NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370674 |
1bz3   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bz3
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 9
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.043
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 U 0.000 0.000 . 0 "[ ]"
1 2 C 0.043 0.023 1 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 2 C H1' 1 2 C H6 . 3.300 3.700 3.704 3.704 3.704 0.004 1 0 "[ ]" 1
2 1 2 C H3' 1 2 C H6 . 2.600 3.000 2.585 2.585 2.585 0.015 1 0 "[ ]" 1
3 1 1 U H3' 1 2 C H6 . 2.400 3.700 3.700 3.700 3.700 . 0 0 "[ ]" 1
4 1 1 U H2' 1 2 C H6 . 2.400 3.700 2.511 2.511 2.511 . 0 0 "[ ]" 1
5 1 2 C H1' 1 2 C H2' . 2.500 2.900 2.792 2.792 2.792 . 0 0 "[ ]" 1
6 1 2 C H1' 1 2 C H4' . 2.600 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
7 1 1 U H1' 1 2 C H6 . 4.500 19.000 5.213 5.213 5.213 . 0 0 "[ ]" 1
8 1 2 C H5' 1 2 C H6 . 3.600 5.600 4.113 4.113 4.113 . 0 0 "[ ]" 1
9 1 2 C H5'' 1 2 C H6 . 3.600 5.600 4.254 4.254 4.254 . 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 260
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 7.035
_Distance_constraint_stats_list.Viol_max 0.635
_Distance_constraint_stats_list.Viol_rms 0.0897
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.1035
_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 C 0.033 0.022 1 0 "[ ]"
1 3 A 0.422 0.171 1 0 "[ ]"
1 4 G 0.145 0.062 1 0 "[ ]"
1 5 A 0.172 0.080 1 0 "[ ]"
1 6 C 0.180 0.063 1 0 "[ ]"
1 7 U 0.498 0.143 1 0 "[ ]"
1 8 U 0.510 0.207 1 0 "[ ]"
1 9 U 0.309 0.184 1 0 "[ ]"
1 10 U 3.926 0.635 1 1 [+]
1 11 A 3.539 0.635 1 1 [+]
1 12 A 0.748 0.230 1 0 "[ ]"
1 13 U 0.218 0.091 1 0 "[ ]"
1 14 C 0.228 0.091 1 0 "[ ]"
1 15 U 0.065 0.036 1 0 "[ ]"
1 16 G 0.163 0.065 1 0 "[ ]"
1 17 A 0.335 0.191 1 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 3 A H1' 1 3 A H8 . 3.400 3.800 3.830 3.830 3.830 0.030 1 0 "[ ]" 2
2 1 3 A H3' 1 3 A H8 . 2.800 3.200 3.098 3.098 3.098 . 0 0 "[ ]" 2
3 1 3 A H2 1 16 G H1' . 2.900 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 2
4 1 3 A H2 1 4 G H1' . 2.900 3.300 3.328 3.328 3.328 0.028 1 0 "[ ]" 2
5 1 3 A H1' 1 3 A H2 . 3.700 4.100 4.271 4.271 4.271 0.171 1 0 "[ ]" 2
6 1 2 C H2' 1 3 A H8 . 2.500 2.900 2.493 2.493 2.493 0.007 1 0 "[ ]" 2
7 1 2 C H3' 1 3 A H8 . 2.900 3.700 3.722 3.722 3.722 0.022 1 0 "[ ]" 2
8 1 2 C H1' 1 3 A H8 . 4.500 19.000 4.993 4.993 4.993 . 0 0 "[ ]" 2
9 1 2 C H2' 1 3 A H1' . 4.000 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 2
10 1 3 A H1' 1 3 A H4' . 2.500 2.900 2.966 2.966 2.966 0.066 1 0 "[ ]" 2
11 1 3 A H1' 1 3 A H5' . 3.100 5.100 4.621 4.621 4.621 . 0 0 "[ ]" 2
12 1 3 A H1' 1 3 A H5'' . 3.100 5.100 5.103 5.103 5.103 0.003 1 0 "[ ]" 2
13 1 3 A H5' 1 3 A H8 . 3.600 5.600 4.438 4.438 4.438 . 0 0 "[ ]" 2
14 1 3 A H5'' 1 3 A H8 . 3.600 5.600 4.787 4.787 4.787 . 0 0 "[ ]" 2
15 1 4 G H21 1 14 C O2 . . 2.000 2.000 2.000 2.000 . 0 0 "[ ]" 2
16 1 4 G H1 1 14 C N3 . . 2.000 1.954 1.954 1.954 . 0 0 "[ ]" 2
17 1 4 G O6 1 14 C H41 . . 2.000 2.009 2.009 2.009 0.009 1 0 "[ ]" 2
18 1 4 G H1' 1 4 G H8 . 3.600 4.000 3.864 3.864 3.864 . 0 0 "[ ]" 2
19 1 3 A H1' 1 4 G H8 . 4.500 19.000 5.127 5.127 5.127 . 0 0 "[ ]" 2
20 1 3 A H3' 1 4 G H8 . 2.900 3.300 3.362 3.362 3.362 0.062 1 0 "[ ]" 2
21 1 3 A H2' 1 4 G H8 . 2.500 2.900 2.477 2.477 2.477 0.023 1 0 "[ ]" 2
22 1 4 G H1' 1 4 G H2' . 2.600 3.000 2.755 2.755 2.755 . 0 0 "[ ]" 2
23 1 4 G H5' 1 4 G H8 . 3.400 5.400 4.222 4.222 4.222 . 0 0 "[ ]" 2
24 1 4 G H5'' 1 4 G H8 . 3.400 5.400 4.360 4.360 4.360 . 0 0 "[ ]" 2
25 1 5 A N1 1 13 U H3 . . 2.500 2.107 2.107 2.107 . 0 0 "[ ]" 2
26 1 5 A H61 1 13 U O4 . . 2.500 2.340 2.340 2.340 . 0 0 "[ ]" 2
27 1 5 A H2 1 13 U O2 . 2.600 3.500 2.930 2.930 2.930 . 0 0 "[ ]" 2
28 1 4 G H3' 1 5 A H8 . 2.700 3.700 3.722 3.722 3.722 0.022 1 0 "[ ]" 2
29 1 4 G H2' 1 5 A H8 . 2.300 2.700 2.510 2.510 2.510 . 0 0 "[ ]" 2
30 1 5 A H1' 1 5 A H8 . 3.400 3.800 3.809 3.809 3.809 0.009 1 0 "[ ]" 2
31 1 5 A H2 1 6 C H1' . 2.600 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 2
32 1 5 A H2 1 14 C H1' . 2.600 3.000 3.012 3.012 3.012 0.012 1 0 "[ ]" 2
33 1 5 A H8 1 6 C H5 . 3.200 3.600 3.628 3.628 3.628 0.028 1 0 "[ ]" 2
34 1 4 G H1' 1 5 A H8 . 4.500 19.000 5.076 5.076 5.076 . 0 0 "[ ]" 2
35 1 5 A H1' 1 5 A H4' . 2.400 2.800 2.880 2.880 2.880 0.080 1 0 "[ ]" 2
36 1 4 G H2' 1 5 A H1' . 4.000 5.000 4.082 4.082 4.082 . 0 0 "[ ]" 2
37 1 5 A H5' 1 5 A H8 . 3.200 5.200 4.355 4.355 4.355 . 0 0 "[ ]" 2
38 1 5 A H5'' 1 5 A H8 . 3.200 5.200 4.593 4.593 4.593 . 0 0 "[ ]" 2
39 1 5 A H2' 1 6 C H6 . 2.300 2.700 2.487 2.487 2.487 . 0 0 "[ ]" 2
40 1 6 C H1' 1 6 C H6 . 3.300 3.700 3.666 3.666 3.666 . 0 0 "[ ]" 2
41 1 6 C H6 1 7 U H2' . 4.500 19.000 8.241 8.241 8.241 . 0 0 "[ ]" 2
42 1 6 C H6 1 7 U H3' . 4.500 19.000 8.433 8.433 8.433 . 0 0 "[ ]" 2
43 1 5 A H1' 1 6 C H6 . 4.500 19.000 5.050 5.050 5.050 . 0 0 "[ ]" 2
44 1 6 C N3 1 12 A H61 . . 2.000 2.018 2.018 2.018 0.018 1 0 "[ ]" 2
45 1 6 C O2 1 12 A H1 . . 2.000 1.901 1.901 1.901 . 0 0 "[ ]" 2
46 1 6 C H2' 1 7 U H6 . 2.700 3.100 2.885 2.885 2.885 . 0 0 "[ ]" 2
47 1 7 U H1' 1 7 U H6 . 3.100 4.500 3.723 3.723 3.723 . 0 0 "[ ]" 2
48 1 6 C H3' 1 7 U H6 . 2.900 3.700 3.751 3.751 3.751 0.051 1 0 "[ ]" 2
49 1 7 U H2' 1 7 U H6 . 2.400 2.800 2.712 2.712 2.712 . 0 0 "[ ]" 2
50 1 7 U H3' 1 7 U H6 . 2.500 2.900 2.975 2.975 2.975 0.075 1 0 "[ ]" 2
51 1 6 C H1' 1 7 U H6 . 4.500 19.000 5.637 5.637 5.637 . 0 0 "[ ]" 2
52 1 7 U H6 1 8 U H5 . 4.500 19.000 6.840 6.840 6.840 . 0 0 "[ ]" 2
53 1 6 C H6 1 7 U H5 . 4.500 19.000 5.250 5.250 5.250 . 0 0 "[ ]" 2
54 1 6 C H5 1 7 U H6 . 4.500 19.000 6.883 6.883 6.883 . 0 0 "[ ]" 2
55 1 7 U H1' 1 9 U H4' . 4.500 19.000 6.628 6.628 6.628 . 0 0 "[ ]" 2
56 1 7 U H1' 1 7 U H4' . 2.700 3.100 3.106 3.106 3.106 0.006 1 0 "[ ]" 2
57 1 6 C H2' 1 7 U H1' . 3.200 3.600 3.663 3.663 3.663 0.063 1 0 "[ ]" 2
58 1 7 U H1' 1 8 U H1' . 4.500 19.000 6.283 6.283 6.283 . 0 0 "[ ]" 2
59 1 7 U H1' 1 8 U H2' . 2.900 3.300 3.443 3.443 3.443 0.143 1 0 "[ ]" 2
60 1 7 U H1' 1 8 U H3' . 3.000 4.500 4.270 4.270 4.270 . 0 0 "[ ]" 2
61 1 7 U H1' 1 8 U H6 . 3.200 3.600 3.615 3.615 3.615 0.015 1 0 "[ ]" 2
62 1 8 U H3' 1 8 U H6 . 2.400 2.800 3.007 3.007 3.007 0.207 1 0 "[ ]" 2
63 1 7 U H2' 1 8 U H6 . 4.000 5.000 4.608 4.608 4.608 . 0 0 "[ ]" 2
64 1 7 U H4' 1 8 U H5 . 2.900 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 2
65 1 7 U H1' 1 8 U H5 . 3.500 4.500 3.706 3.706 3.706 . 0 0 "[ ]" 2
66 1 7 U H3' 1 8 U H6 . 4.500 19.000 5.166 5.166 5.166 . 0 0 "[ ]" 2
67 1 7 U H3' 1 8 U H5 . 4.500 19.000 5.498 5.498 5.498 . 0 0 "[ ]" 2
68 1 7 U H2' 1 8 U H5 . 4.500 19.000 5.610 5.610 5.610 . 0 0 "[ ]" 2
69 1 7 U H4' 1 8 U H6 . 4.500 19.000 4.361 4.361 4.361 0.139 1 0 "[ ]" 2
70 1 7 U H2' 1 8 U H1' . 4.500 19.000 7.173 7.173 7.173 . 0 0 "[ ]" 2
71 1 7 U H3' 1 8 U H1' . 4.500 19.000 8.362 8.362 8.362 . 0 0 "[ ]" 2
72 1 7 U H5 1 8 U H6 . 4.500 19.000 8.627 8.627 8.627 . 0 0 "[ ]" 2
73 1 7 U H6 1 8 U H6 . 4.500 19.000 6.685 6.685 6.685 . 0 0 "[ ]" 2
74 1 8 U H1' 1 9 U H3' . 4.500 19.000 7.832 7.832 7.832 . 0 0 "[ ]" 2
75 1 8 U H1' 1 9 U H2' . 4.500 19.000 9.525 9.525 9.525 . 0 0 "[ ]" 2
76 1 8 U H6 1 9 U H5 . 4.500 19.000 8.130 8.130 8.130 . 0 0 "[ ]" 2
77 1 8 U H6 1 10 U H5 . 4.500 19.000 16.868 16.868 16.868 . 0 0 "[ ]" 2
78 1 8 U H5 1 10 U H6 . 4.500 19.000 17.438 17.438 17.438 . 0 0 "[ ]" 2
79 1 8 U H5 1 12 A H1' . 4.500 19.000 8.195 8.195 8.195 . 0 0 "[ ]" 2
80 1 8 U H6 1 12 A H2 . 4.500 19.000 5.885 5.885 5.885 . 0 0 "[ ]" 2
81 1 8 U H1' 1 12 A H8 . 4.500 19.000 9.326 9.326 9.326 . 0 0 "[ ]" 2
82 1 8 U H5 1 12 A H2 . 4.500 19.000 5.757 5.757 5.757 . 0 0 "[ ]" 2
83 1 9 U H1' 1 9 U H6 . 2.800 4.500 3.688 3.688 3.688 . 0 0 "[ ]" 2
84 1 9 U H2' 1 9 U H6 . 2.400 2.800 2.390 2.390 2.390 0.010 1 0 "[ ]" 2
85 1 9 U H3' 1 9 U H6 . 2.400 2.800 2.984 2.984 2.984 0.184 1 0 "[ ]" 2
86 1 9 U H6 1 12 A H1' . 4.500 19.000 8.291 8.291 8.291 . 0 0 "[ ]" 2
87 1 9 U H5 1 12 A H1' . 4.500 19.000 10.281 10.281 10.281 . 0 0 "[ ]" 2
88 1 7 U H1' 1 9 U H5 . 4.500 19.000 8.127 8.127 8.127 . 0 0 "[ ]" 2
89 1 7 U H2' 1 9 U H6 . 4.500 19.000 5.497 5.497 5.497 . 0 0 "[ ]" 2
90 1 7 U H3' 1 9 U H6 . 4.500 19.000 7.200 7.200 7.200 . 0 0 "[ ]" 2
91 1 7 U H2' 1 9 U H5 . 4.000 19.000 5.456 5.456 5.456 . 0 0 "[ ]" 2
92 1 7 U H4' 1 9 U H5 . 4.500 19.000 9.080 9.080 9.080 . 0 0 "[ ]" 2
93 1 7 U H3' 1 9 U H5 . 4.500 19.000 6.452 6.452 6.452 . 0 0 "[ ]" 2
94 1 8 U H3' 1 9 U H5 . 4.500 19.000 5.573 5.573 5.573 . 0 0 "[ ]" 2
95 1 8 U H1' 1 9 U H5 . 4.500 19.000 9.149 9.149 9.149 . 0 0 "[ ]" 2
96 1 8 U H2' 1 9 U H5 . 4.500 19.000 7.539 7.539 7.539 . 0 0 "[ ]" 2
97 1 9 U H2' 1 9 U H5 . 4.500 19.000 4.460 4.460 4.460 0.040 1 0 "[ ]" 2
98 1 8 U H4' 1 9 U H5 . 4.000 19.000 6.754 6.754 6.754 . 0 0 "[ ]" 2
99 1 8 U H2' 1 9 U H1' . 4.500 19.000 7.254 7.254 7.254 . 0 0 "[ ]" 2
100 1 9 U H1' 1 10 U H4' . 4.500 19.000 5.953 5.953 5.953 . 0 0 "[ ]" 2
101 1 9 U H1' 1 11 A H2' . 4.500 19.000 7.085 7.085 7.085 . 0 0 "[ ]" 2
102 1 8 U H5 1 9 U H6 . 4.500 19.000 9.918 9.918 9.918 . 0 0 "[ ]" 2
103 1 7 U H5 1 9 U H6 . 4.500 19.000 7.498 7.498 7.498 . 0 0 "[ ]" 2
104 1 9 U H6 1 10 U H6 . 4.500 19.000 9.041 9.041 9.041 . 0 0 "[ ]" 2
105 1 9 U H1' 1 10 U H5' . 4.500 19.000 4.481 4.481 4.481 0.019 1 0 "[ ]" 2
106 1 8 U H5' 1 9 U H6 . 4.500 19.000 7.602 7.602 7.602 . 0 0 "[ ]" 2
107 1 8 U H5'' 1 9 U H6 . 4.500 19.000 6.607 6.607 6.607 . 0 0 "[ ]" 2
108 1 9 U H5' 1 9 U H6 . 3.100 5.100 4.026 4.026 4.026 . 0 0 "[ ]" 2
109 1 9 U H5'' 1 9 U H6 . 3.100 5.100 4.040 4.040 4.040 . 0 0 "[ ]" 2
110 1 8 U H5' 1 9 U H5 . 4.500 19.000 7.331 7.331 7.331 . 0 0 "[ ]" 2
111 1 8 U H5'' 1 9 U H5 . 4.500 19.000 6.161 6.161 6.161 . 0 0 "[ ]" 2
112 1 8 U H1' 1 9 U H6 . 4.500 19.000 8.130 8.130 8.130 . 0 0 "[ ]" 2
113 1 7 U H1' 1 9 U H6 . 4.500 19.000 7.646 7.646 7.646 . 0 0 "[ ]" 2
114 1 8 U H4' 1 9 U H6 . 4.500 19.000 6.401 6.401 6.401 . 0 0 "[ ]" 2
115 1 10 U H2' 1 10 U H6 . 2.400 2.800 1.970 1.970 1.970 0.430 1 0 "[ ]" 2
116 1 10 U H3' 1 10 U H6 . 2.500 3.500 4.127 4.127 4.127 0.627 1 1 [+] 2
117 1 9 U H1' 1 10 U H6 . 4.500 19.000 7.975 7.975 7.975 . 0 0 "[ ]" 2
118 1 9 U H3' 1 10 U H6 . 4.500 19.000 6.897 6.897 6.897 . 0 0 "[ ]" 2
119 1 9 U H2' 1 10 U H6 . 4.500 19.000 6.709 6.709 6.709 . 0 0 "[ ]" 2
120 1 9 U H5' 1 10 U H6 . 4.500 19.000 10.119 10.119 10.119 . 0 0 "[ ]" 2
121 1 9 U H5'' 1 10 U H6 . 4.500 19.000 8.899 8.899 8.899 . 0 0 "[ ]" 2
122 1 10 U H5' 1 10 U H6 . 3.500 5.500 3.750 3.750 3.750 . 0 0 "[ ]" 2
123 1 10 U H5'' 1 10 U H6 . 3.500 5.500 5.187 5.187 5.187 . 0 0 "[ ]" 2
124 1 10 U H6 1 11 A H1' . 4.500 19.000 6.550 6.550 6.550 . 0 0 "[ ]" 2
125 1 10 U H6 1 11 A H2' . 4.500 19.000 8.667 8.667 8.667 . 0 0 "[ ]" 2
126 1 10 U H6 1 11 A H3' . 4.500 19.000 8.523 8.523 8.523 . 0 0 "[ ]" 2
127 1 10 U H1' 1 11 A H1' . 4.500 19.000 6.831 6.831 6.831 . 0 0 "[ ]" 2
128 1 7 U H2' 1 10 U H6 . 4.500 19.000 13.598 13.598 13.598 . 0 0 "[ ]" 2
129 1 9 U H4' 1 10 U H6 . 4.500 19.000 8.247 8.247 8.247 . 0 0 "[ ]" 2
130 1 9 U H1' 1 10 U H1' . 4.500 19.000 8.442 8.442 8.442 . 0 0 "[ ]" 2
131 1 10 U H1' 1 10 U H4' . 2.600 3.000 3.139 3.139 3.139 0.139 1 0 "[ ]" 2
132 1 9 U H2' 1 10 U H1' . 4.500 19.000 8.450 8.450 8.450 . 0 0 "[ ]" 2
133 1 9 U H5 1 10 U H5 . 4.000 19.000 11.736 11.736 11.736 . 0 0 "[ ]" 2
134 1 9 U H6 1 10 U H5 . 4.000 19.000 10.052 10.052 10.052 . 0 0 "[ ]" 2
135 1 9 U H3' 1 10 U H5 . 4.000 19.000 8.215 8.215 8.215 . 0 0 "[ ]" 2
136 1 10 U H2' 1 11 A H8 . 3.000 4.500 5.119 5.119 5.119 0.619 1 1 [+] 2
137 1 10 U H3' 1 11 A H8 . 3.200 4.500 3.213 3.213 3.213 . 0 0 "[ ]" 2
138 1 11 A H1' 1 11 A H8 . 3.100 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 2
139 1 11 A H2 1 12 A H1' . 3.200 3.600 3.649 3.649 3.649 0.049 1 0 "[ ]" 2
140 1 11 A H2' 1 11 A H8 . 2.800 3.200 3.056 3.056 3.056 . 0 0 "[ ]" 2
141 1 11 A H3' 1 11 A H8 . 2.900 3.300 3.360 3.360 3.360 0.060 1 0 "[ ]" 2
142 1 10 U H1' 1 11 A H8 . 4.000 5.000 5.303 5.303 5.303 0.303 1 0 "[ ]" 2
143 1 10 U H2' 1 11 A H1' . 4.000 19.000 4.901 4.901 4.901 . 0 0 "[ ]" 2
144 1 10 U H3' 1 11 A H1' . 4.000 19.000 3.626 3.626 3.626 0.374 1 0 "[ ]" 2
145 1 10 U H4' 1 11 A H8 . 3.300 4.500 2.783 2.783 2.783 0.517 1 1 [+] 2
146 1 11 A H1' 1 11 A H2' . 2.800 3.200 2.815 2.815 2.815 . 0 0 "[ ]" 2
147 1 11 A H1' 1 11 A H4' . 3.000 3.400 3.246 3.246 3.246 . 0 0 "[ ]" 2
148 1 10 U H5' 1 11 A H8 . 3.600 5.600 4.793 4.793 4.793 . 0 0 "[ ]" 2
149 1 10 U H5'' 1 11 A H8 . 3.600 5.600 3.423 3.423 3.423 0.177 1 0 "[ ]" 2
150 1 9 U H5' 1 11 A H8 . 4.500 19.000 8.704 8.704 8.704 . 0 0 "[ ]" 2
151 1 9 U H5'' 1 11 A H8 . 4.500 19.000 8.458 8.458 8.458 . 0 0 "[ ]" 2
152 1 9 U C5' 1 11 A H2 . 4.300 4.700 4.655 4.655 4.655 . 0 0 "[ ]" 2
153 1 9 U H4' 1 11 A H2 . 3.200 3.600 3.176 3.176 3.176 0.024 1 0 "[ ]" 2
154 1 9 U H5' 1 11 A H1' . 3.200 19.000 5.678 5.678 5.678 . 0 0 "[ ]" 2
155 1 9 U H5'' 1 11 A H1' . 3.200 19.000 5.123 5.123 5.123 . 0 0 "[ ]" 2
156 1 10 U H5' 1 11 A H1' . 3.300 5.300 4.356 4.356 4.356 . 0 0 "[ ]" 2
157 1 10 U H5'' 1 11 A H1' . 3.300 5.300 3.214 3.214 3.214 0.086 1 0 "[ ]" 2
158 1 9 U H4' 1 11 A H1' . 3.200 3.600 3.619 3.619 3.619 0.019 1 0 "[ ]" 2
159 1 9 U H1' 1 11 A H1' . 3.500 19.000 5.231 5.231 5.231 . 0 0 "[ ]" 2
160 1 9 U H2' 1 11 A H1' . 4.500 19.000 5.994 5.994 5.994 . 0 0 "[ ]" 2
161 1 11 A H2 1 12 A H2 . 4.000 5.000 3.971 3.971 3.971 0.029 1 0 "[ ]" 2
162 1 7 U H1' 1 11 A H2 . 4.500 19.000 5.289 5.289 5.289 . 0 0 "[ ]" 2
163 1 7 U H2' 1 11 A H8 . 4.500 19.000 11.472 11.472 11.472 . 0 0 "[ ]" 2
164 1 8 U H1' 1 11 A H2 . 4.500 19.000 7.479 7.479 7.479 . 0 0 "[ ]" 2
165 1 8 U H6 1 11 A H2 . 4.500 19.000 7.259 7.259 7.259 . 0 0 "[ ]" 2
166 1 8 U H5 1 11 A H2 . 4.500 19.000 8.317 8.317 8.317 . 0 0 "[ ]" 2
167 1 8 U H2' 1 11 A H2 . 4.500 19.000 5.109 5.109 5.109 . 0 0 "[ ]" 2
168 1 7 U H2' 1 11 A H2 . 4.500 19.000 5.898 5.898 5.898 . 0 0 "[ ]" 2
169 1 8 U H3' 1 11 A H2 . 4.500 19.000 5.916 5.916 5.916 . 0 0 "[ ]" 2
170 1 11 A H2 1 12 A H4' . 4.500 19.000 6.722 6.722 6.722 . 0 0 "[ ]" 2
171 1 11 A H2 1 12 A H3' . 4.500 19.000 6.504 6.504 6.504 . 0 0 "[ ]" 2
172 1 11 A H2 1 12 A H2' . 4.500 19.000 5.320 5.320 5.320 . 0 0 "[ ]" 2
173 1 11 A H2 1 12 A H5' . 4.500 19.000 7.316 7.316 7.316 . 0 0 "[ ]" 2
174 1 11 A H2 1 12 A H5'' . 4.500 19.000 8.155 8.155 8.155 . 0 0 "[ ]" 2
175 1 11 A H5' 1 11 A H8 . 3.400 5.400 4.156 4.156 4.156 . 0 0 "[ ]" 2
176 1 11 A H5'' 1 11 A H8 . 3.400 5.400 4.298 4.298 4.298 . 0 0 "[ ]" 2
177 1 9 U H2' 1 11 A H2 . 4.500 19.000 6.853 6.853 6.853 . 0 0 "[ ]" 2
178 1 9 U H1' 1 11 A H2 . 4.500 19.000 4.667 4.667 4.667 . 0 0 "[ ]" 2
179 1 9 U H3' 1 11 A H2 . 4.500 19.000 6.056 6.056 6.056 . 0 0 "[ ]" 2
180 1 9 U H2' 1 11 A H8 . 4.500 19.000 8.111 8.111 8.111 . 0 0 "[ ]" 2
181 1 9 U H1' 1 11 A H8 . 4.500 19.000 6.650 6.650 6.650 . 0 0 "[ ]" 2
182 1 9 U H5 1 11 A H2 . 4.500 19.000 8.584 8.584 8.584 . 0 0 "[ ]" 2
183 1 9 U H6 1 11 A H2 . 4.500 19.000 6.751 6.751 6.751 . 0 0 "[ ]" 2
184 1 7 U H6 1 11 A H2 . 4.500 19.000 6.489 6.489 6.489 . 0 0 "[ ]" 2
185 1 7 U H5 1 11 A H2 . 4.500 19.000 6.210 6.210 6.210 . 0 0 "[ ]" 2
186 1 10 U H5 1 11 A H2 . 4.500 19.000 12.608 12.608 12.608 . 0 0 "[ ]" 2
187 1 11 A H2 1 13 U H6 . 4.500 19.000 6.468 6.468 6.468 . 0 0 "[ ]" 2
188 1 11 A H2 1 13 U H5 . 4.500 19.000 6.386 6.386 6.386 . 0 0 "[ ]" 2
189 1 10 U H6 1 11 A H2 . 4.500 19.000 10.523 10.523 10.523 . 0 0 "[ ]" 2
190 1 10 U H6 1 11 A H8 . 4.500 19.000 6.982 6.982 6.982 . 0 0 "[ ]" 2
191 1 10 U H5 1 11 A H8 . 4.500 19.000 9.350 9.350 9.350 . 0 0 "[ ]" 2
192 1 11 A H1' 1 12 A H1' . 4.000 5.000 5.060 5.060 5.060 0.060 1 0 "[ ]" 2
193 1 10 U H4' 1 11 A H1' . 3.500 3.900 4.535 4.535 4.535 0.635 1 1 [+] 2
194 1 11 A H1' 1 12 A H8 . 2.800 4.500 4.625 4.625 4.625 0.125 1 0 "[ ]" 2
195 1 12 A H1' 1 12 A H8 . 3.500 3.900 3.737 3.737 3.737 . 0 0 "[ ]" 2
196 1 12 A H2 1 13 U H1' . 2.800 3.200 2.792 2.792 2.792 0.008 1 0 "[ ]" 2
197 1 7 U H1' 1 12 A H2 . 3.400 3.800 3.605 3.605 3.605 . 0 0 "[ ]" 2
198 1 11 A H2' 1 12 A H8 . 2.800 3.200 2.570 2.570 2.570 0.230 1 0 "[ ]" 2
199 1 11 A H2' 1 12 A H1' . 4.000 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 2
200 1 8 U H2' 1 12 A H1' . 4.500 19.000 4.753 4.753 4.753 . 0 0 "[ ]" 2
201 1 11 A H3' 1 12 A H8 . 3.100 3.500 3.643 3.643 3.643 0.143 1 0 "[ ]" 2
202 1 12 A H5' 1 12 A H8 . 3.700 5.700 4.059 4.059 4.059 . 0 0 "[ ]" 2
203 1 12 A H5'' 1 12 A H8 . 3.700 5.700 4.307 4.307 4.307 . 0 0 "[ ]" 2
204 1 8 U H5' 1 12 A H2 . 4.500 19.000 8.273 8.273 8.273 . 0 0 "[ ]" 2
205 1 8 U H5'' 1 12 A H2 . 4.500 19.000 9.297 9.297 9.297 . 0 0 "[ ]" 2
206 1 7 U H5' 1 12 A H2 . 4.500 19.000 7.449 7.449 7.449 . 0 0 "[ ]" 2
207 1 7 U H5'' 1 12 A H2 . 4.500 19.000 8.339 8.339 8.339 . 0 0 "[ ]" 2
208 1 7 U H4' 1 12 A H2 . 4.500 19.000 6.264 6.264 6.264 . 0 0 "[ ]" 2
209 1 8 U H5' 1 12 A H1' . 4.500 19.000 8.878 8.878 8.878 . 0 0 "[ ]" 2
210 1 8 U H5'' 1 12 A H1' . 4.500 19.000 9.299 9.299 9.299 . 0 0 "[ ]" 2
211 1 9 U H5' 1 12 A H1' . 4.500 19.000 4.487 4.487 4.487 0.013 1 0 "[ ]" 2
212 1 9 U H5'' 1 12 A H1' . 4.500 19.000 4.889 4.889 4.889 . 0 0 "[ ]" 2
213 1 8 U H4' 1 12 A H1' . 4.500 19.000 7.717 7.717 7.717 . 0 0 "[ ]" 2
214 1 8 U H3' 1 12 A H1' . 4.500 19.000 6.179 6.179 6.179 . 0 0 "[ ]" 2
215 1 8 U H2' 1 12 A H2 . 4.500 19.000 4.667 4.667 4.667 . 0 0 "[ ]" 2
216 1 9 U H2' 1 12 A H1' . 4.500 19.000 8.465 8.465 8.465 . 0 0 "[ ]" 2
217 1 9 U H3' 1 12 A H1' . 4.500 19.000 6.792 6.792 6.792 . 0 0 "[ ]" 2
218 1 11 A H2 1 12 A H8 . 4.000 19.000 4.804 4.804 4.804 . 0 0 "[ ]" 2
219 1 12 A H8 1 13 U H5 . 3.300 3.700 3.726 3.726 3.726 0.026 1 0 "[ ]" 2
220 1 6 C H1' 1 12 A H2 . 4.500 19.000 4.841 4.841 4.841 . 0 0 "[ ]" 2
221 1 6 C H2' 1 12 A H2 . 4.500 19.000 4.890 4.890 4.890 . 0 0 "[ ]" 2
222 1 7 U H2' 1 12 A H2 . 4.500 19.000 6.032 6.032 6.032 . 0 0 "[ ]" 2
223 1 9 U H5 1 12 A H2 . 4.500 19.000 10.591 10.591 10.591 . 0 0 "[ ]" 2
224 1 13 U H5 1 14 C H5 . 4.500 5.000 4.484 4.484 4.484 0.016 1 0 "[ ]" 2
225 1 13 U H6 1 14 C H5 . 4.500 19.000 4.810 4.810 4.810 . 0 0 "[ ]" 2
226 1 12 A H1' 1 13 U H6 . 4.500 19.000 5.031 5.031 5.031 . 0 0 "[ ]" 2
227 1 12 A H2' 1 13 U H6 . 2.200 2.600 2.429 2.429 2.429 . 0 0 "[ ]" 2
228 1 12 A H3' 1 13 U H6 . 2.700 3.700 3.419 3.419 3.419 . 0 0 "[ ]" 2
229 1 13 U H1' 1 13 U H6 . 3.500 3.900 3.696 3.696 3.696 . 0 0 "[ ]" 2
230 1 13 U H2' 1 13 U H6 . 2.900 3.400 3.432 3.432 3.432 0.032 1 0 "[ ]" 2
231 1 13 U H1' 1 13 U H2' . 2.600 3.000 2.766 2.766 2.766 . 0 0 "[ ]" 2
232 1 14 C H1' 1 14 C H6 . 3.300 3.700 3.726 3.726 3.726 0.026 1 0 "[ ]" 2
233 1 13 U H3' 1 14 C H6 . 2.700 3.700 3.791 3.791 3.791 0.091 1 0 "[ ]" 2
234 1 13 U H1' 1 14 C H6 . 4.500 19.000 5.011 5.011 5.011 . 0 0 "[ ]" 2
235 1 13 U H5 1 14 C H6 . 4.500 19.000 5.734 5.734 5.734 . 0 0 "[ ]" 2
236 1 14 C H1' 1 14 C H2' . 2.500 2.900 2.767 2.767 2.767 . 0 0 "[ ]" 2
237 1 13 U H2' 1 14 C H1' . 4.500 5.000 4.456 4.456 4.456 0.044 1 0 "[ ]" 2
238 1 15 U H1' 1 15 U H6 . 3.400 3.800 3.719 3.719 3.719 . 0 0 "[ ]" 2
239 1 14 C H2' 1 15 U H6 . 2.300 2.700 2.492 2.492 2.492 . 0 0 "[ ]" 2
240 1 14 C H3' 1 15 U H6 . 2.700 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 2
241 1 14 C H1' 1 15 U H6 . 4.500 19.000 5.126 5.126 5.126 . 0 0 "[ ]" 2
242 1 14 C H5 1 15 U H6 . 4.500 19.000 5.291 5.291 5.291 . 0 0 "[ ]" 2
243 1 15 U H1' 1 15 U H2' . 2.500 2.900 2.749 2.749 2.749 . 0 0 "[ ]" 2
244 1 15 U H1' 1 15 U H4' . 2.800 3.200 3.132 3.132 3.132 . 0 0 "[ ]" 2
245 1 14 C H2' 1 15 U H1' . 4.500 19.000 4.488 4.488 4.488 0.012 1 0 "[ ]" 2
246 1 16 G H1' 1 16 G H8 . 3.200 3.600 3.665 3.665 3.665 0.065 1 0 "[ ]" 2
247 1 16 G H1' 1 16 G H2' . 2.400 2.800 2.783 2.783 2.783 . 0 0 "[ ]" 2
248 1 15 U H1' 1 16 G H8 . 4.500 19.000 5.113 5.113 5.113 . 0 0 "[ ]" 2
249 1 15 U H3' 1 16 G H8 . 2.700 3.700 3.736 3.736 3.736 0.036 1 0 "[ ]" 2
250 1 15 U H5 1 16 G H8 . 4.500 19.000 5.823 5.823 5.823 . 0 0 "[ ]" 2
251 1 16 G H5' 1 16 G H8 . 3.400 5.400 4.229 4.229 4.229 . 0 0 "[ ]" 2
252 1 16 G H5'' 1 16 G H8 . 3.400 5.400 4.351 4.351 4.351 . 0 0 "[ ]" 2
253 1 17 A H1' 1 17 A H8 . 3.000 3.400 3.591 3.591 3.591 0.191 1 0 "[ ]" 2
254 1 17 A H2' 1 17 A H8 . 2.400 2.800 2.886 2.886 2.886 0.086 1 0 "[ ]" 2
255 1 17 A H1' 1 17 A H2' . 2.600 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 2
256 1 16 G H2' 1 17 A H1' . 4.000 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 2
257 1 16 G H2' 1 17 A H8 . 2.500 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 2
258 1 16 G H3' 1 17 A H8 . 2.800 3.200 3.253 3.253 3.253 0.053 1 0 "[ ]" 2
259 1 2 C H1' 1 17 A H2 . 3.000 3.400 3.405 3.405 3.405 0.005 1 0 "[ ]" 2
260 1 16 G H1' 1 17 A H8 . 4.500 19.000 5.385 5.385 5.385 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.012
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_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 U 0.012 0.006 1 0 "[ ]"
1 2 C 0.000 0.000 1 0 "[ ]"
1 16 G 0.000 0.000 1 0 "[ ]"
1 17 A 0.012 0.006 1 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 U H3 1 17 A N1 . . 2.000 1.953 1.953 1.953 . 0 0 "[ ]" 3
2 1 1 U O4 1 17 A H61 . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 3
3 1 1 U O2 1 17 A H2 . 2.600 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 3
4 1 1 U H1' 1 1 U H6 . 3.400 3.800 3.665 3.665 3.665 . 0 0 "[ ]" 3
5 1 1 U H3' 1 1 U H6 . 2.700 3.100 2.907 2.907 2.907 . 0 0 "[ ]" 3
6 1 1 U H5' 1 1 U H6 . 3.400 5.400 4.118 4.118 4.118 . 0 0 "[ ]" 3
7 1 1 U H5'' 1 1 U H6 . 3.400 5.400 4.568 4.568 4.568 . 0 0 "[ ]" 3
8 1 2 C O2 1 16 G H21 . . 2.000 2.000 2.000 2.000 0.000 1 0 "[ ]" 3
9 1 2 C N3 1 16 G H1 . . 2.000 1.972 1.972 1.972 . 0 0 "[ ]" 3
10 1 2 C H41 1 16 G O6 . . 2.000 1.877 1.877 1.877 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.044
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_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 3 A 0.044 0.028 1 0 "[ ]"
1 15 U 0.044 0.028 1 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 3 A N1 1 15 U H3 . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 4
2 1 3 A H61 1 15 U O4 . . 2.000 2.010 2.010 2.010 0.010 1 0 "[ ]" 4
3 1 3 A H2 1 15 U O2 . 2.600 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 4
stop_
save_
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