NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520785 |
2l8f   |
17406 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8f
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 187
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 15.221
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0371
_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]"
1 2 U 0.000 0.000 . 0 "[ . 1]"
1 3 G 0.000 0.000 . 0 "[ . 1]"
1 4 A 1.152 0.096 1 0 "[ . 1]"
1 5 A 0.843 0.096 1 0 "[ . 1]"
1 6 G 0.098 0.022 7 0 "[ . 1]"
1 7 C 0.000 0.000 . 0 "[ . 1]"
1 8 C 0.000 0.000 . 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 10 G 0.000 0.000 . 0 "[ . 1]"
1 11 U 0.000 0.000 . 0 "[ . 1]"
2 1 C 0.000 0.000 . 0 "[ . 1]"
2 2 G 0.000 0.000 . 0 "[ . 1]"
2 3 G 0.000 0.000 . 0 "[ . 1]"
2 4 A 0.000 0.000 . 0 "[ . 1]"
2 5 G 0.009 0.009 5 0 "[ . 1]"
2 6 G 0.639 0.071 3 0 "[ . 1]"
2 7 A 0.000 0.000 . 0 "[ . 1]"
2 8 C 0.000 0.000 . 0 "[ . 1]"
2 9 A 0.000 0.000 . 0 "[ . 1]"
2 10 C 0.000 0.000 . 0 "[ . 1]"
2 11 U 0.040 0.022 6 0 "[ . 1]"
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 3 G H2' 1 3 G H8 4.700 2.900 5.200 3.976 3.895 4.035 . 0 0 "[ . 1]" 1
2 1 4 A H1' 1 4 A H8 4.400 2.800 4.900 3.813 3.773 3.854 . 0 0 "[ . 1]" 1
3 1 4 A H2 2 7 A H8 3.900 2.400 4.400 3.765 3.690 3.914 . 0 0 "[ . 1]" 1
4 1 4 A H3' 1 5 A H8 3.900 2.400 4.400 4.061 4.047 4.081 . 0 0 "[ . 1]" 1
5 1 5 A H1' 1 5 A H8 4.500 2.800 5.000 3.679 3.647 3.716 . 0 0 "[ . 1]" 1
6 1 5 A H2' 1 5 A H8 4.600 2.900 5.100 4.332 4.266 4.395 . 0 0 "[ . 1]" 1
7 1 5 A H3' 1 6 G H8 4.300 2.700 4.800 2.708 2.678 2.773 0.022 7 0 "[ . 1]" 1
8 1 6 G H1' 1 6 G H8 4.400 2.800 4.900 3.706 3.682 3.736 . 0 0 "[ . 1]" 1
9 1 6 G H2' 1 6 G H8 4.500 2.900 5.000 4.217 4.161 4.267 . 0 0 "[ . 1]" 1
10 1 7 C H1' 1 7 C H6 4.000 3.000 4.500 3.664 3.642 3.686 . 0 0 "[ . 1]" 1
11 1 11 U H1' 1 11 U H6 4.200 2.800 4.700 3.665 3.640 3.687 . 0 0 "[ . 1]" 1
12 2 5 G H2' 2 5 G H8 4.400 2.800 4.900 3.599 3.446 3.662 . 0 0 "[ . 1]" 1
13 2 6 G H1' 2 6 G H8 4.100 2.600 4.600 3.816 3.799 3.875 . 0 0 "[ . 1]" 1
14 2 7 A H1' 2 7 A H8 4.200 3.100 4.700 3.678 3.627 3.738 . 0 0 "[ . 1]" 1
15 1 5 A H2 1 6 G H8 6.500 3.300 7.000 4.614 4.384 4.789 . 0 0 "[ . 1]" 1
16 1 5 A H2 2 7 A H2 6.000 3.200 6.500 4.615 4.407 5.358 . 0 0 "[ . 1]" 1
17 2 4 A H8 2 5 G H8 6.000 3.200 6.500 4.972 4.808 5.129 . 0 0 "[ . 1]" 1
18 2 7 A H8 2 8 C H6 4.800 2.600 5.300 4.106 3.863 4.390 . 0 0 "[ . 1]" 1
19 2 9 A H8 2 10 C H6 6.000 3.200 6.500 4.880 4.734 5.116 . 0 0 "[ . 1]" 1
20 1 7 C H6 1 8 C H6 6.000 2.500 6.500 4.712 4.502 4.815 . 0 0 "[ . 1]" 1
21 1 9 C H6 1 10 G H8 6.000 2.500 6.500 4.658 4.546 4.885 . 0 0 "[ . 1]" 1
22 2 3 G H8 2 4 A H8 6.000 2.500 6.500 4.571 4.526 4.624 . 0 0 "[ . 1]" 1
23 2 2 G H8 2 3 G H8 6.000 2.500 6.500 4.618 4.494 4.725 . 0 0 "[ . 1]" 1
24 1 2 U H6 1 3 G H8 6.000 2.500 6.500 4.638 4.534 4.769 . 0 0 "[ . 1]" 1
25 1 10 G H8 1 11 U H6 6.000 2.500 6.500 4.515 4.362 4.601 . 0 0 "[ . 1]" 1
26 2 8 C H6 2 9 A H8 6.000 2.500 6.500 5.114 4.945 5.230 . 0 0 "[ . 1]" 1
27 1 3 G H8 1 4 A H8 6.000 2.500 6.500 4.490 4.301 4.819 . 0 0 "[ . 1]" 1
28 2 1 C H6 2 2 G H8 6.000 2.500 6.500 4.585 4.465 4.659 . 0 0 "[ . 1]" 1
29 1 5 A H8 1 6 G H8 6.000 2.500 6.500 4.927 4.774 5.104 . 0 0 "[ . 1]" 1
30 1 5 A H2 1 6 G H1' 4.100 2.600 4.600 2.614 2.581 2.670 0.019 1 0 "[ . 1]" 1
31 1 5 A H2 2 7 A H1' 3.800 2.500 4.300 2.844 2.500 3.053 . 0 0 "[ . 1]" 1
32 1 7 C H5 1 8 C H5 3.900 2.100 4.400 3.755 3.575 3.873 . 0 0 "[ . 1]" 1
33 1 6 G H8 1 7 C H5 4.000 2.200 4.500 3.388 3.328 3.426 . 0 0 "[ . 1]" 1
34 1 7 C H6 1 8 C H5 4.400 2.400 4.900 4.257 3.962 4.367 . 0 0 "[ . 1]" 1
35 1 10 G H8 1 11 U H5 4.400 2.400 4.900 3.796 3.543 3.942 . 0 0 "[ . 1]" 1
36 2 7 A H8 2 8 C H5 4.000 2.200 4.500 3.634 3.494 3.893 . 0 0 "[ . 1]" 1
37 1 9 C H2' 1 10 G H1' 4.400 2.800 4.900 4.193 4.110 4.315 . 0 0 "[ . 1]" 1
38 2 2 G H2' 2 3 G H1' 4.700 2.900 5.200 4.115 4.031 4.204 . 0 0 "[ . 1]" 1
39 2 3 G H2' 2 4 A H1' 4.400 2.800 4.900 4.004 3.950 4.088 . 0 0 "[ . 1]" 1
40 2 7 A H2' 2 8 C H1' 4.500 2.800 5.000 4.220 4.085 4.433 . 0 0 "[ . 1]" 1
41 2 5 G H2' 2 6 G H4' 5.200 3.000 5.700 4.718 4.379 4.935 . 0 0 "[ . 1]" 1
42 1 5 A H2' 1 6 G H8 3.100 . 3.600 2.159 2.121 2.224 . 0 0 "[ . 1]" 1
43 1 5 A H3' 1 5 A H8 3.400 2.100 3.900 3.255 3.157 3.330 . 0 0 "[ . 1]" 1
44 2 1 C H2' 2 2 G H1' 6.500 3.500 7.000 4.218 4.106 4.349 . 0 0 "[ . 1]" 1
45 1 7 C H5 2 4 A H2 14.500 4.500 15.000 5.474 5.427 5.551 . 0 0 "[ . 1]" 1
46 1 4 A H2 2 6 G H2' 10.000 3.000 10.500 4.102 3.852 4.599 . 0 0 "[ . 1]" 1
47 1 5 A H8 2 6 G H1' 15.000 5.000 15.500 6.373 6.228 6.426 . 0 0 "[ . 1]" 1
48 2 5 G H2' 2 6 G H1' 13.000 3.000 13.500 4.451 4.031 4.643 . 0 0 "[ . 1]" 1
49 1 1 G H1' 1 1 G H2' 3.600 2.300 4.100 2.731 2.711 2.749 . 0 0 "[ . 1]" 1
50 1 1 G H1' 1 1 G H8 4.700 3.400 5.200 3.751 3.706 3.784 . 0 0 "[ . 1]" 1
51 1 1 G H2' 1 1 G H8 5.200 3.200 5.700 4.113 4.063 4.242 . 0 0 "[ . 1]" 1
52 1 1 G H2' 1 2 U H6 3.300 2.100 3.800 2.446 2.327 2.661 . 0 0 "[ . 1]" 1
53 1 2 U H1' 1 2 U H2' 3.500 2.200 4.000 2.749 2.739 2.760 . 0 0 "[ . 1]" 1
54 1 2 U H1' 1 2 U H6 4.300 2.700 4.800 3.657 3.633 3.669 . 0 0 "[ . 1]" 1
55 1 2 U H2' 1 2 U H6 4.200 2.600 4.700 3.783 3.734 3.852 . 0 0 "[ . 1]" 1
56 1 2 U H2' 1 3 G H8 3.200 . 3.700 2.175 2.138 2.206 . 0 0 "[ . 1]" 1
57 1 3 G H1' 1 3 G H2' 3.500 2.200 4.000 2.734 2.728 2.742 . 0 0 "[ . 1]" 1
58 1 3 G H1' 1 3 G H8 4.700 2.900 5.200 3.798 3.771 3.817 . 0 0 "[ . 1]" 1
59 1 3 G H1' 2 9 A H2 4.500 2.800 5.000 3.729 3.551 4.017 . 0 0 "[ . 1]" 1
60 1 3 G H2' 1 4 A H8 3.700 2.300 4.200 2.832 2.491 3.155 . 0 0 "[ . 1]" 1
61 1 4 A H2 2 6 G H1' 3.900 2.400 4.400 2.384 2.329 2.657 0.071 3 0 "[ . 1]" 1
62 1 4 A H2' 1 4 A H8 4.400 2.800 4.900 3.950 3.853 4.043 . 0 0 "[ . 1]" 1
63 1 4 A H2' 1 5 A H8 4.000 2.400 4.500 2.326 2.304 2.346 0.096 1 0 "[ . 1]" 1
64 1 4 A H3' 1 4 A H8 3.700 2.300 4.200 2.672 2.523 2.882 . 0 0 "[ . 1]" 1
65 1 5 A H1' 2 7 A H2 3.600 2.300 4.100 2.845 2.576 3.024 . 0 0 "[ . 1]" 1
66 1 6 G H2' 1 7 C H6 3.200 . 3.700 2.923 2.691 3.091 . 0 0 "[ . 1]" 1
67 1 7 C H2' 1 7 C H6 4.400 2.800 4.900 3.760 3.648 3.858 . 0 0 "[ . 1]" 1
68 1 7 C H2' 1 8 C H6 3.300 2.100 3.800 2.430 2.337 2.538 . 0 0 "[ . 1]" 1
69 1 8 C H1' 1 8 C H2' 3.300 . 3.800 2.771 2.759 2.785 . 0 0 "[ . 1]" 1
70 1 8 C H1' 1 8 C H6 4.400 2.800 4.900 3.665 3.649 3.678 . 0 0 "[ . 1]" 1
71 1 8 C H1' 2 4 A H2 4.900 3.100 5.400 4.794 4.562 4.907 . 0 0 "[ . 1]" 1
72 1 8 C H2' 1 8 C H6 4.100 2.400 4.600 3.759 3.672 3.863 . 0 0 "[ . 1]" 1
73 1 8 C H2' 1 9 C H6 3.000 . 3.500 2.273 2.209 2.372 . 0 0 "[ . 1]" 1
74 1 9 C H1' 1 9 C H2' 3.300 2.100 3.800 2.750 2.740 2.766 . 0 0 "[ . 1]" 1
75 1 9 C H1' 1 9 C H6 4.300 2.700 4.800 3.674 3.661 3.681 . 0 0 "[ . 1]" 1
76 1 9 C H2' 1 9 C H6 4.400 2.800 4.900 3.748 3.709 3.795 . 0 0 "[ . 1]" 1
77 1 9 C H2' 1 10 G H8 3.000 . 3.500 2.119 2.085 2.161 . 0 0 "[ . 1]" 1
78 1 10 G H1' 1 10 G H2' 3.400 2.100 3.900 2.750 2.728 2.772 . 0 0 "[ . 1]" 1
79 1 10 G H1' 1 10 G H8 4.700 2.900 5.200 3.801 3.774 3.816 . 0 0 "[ . 1]" 1
80 1 10 G H2' 1 10 G H8 4.300 2.700 4.800 3.947 3.861 4.046 . 0 0 "[ . 1]" 1
81 1 10 G H2' 1 11 U H6 3.300 2.100 3.800 2.394 2.348 2.482 . 0 0 "[ . 1]" 1
82 1 11 U H2' 1 11 U H6 3.800 2.400 4.300 3.719 3.599 3.800 . 0 0 "[ . 1]" 1
83 2 1 C H1' 2 1 C H2' 3.600 2.300 4.100 2.752 2.731 2.762 . 0 0 "[ . 1]" 1
84 2 1 C H1' 2 1 C H6 4.400 2.800 4.900 3.681 3.665 3.697 . 0 0 "[ . 1]" 1
85 2 1 C H2' 2 1 C H6 4.200 2.600 4.700 3.706 3.675 3.740 . 0 0 "[ . 1]" 1
86 2 1 C H2' 2 2 G H8 3.000 . 3.500 2.178 2.155 2.266 . 0 0 "[ . 1]" 1
87 2 2 G H1' 2 2 G H2' 3.500 2.200 4.000 2.733 2.724 2.748 . 0 0 "[ . 1]" 1
88 2 2 G H1' 2 2 G H8 4.700 2.900 5.200 3.808 3.786 3.823 . 0 0 "[ . 1]" 1
89 2 2 G H2' 2 2 G H8 4.400 2.800 4.900 3.958 3.916 4.007 . 0 0 "[ . 1]" 1
90 2 2 G H2' 2 3 G H8 3.300 2.100 3.800 2.278 2.207 2.321 . 0 0 "[ . 1]" 1
91 2 3 G H1' 2 3 G H8 4.800 3.000 5.300 3.758 3.747 3.771 . 0 0 "[ . 1]" 1
92 2 3 G H2' 2 3 G H8 5.200 3.200 5.700 4.081 4.055 4.112 . 0 0 "[ . 1]" 1
93 2 3 G H2' 2 4 A H8 3.100 . 3.600 2.494 2.405 2.582 . 0 0 "[ . 1]" 1
94 2 4 A H1' 2 4 A H8 4.700 2.900 5.200 3.799 3.777 3.824 . 0 0 "[ . 1]" 1
95 2 4 A H2 2 5 G H1' 4.700 2.900 5.200 3.745 3.496 4.138 . 0 0 "[ . 1]" 1
96 2 4 A H2' 2 4 A H8 4.000 2.400 4.500 3.995 3.924 4.035 . 0 0 "[ . 1]" 1
97 2 4 A H2' 2 5 G H8 3.400 2.100 3.900 2.897 2.714 3.184 . 0 0 "[ . 1]" 1
98 2 5 G H1' 2 5 G H2' 3.500 2.200 4.000 2.770 2.752 2.783 . 0 0 "[ . 1]" 1
99 2 5 G H1' 2 5 G H8 4.900 3.100 5.400 3.873 3.860 3.889 . 0 0 "[ . 1]" 1
100 2 5 G H2' 2 6 G H8 4.800 2.800 5.300 4.227 3.958 4.384 . 0 0 "[ . 1]" 1
101 2 6 G H2' 2 6 G H8 3.300 2.100 3.800 2.185 2.052 2.275 0.048 7 0 "[ . 1]" 1
102 2 6 G H3' 2 6 G H8 4.700 2.900 5.200 3.329 2.873 4.136 0.027 5 0 "[ . 1]" 1
103 2 7 A H2 2 8 C H1' 4.400 2.800 4.900 3.500 3.189 3.776 . 0 0 "[ . 1]" 1
104 2 7 A H2' 2 8 C H6 3.300 2.100 3.800 3.309 3.268 3.328 . 0 0 "[ . 1]" 1
105 2 8 C H1' 2 8 C H6 5.200 3.200 5.700 3.647 3.630 3.667 . 0 0 "[ . 1]" 1
106 2 8 C H2' 2 9 A H8 3.000 . 3.500 2.292 2.225 2.368 . 0 0 "[ . 1]" 1
107 2 9 A H1' 2 9 A H2 5.700 3.600 6.200 4.582 4.550 4.635 . 0 0 "[ . 1]" 1
108 2 9 A H1' 2 9 A H2' 3.300 2.100 3.800 2.742 2.720 2.754 . 0 0 "[ . 1]" 1
109 2 9 A H1' 2 9 A H8 4.700 2.900 5.200 3.842 3.813 3.862 . 0 0 "[ . 1]" 1
110 2 9 A H2 2 10 C H1' 4.000 2.500 4.500 3.867 3.454 4.008 . 0 0 "[ . 1]" 1
111 2 9 A H2' 2 9 A H8 4.300 2.700 4.800 3.825 3.757 3.941 . 0 0 "[ . 1]" 1
112 2 9 A H2' 2 10 C H6 3.000 . 3.500 2.395 2.322 2.455 . 0 0 "[ . 1]" 1
113 2 10 C H1' 2 10 C H2' 3.600 2.300 4.100 2.764 2.754 2.784 . 0 0 "[ . 1]" 1
114 2 10 C H1' 2 10 C H6 4.500 2.800 5.000 3.697 3.652 3.721 . 0 0 "[ . 1]" 1
115 2 10 C H2' 2 11 U H6 3.200 . 3.700 2.524 2.422 2.626 . 0 0 "[ . 1]" 1
116 2 9 A H8 2 10 C H5 6.000 3.200 6.500 4.236 4.056 4.688 . 0 0 "[ . 1]" 1
117 2 11 U H1' 2 11 U H6 4.300 2.700 4.800 3.696 3.669 3.750 . 0 0 "[ . 1]" 1
118 2 11 U H2' 2 11 U H6 4.100 2.500 4.600 3.407 2.478 3.715 0.022 6 0 "[ . 1]" 1
119 1 6 G H2' 1 7 C H1' 4.800 3.000 5.300 4.066 4.027 4.116 . 0 0 "[ . 1]" 1
120 1 10 G H2' 1 11 U H5 4.100 2.600 4.600 4.128 4.116 4.152 . 0 0 "[ . 1]" 1
121 1 7 C H2' 1 8 C H1' 4.900 3.100 5.400 4.245 4.186 4.320 . 0 0 "[ . 1]" 1
122 1 8 C H2' 1 9 C H1' 4.900 3.100 5.400 4.350 4.246 4.421 . 0 0 "[ . 1]" 1
123 1 3 G H2' 1 4 A H1' 5.300 3.300 5.800 3.989 3.943 4.013 . 0 0 "[ . 1]" 1
124 1 2 U H2' 1 3 G H1' 4.800 3.000 5.300 4.032 3.929 4.129 . 0 0 "[ . 1]" 1
125 2 4 A H2' 2 5 G H1' 4.900 3.100 5.400 4.214 4.096 4.322 . 0 0 "[ . 1]" 1
126 2 8 C H2' 2 9 A H1' 4.900 3.100 5.400 4.244 4.176 4.299 . 0 0 "[ . 1]" 1
127 2 9 A H2' 2 10 C H1' 4.300 2.700 4.800 3.986 3.883 4.139 . 0 0 "[ . 1]" 1
128 2 10 C H2' 2 11 U H1' 5.300 3.300 5.800 4.202 4.092 4.456 . 0 0 "[ . 1]" 1
129 1 9 C H3' 1 10 G H8 . 2.800 4.400 3.347 3.226 3.519 . 0 0 "[ . 1]" 1
130 2 1 C H3' 2 2 G H8 4.200 2.600 4.200 3.398 3.332 3.467 . 0 0 "[ . 1]" 1
131 2 7 A H3' 2 8 C H5 3.900 2.400 4.400 3.450 3.359 3.632 . 0 0 "[ . 1]" 1
132 1 2 U H3' 1 3 G H8 3.900 2.500 4.400 3.305 3.210 3.400 . 0 0 "[ . 1]" 1
133 1 6 G H3' 1 7 C H6 3.500 2.200 4.000 2.257 2.214 2.306 . 0 0 "[ . 1]" 1
134 1 7 C H3' 1 8 C H6 3.800 2.400 4.300 3.403 3.320 3.478 . 0 0 "[ . 1]" 1
135 1 10 G H3' 1 11 U H6 3.900 2.400 4.400 3.053 2.956 3.149 . 0 0 "[ . 1]" 1
136 2 3 G H3' 2 4 A H8 3.500 2.200 4.000 2.890 2.834 2.931 . 0 0 "[ . 1]" 1
137 2 4 A H3' 2 5 G H8 3.500 2.200 4.000 3.294 3.196 3.395 . 0 0 "[ . 1]" 1
138 2 5 G H3' 2 6 G H8 4.200 2.300 4.700 4.177 4.024 4.246 . 0 0 "[ . 1]" 1
139 2 7 A H3' 2 8 C H6 3.300 2.100 3.800 2.318 2.263 2.452 . 0 0 "[ . 1]" 1
140 2 8 C H3' 2 9 A H8 3.800 2.400 4.300 3.523 3.466 3.624 . 0 0 "[ . 1]" 1
141 2 9 A H3' 2 10 C H6 3.900 2.500 4.400 3.470 3.403 3.634 . 0 0 "[ . 1]" 1
142 2 10 C H3' 2 11 U H6 3.800 2.400 4.300 3.216 2.956 3.339 . 0 0 "[ . 1]" 1
143 1 1 G H3' 1 1 G H8 3.800 2.400 4.300 2.950 2.899 3.075 . 0 0 "[ . 1]" 1
144 1 2 U H3' 1 2 U H6 3.400 2.100 3.900 2.537 2.484 2.634 . 0 0 "[ . 1]" 1
145 1 3 G H3' 1 3 G H8 3.600 2.300 4.100 2.861 2.741 2.988 . 0 0 "[ . 1]" 1
146 1 6 G H3' 1 6 G H8 3.400 2.100 3.900 3.319 3.193 3.411 . 0 0 "[ . 1]" 1
147 1 7 C H3' 1 7 C H6 3.500 2.200 4.000 2.559 2.439 2.660 . 0 0 "[ . 1]" 1
148 1 8 C H3' 1 8 C H6 3.400 2.100 3.900 2.623 2.519 2.687 . 0 0 "[ . 1]" 1
149 1 9 C H3' 1 9 C H6 3.400 2.100 3.900 2.522 2.475 2.590 . 0 0 "[ . 1]" 1
150 1 11 U H3' 1 11 U H6 3.400 2.100 3.900 2.609 2.471 2.707 . 0 0 "[ . 1]" 1
151 2 2 G H3' 2 2 G H8 3.700 2.300 4.200 2.708 2.638 2.774 . 0 0 "[ . 1]" 1
152 2 3 G H3' 2 3 G H8 3.500 2.200 4.000 3.023 2.987 3.074 . 0 0 "[ . 1]" 1
153 2 4 A H3' 2 4 A H8 3.400 2.100 3.900 2.927 2.813 3.018 . 0 0 "[ . 1]" 1
154 2 5 G H3' 2 5 G H8 3.400 2.100 3.900 2.522 2.296 2.632 . 0 0 "[ . 1]" 1
155 2 7 A H3' 2 7 A H8 3.700 2.300 4.200 3.262 3.085 3.412 . 0 0 "[ . 1]" 1
156 2 8 C H3' 2 8 C H6 3.300 2.100 3.800 2.683 2.628 2.731 . 0 0 "[ . 1]" 1
157 2 9 A H3' 2 9 A H8 3.400 2.100 3.900 2.665 2.566 2.789 . 0 0 "[ . 1]" 1
158 2 10 C H3' 2 10 C H6 3.300 2.100 3.800 2.407 2.349 2.548 . 0 0 "[ . 1]" 1
159 2 10 C H2' 2 10 C H6 3.500 2.200 4.000 3.550 3.510 3.598 . 0 0 "[ . 1]" 1
160 2 1 C H1' 2 2 G H8 6.000 3.000 6.500 4.720 4.690 4.784 . 0 0 "[ . 1]" 1
161 1 1 G H1 2 11 U H3 6.400 2.800 6.900 4.078 3.893 4.179 . 0 0 "[ . 1]" 1
162 1 2 U H1' 1 2 U H3 5.800 2.400 6.300 4.579 4.568 4.593 . 0 0 "[ . 1]" 1
163 1 2 U H3 1 3 G H1' 6.000 2.600 6.500 5.001 4.891 5.162 . 0 0 "[ . 1]" 1
164 1 3 G H1 1 4 A H2 4.800 . 5.300 3.773 3.604 4.061 . 0 0 "[ . 1]" 1
165 1 4 A H2 2 8 C H42 4.600 . 5.100 3.090 2.898 3.285 . 0 0 "[ . 1]" 1
166 1 5 A H2 1 6 G H1 6.600 2.800 7.100 5.736 5.469 5.927 . 0 0 "[ . 1]" 1
167 1 5 A H8 2 5 G H1 6.900 3.900 7.400 4.018 3.891 4.138 0.009 5 0 "[ . 1]" 1
168 1 5 A H8 2 6 G H22 3.900 . 4.400 3.259 3.074 3.508 . 0 0 "[ . 1]" 1
169 1 6 G H8 2 5 G H1 10.000 3.000 10.500 6.078 6.020 6.129 . 0 0 "[ . 1]" 1
170 1 6 G N2 1 7 C H1' 5.200 2.200 5.700 3.617 3.314 3.924 . 0 0 "[ . 1]" 1
171 1 6 G H1 1 7 C H1' 7.300 3.100 7.800 3.651 3.499 3.995 . 0 0 "[ . 1]" 1
172 1 8 C H41 2 3 G H1 3.700 . 4.200 2.634 2.558 2.710 . 0 0 "[ . 1]" 1
173 1 9 C H5 2 3 G H1 9.600 3.200 10.100 4.589 4.357 4.771 . 0 0 "[ . 1]" 1
174 2 2 G H1 2 3 G H1 5.500 2.300 6.000 4.158 4.082 4.251 . 0 0 "[ . 1]" 1
175 2 3 G H1 2 4 A H2 4.600 . 5.100 3.720 3.580 3.843 . 0 0 "[ . 1]" 1
176 2 5 G H1 2 6 G H1 4.800 . 5.300 3.590 3.398 3.880 . 0 0 "[ . 1]" 1
177 2 5 G H1 2 6 G N2 5.500 . 6.000 3.015 2.957 3.094 . 0 0 "[ . 1]" 1
178 1 4 A H2 2 8 C N4 5.100 . 5.600 2.828 2.703 2.963 . 0 0 "[ . 1]" 1
179 1 1 G H1 2 9 A H2 5.500 2.200 6.000 4.679 4.396 4.942 . 0 0 "[ . 1]" 1
180 1 2 U H3 2 9 A H2 3.400 . 3.900 2.761 2.730 2.814 . 0 0 "[ . 1]" 1
181 1 3 G H1 2 9 A H2 5.900 2.500 6.400 4.652 4.525 4.824 . 0 0 "[ . 1]" 1
182 1 3 G H1 2 9 A N6 5.400 . 5.900 3.737 3.557 3.984 . 0 0 "[ . 1]" 1
183 1 2 U H3 2 10 C H1' 6.500 2.700 7.000 5.548 5.103 5.835 . 0 0 "[ . 1]" 1
184 2 10 C N4 2 11 U H3 6.100 . 6.600 3.679 3.462 3.780 . 0 0 "[ . 1]" 1
185 1 10 G H1 1 11 U H3 6.400 2.800 6.900 3.742 3.498 4.087 . 0 0 "[ . 1]" 1
186 1 4 A H2' 2 6 G H22 4.100 . 4.600 2.390 2.326 2.460 . 0 0 "[ . 1]" 1
187 1 5 A H3' 2 5 G H1 9.000 3.000 9.500 4.847 4.692 4.977 . 0 0 "[ . 1]" 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 35
_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]"
1 2 U 0.000 0.000 . 0 "[ . 1]"
1 3 G 0.000 0.000 . 0 "[ . 1]"
1 4 A 0.000 0.000 . 0 "[ . 1]"
1 5 A 0.000 0.000 . 0 "[ . 1]"
1 7 C 0.000 0.000 . 0 "[ . 1]"
1 8 C 0.000 0.000 . 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 10 G 0.000 0.000 . 0 "[ . 1]"
1 11 U 0.000 0.000 . 0 "[ . 1]"
2 1 C 0.000 0.000 . 0 "[ . 1]"
2 2 G 0.000 0.000 . 0 "[ . 1]"
2 3 G 0.000 0.000 . 0 "[ . 1]"
2 4 A 0.000 0.000 . 0 "[ . 1]"
2 5 G 0.000 0.000 . 0 "[ . 1]"
2 6 G 0.000 0.000 . 0 "[ . 1]"
2 8 C 0.000 0.000 . 0 "[ . 1]"
2 9 A 0.000 0.000 . 0 "[ . 1]"
2 10 C 0.000 0.000 . 0 "[ . 1]"
2 11 U 0.000 0.000 . 0 "[ . 1]"
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 N2 1 2 U H1' 4.800 . 5.300 3.340 3.046 3.562 . 0 0 "[ . 1]" 2
2 1 1 G N2 2 11 U H1' 4.800 . 5.300 3.285 2.896 3.853 . 0 0 "[ . 1]" 2
3 1 3 G N2 1 4 A H1' 4.600 . 5.100 2.921 2.828 3.090 . 0 0 "[ . 1]" 2
4 1 3 G N2 2 9 A H1' 4.900 2.100 5.400 3.974 3.690 4.373 . 0 0 "[ . 1]" 2
5 1 9 C H1' 2 3 G N2 5.100 2.100 5.600 3.399 3.287 3.553 . 0 0 "[ . 1]" 2
6 2 3 G N2 2 4 A H1' 5.200 2.200 5.700 2.805 2.684 2.987 . 0 0 "[ . 1]" 2
7 1 10 G N2 1 11 U H1' 4.800 . 5.300 3.207 2.949 3.624 . 0 0 "[ . 1]" 2
8 1 10 G N2 2 2 G H1' 4.800 . 5.300 3.560 3.323 3.734 . 0 0 "[ . 1]" 2
9 1 5 A H5'' 2 5 G H1 10.000 4.000 10.500 5.257 5.143 5.363 . 0 0 "[ . 1]" 2
10 1 7 C H41 2 4 A H2 4.500 . 5.000 2.565 2.493 2.711 . 0 0 "[ . 1]" 2
11 1 7 C H42 2 4 A H2 3.900 . 4.400 4.212 4.147 4.329 . 0 0 "[ . 1]" 2
12 1 2 U H3 2 9 A H61 3.500 . 4.000 2.535 2.507 2.564 . 0 0 "[ . 1]" 2
13 1 1 G H1 2 10 C H41 3.400 . 3.900 2.817 2.770 2.843 . 0 0 "[ . 1]" 2
14 1 4 A H2 2 6 G H8 5.200 2.200 5.700 5.282 5.258 5.301 . 0 0 "[ . 1]" 2
15 1 7 C N4 2 5 G H21 5.300 2.300 5.800 3.247 3.115 3.316 . 0 0 "[ . 1]" 2
16 1 7 C H42 2 5 G H1' 7.500 2.500 8.000 6.316 6.006 6.558 . 0 0 "[ . 1]" 2
17 1 10 G H1' 2 2 G N2 4.600 . 5.100 3.540 3.278 3.859 . 0 0 "[ . 1]" 2
18 2 2 G N2 2 3 G H1' 4.600 . 5.100 3.214 3.141 3.324 . 0 0 "[ . 1]" 2
19 1 1 G H1 2 10 C N3 2.400 . 2.900 1.968 1.955 1.981 . 0 0 "[ . 1]" 2
20 1 1 G O6 2 10 C H41 2.400 . 2.900 1.955 1.939 2.001 . 0 0 "[ . 1]" 2
21 1 1 G H22 2 10 C O2 2.400 . 2.900 1.853 1.840 1.863 . 0 0 "[ . 1]" 2
22 1 2 U H3 2 9 A N1 2.400 . 2.900 1.958 1.944 1.976 . 0 0 "[ . 1]" 2
23 1 2 U O4 2 9 A H61 2.400 . 2.900 1.922 1.900 1.952 . 0 0 "[ . 1]" 2
24 1 3 G H1 2 8 C N3 2.400 . 2.900 1.959 1.941 1.972 . 0 0 "[ . 1]" 2
25 1 3 G O6 2 8 C H41 2.400 . 2.900 1.935 1.899 1.982 . 0 0 "[ . 1]" 2
26 1 3 G H22 2 8 C O2 2.400 . 2.900 1.835 1.814 1.856 . 0 0 "[ . 1]" 2
27 1 8 C N3 2 3 G H1 2.400 . 2.900 1.969 1.962 1.975 . 0 0 "[ . 1]" 2
28 1 8 C H41 2 3 G O6 2.400 . 2.900 1.969 1.951 1.996 . 0 0 "[ . 1]" 2
29 1 8 C O2 2 3 G H22 2.400 . 2.900 1.836 1.817 1.846 . 0 0 "[ . 1]" 2
30 1 9 C N3 2 2 G H1 2.400 . 2.900 1.946 1.925 1.972 . 0 0 "[ . 1]" 2
31 1 9 C H41 2 2 G O6 2.400 . 2.900 1.914 1.884 1.946 . 0 0 "[ . 1]" 2
32 1 9 C O2 2 2 G H22 2.400 . 2.900 1.843 1.832 1.858 . 0 0 "[ . 1]" 2
33 1 10 G H1 2 1 C N3 2.400 . 2.900 1.946 1.934 1.971 . 0 0 "[ . 1]" 2
34 1 10 G O6 2 1 C H41 2.400 . 2.900 1.931 1.897 1.948 . 0 0 "[ . 1]" 2
35 1 10 G H22 2 1 C O2 2.400 . 2.900 1.858 1.842 1.883 . 0 0 "[ . 1]" 2
stop_
save_
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