302 3.159 3.460 . 0 0 "[ ]" 1
124 1 5 P5P H2 2 5 P5P H1' . 2.778 4.630 3.312 3.165 3.461 . 0 0 "[ ]" 1
125 1 5 P5P H6 2 5 P5P H8 . 3.359 5.599 4.125 3.524 4.567 . 0 0 "[ ]" 1
126 1 5 P5P H8 2 5 P5P H6 . 3.359 5.599 4.210 4.041 4.505 . 0 0 "[ ]" 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 18
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 1 G 0.000 0.000 . 0 "[ ]"
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 C 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 C 0.000 0.000 . 0 "[ ]"
2 1 G 0.000 0.000 . 0 "[ ]"
2 2 G 0.000 0.000 . 0 "[ ]"
2 3 C 0.000 0.000 . 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 C 0.000 0.000 . 0 "[ ]"
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 G H1 2 8 C N3 . . 2.500 1.966 1.963 1.969 . 0 0 "[ ]" 2
2 1 1 G O6 2 8 C H41 . . 2.500 1.904 1.886 1.932 . 0 0 "[ ]" 2
3 1 1 G H21 2 8 C O2 . . 2.500 1.861 1.852 1.874 . 0 0 "[ ]" 2
4 1 2 G H1 2 7 C N3 . . 2.500 1.964 1.963 1.967 . 0 0 "[ ]" 2
5 1 2 G O6 2 7 C H41 . . 2.500 1.939 1.912 1.978 . 0 0 "[ ]" 2
6 1 2 G H21 2 7 C O2 . . 2.500 1.846 1.828 1.858 . 0 0 "[ ]" 2
7 1 3 C N3 2 6 G H1 . . 2.500 1.956 1.953 1.961 . 0 0 "[ ]" 2
8 1 3 C H41 2 6 G O6 . . 2.500 1.971 1.944 1.995 . 0 0 "[ ]" 2
9 1 3 C O2 2 6 G H21 . . 2.500 1.860 1.848 1.877 . 0 0 "[ ]" 2
10 1 6 G H1 2 3 C N3 . . 2.500 1.936 1.921 1.956 . 0 0 "[ ]" 2
11 1 6 G O6 2 3 C H41 . . 2.500 1.896 1.846 1.934 . 0 0 "[ ]" 2
12 1 6 G H21 2 3 C O2 . . 2.500 1.877 1.843 1.912 . 0 0 "[ ]" 2
13 1 7 C N3 2 2 G H1 . . 2.500 1.981 1.972 1.993 . 0 0 "[ ]" 2
14 1 7 C H41 2 2 G O6 . . 2.500 1.957 1.922 2.015 . 0 0 "[ ]" 2
15 1 7 C O2 2 2 G H21 . . 2.500 1.851 1.827 1.873 . 0 0 "[ ]" 2
16 1 8 C N3 2 1 G H1 . . 2.500 1.962 1.960 1.964 . 0 0 "[ ]" 2
17 1 8 C H41 2 1 G O6 . . 2.500 1.901 1.878 1.920 . 0 0 "[ ]" 2
18 1 8 C O2 2 1 G H21 . . 2.500 1.857 1.842 1.870 . 0 0 "[ ]" 2
stop_
save_
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