NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375509 |
1f5u   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f5u
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 25
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.042
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0210
_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 2 G 0.000 0.000 . 0 "[ ]"
1 3 U 0.000 0.000 . 0 "[ ]"
1 4 G 0.000 0.000 . 0 "[ ]"
1 5 G 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 A 0.027 0.027 1 0 "[ ]"
1 8 G 0.015 0.015 1 0 "[ ]"
1 10 C 0.015 0.015 1 0 "[ ]"
1 11 G 0.000 0.000 . 0 "[ ]"
1 12 U 0.027 0.027 1 0 "[ ]"
1 13 C 0.000 0.000 . 0 "[ ]"
1 14 C 0.000 0.000 . 0 "[ ]"
1 15 C 0.000 0.000 . 0 "[ ]"
1 16 A 0.000 0.000 . 0 "[ ]"
1 17 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 2 G H1 1 3 U H3 1.800 . 5.000 2.836 2.836 2.836 . 0 0 "[ ]" 1
2 1 3 U H3 1 4 G H1 1.800 . 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
3 1 4 G H1 1 5 G H1 1.800 . 5.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
4 1 5 G H1 1 6 G H1 1.800 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
5 1 6 G H1 1 12 U H3 1.800 . 5.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
6 1 8 G H1 1 12 U H3 1.800 . 5.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
7 1 2 G H1 1 17 C H41 1.800 . 5.000 2.324 2.324 2.324 . 0 0 "[ ]" 1
8 1 2 G H1 1 17 C H42 1.800 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
9 1 3 U H3 1 16 A H2 . 2.800 3.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
10 1 4 G H1 1 15 C H41 1.800 . 5.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
11 1 4 G H1 1 15 C H42 1.800 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
12 1 5 G H1 1 14 C H41 1.800 . 5.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
13 1 5 G H1 1 14 C H42 1.800 . 5.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
14 1 6 G H1 1 13 C H41 1.800 . 5.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
15 1 6 G H1 1 13 C H42 1.800 . 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
16 1 6 G H1 1 7 A H2 1.800 . 5.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
17 1 7 A H2 1 12 U H3 . 2.800 3.000 2.773 2.773 2.773 0.027 1 0 "[ ]" 1
18 1 7 A H61 1 12 U H3 1.800 . 5.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
19 1 7 A H62 1 12 U H3 1.800 . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
20 1 12 U H3 1 13 C H41 1.800 . 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
21 1 12 U H3 1 13 C H42 1.800 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
22 1 8 G H1 1 8 G H21 1.800 . 5.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
23 1 8 G H1 1 8 G H22 1.800 . 5.000 3.480 3.480 3.480 . 0 0 "[ ]" 1
24 1 8 G H1 1 10 C H6 1.800 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
25 1 8 G H1 1 11 G H8 1.800 . 5.000 4.039 4.039 4.039 . 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 180
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.615
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0384
_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 0.169 0.161 1 0 "[ ]"
1 2 G 0.044 0.035 1 0 "[ ]"
1 3 U 0.035 0.035 1 0 "[ ]"
1 4 G 0.000 0.000 . 0 "[ ]"
1 5 G 0.001 0.001 1 0 "[ ]"
1 6 G 0.001 0.001 1 0 "[ ]"
1 7 A 0.086 0.076 1 0 "[ ]"
1 8 G 0.105 0.076 1 0 "[ ]"
1 9 A 0.040 0.040 1 0 "[ ]"
1 10 C 0.065 0.040 1 0 "[ ]"
1 11 G 0.031 0.026 1 0 "[ ]"
1 12 U 0.039 0.026 1 0 "[ ]"
1 13 C 0.055 0.041 1 0 "[ ]"
1 14 C 0.086 0.045 1 0 "[ ]"
1 15 C 0.112 0.068 1 0 "[ ]"
1 16 A 0.098 0.068 1 0 "[ ]"
1 17 C 0.066 0.035 1 0 "[ ]"
1 18 C 0.035 0.035 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 G H1' 1 1 G H2' 1.800 . 3.200 2.723 2.723 2.723 . 0 0 "[ ]" 2
2 1 1 G H2' 1 1 G H8 2.000 . 4.000 4.161 4.161 4.161 0.161 1 0 "[ ]" 2
3 1 1 G H3' 1 1 G H8 2.500 2.500 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 2
4 1 1 G H1' 1 1 G H8 2.500 2.500 5.000 3.661 3.661 3.661 . 0 0 "[ ]" 2
5 1 1 G H8 1 2 G H8 3.000 3.000 7.000 5.297 5.297 5.297 . 0 0 "[ ]" 2
6 1 1 G H1' 1 2 G H1' 3.000 3.000 7.000 5.702 5.702 5.702 . 0 0 "[ ]" 2
7 1 2 G H1' 1 2 G H2' 1.800 . 3.200 2.755 2.755 2.755 . 0 0 "[ ]" 2
8 1 1 G H1' 1 2 G H8 2.500 2.500 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 2
9 1 2 G H1' 1 2 G H8 2.500 2.500 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 2
10 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.332 2.332 2.332 . 0 0 "[ ]" 2
11 1 1 G H3' 1 2 G H8 2.000 . 4.000 2.821 2.821 2.821 . 0 0 "[ ]" 2
12 1 2 G H2' 1 2 G H8 2.500 2.500 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 2
13 1 2 G H8 1 3 U H6 3.000 3.000 7.000 5.418 5.418 5.418 . 0 0 "[ ]" 2
14 1 2 G H8 1 3 U H5 3.000 3.000 7.000 4.466 4.466 4.466 . 0 0 "[ ]" 2
15 1 2 G H1' 1 3 U H1' 3.000 3.000 7.000 5.727 5.727 5.727 . 0 0 "[ ]" 2
16 1 3 U H1' 1 3 U H2' 1.800 . 3.200 2.779 2.779 2.779 . 0 0 "[ ]" 2
17 1 2 G H1' 1 3 U H6 2.500 2.500 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 2
18 1 2 G H2' 1 3 U H6 1.800 . 3.200 2.319 2.319 2.319 . 0 0 "[ ]" 2
19 1 3 U H1' 1 3 U H6 2.500 2.500 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 2
20 1 3 U H2' 1 3 U H6 2.000 . 4.000 3.717 3.717 3.717 . 0 0 "[ ]" 2
21 1 3 U H3' 1 3 U H6 2.500 2.500 5.000 2.580 2.580 2.580 . 0 0 "[ ]" 2
22 1 3 U H5 1 3 U H6 1.800 . 3.200 2.430 2.430 2.430 . 0 0 "[ ]" 2
23 1 3 U H6 1 4 G H8 3.000 3.000 7.000 4.187 4.187 4.187 . 0 0 "[ ]" 2
24 1 2 G H1' 1 3 U H5 3.000 3.000 7.000 5.703 5.703 5.703 . 0 0 "[ ]" 2
25 1 3 U H1' 1 3 U H5 3.000 3.000 7.000 5.377 5.377 5.377 . 0 0 "[ ]" 2
26 1 4 G H1' 1 4 G H2' 1.800 . 3.200 2.786 2.786 2.786 . 0 0 "[ ]" 2
27 1 3 U H1' 1 4 G H8 2.500 2.500 5.000 4.843 4.843 4.843 . 0 0 "[ ]" 2
28 1 3 U H2' 1 4 G H8 1.800 . 3.200 2.331 2.331 2.331 . 0 0 "[ ]" 2
29 1 3 U H3' 1 4 G H8 2.500 2.500 5.000 2.897 2.897 2.897 . 0 0 "[ ]" 2
30 1 4 G H1' 1 4 G H8 2.500 2.500 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 2
31 1 4 G H2' 1 4 G H8 2.500 2.500 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 2
32 1 4 G H3' 1 4 G H8 2.500 2.500 5.000 2.908 2.908 2.908 . 0 0 "[ ]" 2
33 1 4 G H8 1 5 G H8 3.000 3.000 7.000 4.616 4.616 4.616 . 0 0 "[ ]" 2
34 1 5 G H1' 1 5 G H2' 1.800 . 3.200 2.797 2.797 2.797 . 0 0 "[ ]" 2
35 1 4 G H1' 1 5 G H8 2.500 2.500 5.000 4.930 4.930 4.930 . 0 0 "[ ]" 2
36 1 4 G H2' 1 5 G H8 1.800 . 3.200 2.316 2.316 2.316 . 0 0 "[ ]" 2
37 1 4 G H3' 1 5 G H8 2.500 2.500 5.000 3.204 3.204 3.204 . 0 0 "[ ]" 2
38 1 5 G H1' 1 5 G H8 2.500 2.500 5.000 3.801 3.801 3.801 . 0 0 "[ ]" 2
39 1 5 G H2' 1 5 G H8 2.500 2.500 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 2
40 1 5 G H3' 1 5 G H8 2.000 . 4.000 2.951 2.951 2.951 . 0 0 "[ ]" 2
41 1 5 G H4' 1 5 G H8 2.500 2.500 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 2
42 1 5 G H8 1 6 G H8 3.000 3.000 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 2
43 1 6 G H1' 1 6 G H2' 1.800 . 3.200 2.781 2.781 2.781 . 0 0 "[ ]" 2
44 1 5 G H1' 1 6 G H8 2.500 2.500 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 2
45 1 5 G H2' 1 6 G H8 1.800 . 3.200 2.316 2.316 2.316 . 0 0 "[ ]" 2
46 1 5 G H3' 1 6 G H8 2.000 . 4.000 3.229 3.229 3.229 . 0 0 "[ ]" 2
47 1 6 G H1' 1 6 G H8 2.500 2.500 5.000 3.829 3.829 3.829 . 0 0 "[ ]" 2
48 1 6 G H2' 1 6 G H8 2.000 . 4.000 3.792 3.792 3.792 . 0 0 "[ ]" 2
49 1 6 G H3' 1 6 G H8 2.000 . 4.000 2.721 2.721 2.721 . 0 0 "[ ]" 2
50 1 6 G H4' 1 6 G H8 2.500 2.500 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 2
51 1 6 G H8 1 7 A H8 2.500 2.500 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 2
52 1 6 G H1' 1 7 A H1' 3.000 3.000 7.000 5.447 5.447 5.447 . 0 0 "[ ]" 2
53 1 7 A H1' 1 7 A H2' 1.800 . 3.200 2.806 2.806 2.806 . 0 0 "[ ]" 2
54 1 6 G H1' 1 7 A H8 2.500 2.500 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 2
55 1 6 G H2' 1 7 A H8 1.800 . 3.200 2.328 2.328 2.328 . 0 0 "[ ]" 2
56 1 6 G H3' 1 7 A H8 2.500 2.500 5.000 3.244 3.244 3.244 . 0 0 "[ ]" 2
57 1 7 A H1' 1 7 A H8 2.500 2.500 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 2
58 1 7 A H2' 1 7 A H8 2.000 . 4.000 3.902 3.902 3.902 . 0 0 "[ ]" 2
59 1 7 A H3' 1 7 A H8 2.000 . 4.000 3.139 3.139 3.139 . 0 0 "[ ]" 2
60 1 7 A H8 1 8 G H8 3.000 3.000 7.000 4.981 4.981 4.981 . 0 0 "[ ]" 2
61 1 7 A H2 1 13 C H1' 2.500 2.500 5.000 3.206 3.206 3.206 . 0 0 "[ ]" 2
62 1 7 A H2 1 8 G H1' 2.500 2.500 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 2
63 1 7 A H1' 1 7 A H2 3.000 3.000 7.000 4.693 4.693 4.693 . 0 0 "[ ]" 2
64 1 7 A H2 1 8 G H8 3.000 3.000 7.000 5.836 5.836 5.836 . 0 0 "[ ]" 2
65 1 8 G H1' 1 8 G H2' 1.800 . 3.200 2.821 2.821 2.821 . 0 0 "[ ]" 2
66 1 7 A H1' 1 8 G H8 2.500 2.500 5.000 5.076 5.076 5.076 0.076 1 0 "[ ]" 2
67 1 7 A H2' 1 8 G H8 1.800 . 3.200 2.304 2.304 2.304 . 0 0 "[ ]" 2
68 1 7 A H3' 1 8 G H8 2.500 2.500 5.000 3.163 3.163 3.163 . 0 0 "[ ]" 2
69 1 8 G H1' 1 8 G H8 2.500 2.500 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 2
70 1 8 G H2' 1 8 G H8 2.500 2.500 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 2
71 1 8 G H3' 1 8 G H8 2.000 . 4.000 3.487 3.487 3.487 . 0 0 "[ ]" 2
72 1 8 G H4' 1 8 G H8 3.000 3.000 7.000 4.491 4.491 4.491 . 0 0 "[ ]" 2
73 1 8 G H8 1 9 A H3' 3.000 3.000 7.000 6.413 6.413 6.413 . 0 0 "[ ]" 2
74 1 8 G H8 1 10 C H5 3.000 3.000 7.000 6.446 6.446 6.446 . 0 0 "[ ]" 2
75 1 8 G H8 1 10 C H6 3.000 3.000 7.000 6.606 6.606 6.606 . 0 0 "[ ]" 2
76 1 9 A H1' 1 9 A H2' 1.800 . 3.200 2.756 2.756 2.756 . 0 0 "[ ]" 2
77 1 8 G H1' 1 9 A H8 3.000 3.000 7.000 5.539 5.539 5.539 . 0 0 "[ ]" 2
78 1 8 G H2' 1 9 A H8 2.500 2.500 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 2
79 1 9 A H1' 1 9 A H8 2.500 2.500 5.000 3.819 3.819 3.819 . 0 0 "[ ]" 2
80 1 9 A H2' 1 9 A H8 2.500 2.500 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 2
81 1 9 A H3' 1 9 A H8 2.500 2.500 5.000 2.812 2.812 2.812 . 0 0 "[ ]" 2
82 1 9 A H4' 1 9 A H8 3.000 3.000 7.000 4.222 4.222 4.222 . 0 0 "[ ]" 2
83 1 9 A H8 1 10 C H5 3.000 3.000 7.000 5.253 5.253 5.253 . 0 0 "[ ]" 2
84 1 9 A H8 1 10 C H6 3.000 3.000 7.000 5.194 5.194 5.194 . 0 0 "[ ]" 2
85 1 9 A H2 1 10 C H1' 3.000 3.000 7.000 5.381 5.381 5.381 . 0 0 "[ ]" 2
86 1 10 C H1' 1 10 C H2' 1.800 . 3.200 2.879 2.879 2.879 . 0 0 "[ ]" 2
87 1 9 A H1' 1 10 C H6 2.500 2.500 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 2
88 1 9 A H2' 1 10 C H6 1.800 . 3.200 2.344 2.344 2.344 . 0 0 "[ ]" 2
89 1 9 A H3' 1 10 C H6 2.500 2.500 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 2
90 1 9 A H4' 1 10 C H6 3.000 3.000 7.000 5.805 5.805 5.805 . 0 0 "[ ]" 2
91 1 10 C H1' 1 10 C H6 2.500 2.500 5.000 3.480 3.480 3.480 . 0 0 "[ ]" 2
92 1 10 C H2' 1 10 C H6 2.000 . 4.000 3.910 3.910 3.910 . 0 0 "[ ]" 2
93 1 10 C H3' 1 10 C H6 2.000 . 4.000 3.652 3.652 3.652 . 0 0 "[ ]" 2
94 1 10 C H4' 1 10 C H6 3.000 3.000 7.000 4.247 4.247 4.247 . 0 0 "[ ]" 2
95 1 8 G H1' 1 10 C H6 3.000 3.000 7.000 4.795 4.795 4.795 . 0 0 "[ ]" 2
96 1 10 C H5 1 10 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 2
97 1 10 C H6 1 11 G H8 3.000 3.000 7.000 4.669 4.669 4.669 . 0 0 "[ ]" 2
98 1 8 G H1' 1 10 C H5 2.000 . 4.000 3.443 3.443 3.443 . 0 0 "[ ]" 2
99 1 8 G H2' 1 10 C H5 1.800 . 3.200 3.219 3.219 3.219 0.019 1 0 "[ ]" 2
100 1 11 G H1' 1 11 G H2' 1.800 . 3.200 2.821 2.821 2.821 . 0 0 "[ ]" 2
101 1 10 C H1' 1 11 G H8 2.500 2.500 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 2
102 1 10 C H2' 1 11 G H8 2.000 . 4.000 2.338 2.338 2.338 . 0 0 "[ ]" 2
103 1 10 C H3' 1 11 G H8 3.000 3.000 7.000 3.214 3.214 3.214 . 0 0 "[ ]" 2
104 1 10 C H4' 1 11 G H8 3.000 3.000 7.000 5.803 5.803 5.803 . 0 0 "[ ]" 2
105 1 11 G H1' 1 11 G H8 2.500 2.500 5.000 3.782 3.782 3.782 . 0 0 "[ ]" 2
106 1 11 G H2' 1 11 G H8 3.000 3.000 7.000 3.848 3.848 3.848 . 0 0 "[ ]" 2
107 1 11 G H3' 1 11 G H8 3.000 3.000 7.000 3.288 3.288 3.288 . 0 0 "[ ]" 2
108 1 11 G H4' 1 11 G H8 3.000 3.000 7.000 4.491 4.491 4.491 . 0 0 "[ ]" 2
109 1 12 U H1' 1 12 U H2' 1.800 . 3.200 2.745 2.745 2.745 . 0 0 "[ ]" 2
110 1 11 G H1' 1 12 U H6 3.000 3.000 7.000 6.918 6.918 6.918 . 0 0 "[ ]" 2
111 1 11 G H2' 1 12 U H6 2.500 2.500 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 2
112 1 12 U H1' 1 12 U H6 2.500 2.500 5.000 3.448 3.448 3.448 . 0 0 "[ ]" 2
113 1 12 U H2' 1 12 U H6 3.000 3.000 7.000 4.139 4.139 4.139 . 0 0 "[ ]" 2
114 1 12 U H3' 1 12 U H6 2.500 2.500 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 2
115 1 12 U H4' 1 12 U H6 2.500 2.500 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 2
116 1 12 U H5 1 12 U H6 1.800 . 3.200 2.432 2.432 2.432 . 0 0 "[ ]" 2
117 1 13 C H1' 1 13 C H2' 1.800 . 3.200 2.775 2.775 2.775 . 0 0 "[ ]" 2
118 1 12 U H1' 1 13 C H6 2.500 2.500 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 2
119 1 12 U H2' 1 13 C H6 1.800 . 3.200 2.307 2.307 2.307 . 0 0 "[ ]" 2
120 1 12 U H3' 1 13 C H6 2.500 2.500 5.000 3.079 3.079 3.079 . 0 0 "[ ]" 2
121 1 12 U H4' 1 13 C H6 3.000 3.000 7.000 5.600 5.600 5.600 . 0 0 "[ ]" 2
122 1 13 C H1' 1 13 C H6 2.500 2.500 5.000 3.630 3.630 3.630 . 0 0 "[ ]" 2
123 1 13 C H2' 1 13 C H6 3.000 3.000 7.000 3.669 3.669 3.669 . 0 0 "[ ]" 2
124 1 13 C H3' 1 13 C H6 2.000 . 4.000 2.568 2.568 2.568 . 0 0 "[ ]" 2
125 1 13 C H5 1 13 C H6 1.800 . 3.200 2.438 2.438 2.438 . 0 0 "[ ]" 2
126 1 13 C H6 1 14 C H6 3.000 3.000 7.000 4.803 4.803 4.803 . 0 0 "[ ]" 2
127 1 13 C H1' 1 13 C H5 3.000 3.000 7.000 5.372 5.372 5.372 . 0 0 "[ ]" 2
128 1 13 C H5 1 14 C H5 3.000 3.000 7.000 3.713 3.713 3.713 . 0 0 "[ ]" 2
129 1 14 C H1' 1 14 C H2' 1.800 . 3.200 2.792 2.792 2.792 . 0 0 "[ ]" 2
130 1 13 C H1' 1 14 C H6 2.500 2.500 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 2
131 1 13 C H2' 1 14 C H6 1.800 . 3.200 2.296 2.296 2.296 . 0 0 "[ ]" 2
132 1 13 C H3' 1 14 C H6 2.000 . 4.000 3.141 3.141 3.141 . 0 0 "[ ]" 2
133 1 14 C H1' 1 14 C H6 2.500 2.500 5.000 3.644 3.644 3.644 . 0 0 "[ ]" 2
134 1 14 C H2' 1 14 C H6 2.000 . 4.000 3.579 3.579 3.579 . 0 0 "[ ]" 2
135 1 14 C H3' 1 14 C H6 2.500 2.500 5.000 2.544 2.544 2.544 . 0 0 "[ ]" 2
136 1 14 C H5 1 14 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 2
137 1 14 C H6 1 15 C H6 3.000 3.000 7.000 4.856 4.856 4.856 . 0 0 "[ ]" 2
138 1 15 C H1' 1 15 C H2' 1.800 . 3.200 2.794 2.794 2.794 . 0 0 "[ ]" 2
139 1 14 C H1' 1 15 C H6 2.500 2.500 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 2
140 1 14 C H2' 1 15 C H6 1.800 . 3.200 2.299 2.299 2.299 . 0 0 "[ ]" 2
141 1 14 C H3' 1 15 C H6 2.500 2.500 5.000 3.404 3.404 3.404 . 0 0 "[ ]" 2
142 1 15 C H1' 1 15 C H6 2.500 2.500 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 2
143 1 15 C H2' 1 15 C H6 3.000 3.000 7.000 3.618 3.618 3.618 . 0 0 "[ ]" 2
144 1 15 C H3' 1 15 C H6 2.500 2.500 5.000 2.608 2.608 2.608 . 0 0 "[ ]" 2
145 1 15 C H5 1 15 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 2
146 1 14 C H1' 1 15 C H5 3.000 3.000 7.000 5.849 5.849 5.849 . 0 0 "[ ]" 2
147 1 15 C H5 1 16 A H8 3.000 3.000 7.000 5.681 5.681 5.681 . 0 0 "[ ]" 2
148 1 15 C H6 1 16 A H8 3.000 3.000 7.000 4.739 4.739 4.739 . 0 0 "[ ]" 2
149 1 16 A H1' 1 16 A H2' 1.800 . 3.200 2.767 2.767 2.767 . 0 0 "[ ]" 2
150 1 15 C H1' 1 16 A H8 2.500 2.500 5.000 5.068 5.068 5.068 0.068 1 0 "[ ]" 2
151 1 15 C H2' 1 16 A H8 1.800 . 3.200 2.290 2.290 2.290 . 0 0 "[ ]" 2
152 1 15 C H3' 1 16 A H8 2.500 2.500 5.000 3.063 3.063 3.063 . 0 0 "[ ]" 2
153 1 16 A H1' 1 16 A H8 2.500 2.500 5.000 3.809 3.809 3.809 . 0 0 "[ ]" 2
154 1 16 A H2' 1 16 A H8 2.500 2.500 5.000 3.861 3.861 3.861 . 0 0 "[ ]" 2
155 1 16 A H3' 1 16 A H8 2.500 2.500 5.000 2.814 2.814 2.814 . 0 0 "[ ]" 2
156 1 16 A H4' 1 16 A H8 3.000 3.000 7.000 4.308 4.308 4.308 . 0 0 "[ ]" 2
157 1 16 A H8 1 17 C H6 3.000 3.000 7.000 4.887 4.887 4.887 . 0 0 "[ ]" 2
158 1 16 A H8 1 17 C H5 3.000 3.000 7.000 4.037 4.037 4.037 . 0 0 "[ ]" 2
159 1 16 A H2 1 17 C H1' 2.500 2.500 5.000 3.863 3.863 3.863 . 0 0 "[ ]" 2
160 1 4 G H1' 1 16 A H2 2.500 2.500 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 2
161 1 16 A H1' 1 16 A H2 3.000 3.000 7.000 4.661 4.661 4.661 . 0 0 "[ ]" 2
162 1 4 G H8 1 16 A H2 3.000 3.000 7.000 5.703 5.703 5.703 . 0 0 "[ ]" 2
163 1 17 C H1' 1 17 C H2' 1.800 . 3.200 2.799 2.799 2.799 . 0 0 "[ ]" 2
164 1 16 A H1' 1 17 C H6 2.500 2.500 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 2
165 1 16 A H2' 1 17 C H6 1.800 . 3.200 2.317 2.317 2.317 . 0 0 "[ ]" 2
166 1 16 A H3' 1 17 C H6 1.800 . 3.200 3.178 3.178 3.178 . 0 0 "[ ]" 2
167 1 16 A H4' 1 17 C H6 3.000 3.000 7.000 5.610 5.610 5.610 . 0 0 "[ ]" 2
168 1 17 C H1' 1 17 C H6 2.500 2.500 5.000 3.625 3.625 3.625 . 0 0 "[ ]" 2
169 1 17 C H2' 1 17 C H6 2.500 2.500 5.000 3.654 3.654 3.654 . 0 0 "[ ]" 2
170 1 17 C H3' 1 17 C H6 2.000 . 4.000 2.682 2.682 2.682 . 0 0 "[ ]" 2
171 1 17 C H5 1 17 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 2
172 1 17 C H6 1 18 C H6 3.000 3.000 7.000 4.494 4.494 4.494 . 0 0 "[ ]" 2
173 1 17 C H6 1 18 C H5 3.000 3.000 7.000 3.527 3.527 3.527 . 0 0 "[ ]" 2
174 1 18 C H1' 1 18 C H2' 1.800 . 3.200 2.816 2.816 2.816 . 0 0 "[ ]" 2
175 1 17 C H1' 1 18 C H6 2.500 2.500 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 2
176 1 17 C H2' 1 18 C H6 1.800 . 3.200 2.319 2.319 2.319 . 0 0 "[ ]" 2
177 1 17 C H3' 1 18 C H6 2.000 . 4.000 2.930 2.930 2.930 . 0 0 "[ ]" 2
178 1 18 C H1' 1 18 C H6 2.500 2.500 5.000 3.609 3.609 3.609 . 0 0 "[ ]" 2
179 1 18 C H2' 1 18 C H6 2.000 . 4.000 3.686 3.686 3.686 . 0 0 "[ ]" 2
180 1 18 C H5 1 18 C H6 1.800 . 3.200 2.441 2.441 2.441 . 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 228
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 1.610
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 9 A 0.521 0.166 1 0 "[ ]"
1 10 C 0.065 0.035 1 0 "[ ]"
1 11 G 0.214 0.112 1 0 "[ ]"
1 12 U 0.144 0.126 1 0 "[ ]"
1 13 C 0.127 0.118 1 0 "[ ]"
2 1 G 0.131 0.131 1 0 "[ ]"
2 2 G 0.027 0.027 1 0 "[ ]"
2 3 U 0.027 0.027 1 0 "[ ]"
2 4 G 0.000 0.000 . 0 "[ ]"
2 5 G 0.009 0.009 1 0 "[ ]"
2 6 G 0.023 0.014 1 0 "[ ]"
2 7 A 0.039 0.025 1 0 "[ ]"
2 8 G 0.025 0.025 1 0 "[ ]"
2 9 A 0.397 0.126 1 0 "[ ]"
2 10 C 0.115 0.046 1 0 "[ ]"
2 11 G 0.265 0.166 1 0 "[ ]"
2 12 U 0.250 0.135 1 0 "[ ]"
2 13 C 0.265 0.133 1 0 "[ ]"
2 14 C 0.122 0.063 1 0 "[ ]"
2 15 C 0.101 0.059 1 0 "[ ]"
2 16 A 0.096 0.042 1 0 "[ ]"
2 17 C 0.090 0.037 1 0 "[ ]"
2 18 C 0.037 0.037 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 2 1 G H1' 2 1 G H2' 1.800 . 3.200 2.707 2.707 2.707 . 0 0 "[ ]" 3
2 2 1 G H2' 2 1 G H8 2.000 . 4.000 4.131 4.131 4.131 0.131 1 0 "[ ]" 3
3 2 1 G H3' 2 1 G H8 2.500 2.500 5.000 3.112 3.112 3.112 . 0 0 "[ ]" 3
4 2 1 G H1' 2 1 G H8 2.500 2.500 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 3
5 2 1 G H8 2 2 G H8 3.000 3.000 7.000 5.072 5.072 5.072 . 0 0 "[ ]" 3
6 2 1 G H1' 2 2 G H1' 3.000 3.000 7.000 5.499 5.499 5.499 . 0 0 "[ ]" 3
7 2 2 G H1' 2 2 G H2' 1.800 . 3.200 2.758 2.758 2.758 . 0 0 "[ ]" 3
8 2 1 G H1' 2 2 G H8 2.500 2.500 5.000 4.938 4.938 4.938 . 0 0 "[ ]" 3
9 2 2 G H1' 2 2 G H8 2.500 2.500 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 3
10 2 1 G H2' 2 2 G H8 1.800 . 3.200 2.331 2.331 2.331 . 0 0 "[ ]" 3
11 2 1 G H3' 2 2 G H8 2.000 . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 3
12 2 2 G H2' 2 2 G H8 2.500 2.500 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 3
13 2 2 G H8 2 3 U H6 3.000 3.000 7.000 5.170 5.170 5.170 . 0 0 "[ ]" 3
14 2 2 G H8 2 3 U H5 3.000 3.000 7.000 4.097 4.097 4.097 . 0 0 "[ ]" 3
15 2 2 G H1' 2 3 U H1' 3.000 3.000 7.000 5.591 5.591 5.591 . 0 0 "[ ]" 3
16 2 3 U H1' 2 3 U H2' 1.800 . 3.200 2.779 2.779 2.779 . 0 0 "[ ]" 3
17 2 2 G H1' 2 3 U H6 2.500 2.500 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 3
18 2 2 G H2' 2 3 U H6 1.800 . 3.200 2.315 2.315 2.315 . 0 0 "[ ]" 3
19 2 3 U H1' 2 3 U H6 2.500 2.500 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 3
20 2 3 U H2' 2 3 U H6 2.000 . 4.000 3.697 3.697 3.697 . 0 0 "[ ]" 3
21 2 3 U H3' 2 3 U H6 2.500 2.500 5.000 2.550 2.550 2.550 . 0 0 "[ ]" 3
22 2 3 U H5 2 3 U H6 1.800 . 3.200 2.430 2.430 2.430 . 0 0 "[ ]" 3
23 2 3 U H6 2 4 G H8 3.000 3.000 7.000 4.215 4.215 4.215 . 0 0 "[ ]" 3
24 2 2 G H1' 2 3 U H5 3.000 3.000 7.000 5.623 5.623 5.623 . 0 0 "[ ]" 3
25 2 3 U H1' 2 3 U H5 3.000 3.000 7.000 5.381 5.381 5.381 . 0 0 "[ ]" 3
26 2 4 G H1' 2 4 G H2' 1.800 . 3.200 2.782 2.782 2.782 . 0 0 "[ ]" 3
27 2 3 U H1' 2 4 G H8 2.500 2.500 5.000 4.907 4.907 4.907 . 0 0 "[ ]" 3
28 2 3 U H2' 2 4 G H8 1.800 . 3.200 2.325 2.325 2.325 . 0 0 "[ ]" 3
29 2 3 U H3' 2 4 G H8 2.500 2.500 5.000 2.781 2.781 2.781 . 0 0 "[ ]" 3
30 2 4 G H1' 2 4 G H8 2.500 2.500 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 3
31 2 4 G H2' 2 4 G H8 2.500 2.500 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 3
32 2 4 G H3' 2 4 G H8 2.500 2.500 5.000 2.896 2.896 2.896 . 0 0 "[ ]" 3
33 2 4 G H8 2 5 G H8 3.000 3.000 7.000 4.706 4.706 4.706 . 0 0 "[ ]" 3
34 2 5 G H1' 2 5 G H2' 1.800 . 3.200 2.792 2.792 2.792 . 0 0 "[ ]" 3
35 2 4 G H1' 2 5 G H8 2.500 2.500 5.000 4.982 4.982 4.982 . 0 0 "[ ]" 3
36 2 4 G H2' 2 5 G H8 1.800 . 3.200 2.327 2.327 2.327 . 0 0 "[ ]" 3
37 2 4 G H3' 2 5 G H8 2.500 2.500 5.000 3.172 3.172 3.172 . 0 0 "[ ]" 3
38 2 5 G H1' 2 5 G H8 2.500 2.500 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 3
39 2 5 G H2' 2 5 G H8 2.500 2.500 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 3
40 2 5 G H3' 2 5 G H8 2.000 . 4.000 2.914 2.914 2.914 . 0 0 "[ ]" 3
41 2 5 G H4' 2 5 G H8 2.500 2.500 5.000 4.412 4.412 4.412 . 0 0 "[ ]" 3
42 2 5 G H8 2 6 G H8 3.000 3.000 7.000 4.712 4.712 4.712 . 0 0 "[ ]" 3
43 2 6 G H1' 2 6 G H2' 1.800 . 3.200 2.787 2.787 2.787 . 0 0 "[ ]" 3
44 2 5 G H1' 2 6 G H8 2.500 2.500 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 3
45 2 5 G H2' 2 6 G H8 1.800 . 3.200 2.321 2.321 2.321 . 0 0 "[ ]" 3
46 2 5 G H3' 2 6 G H8 2.000 . 4.000 3.178 3.178 3.178 . 0 0 "[ ]" 3
47 2 6 G H1' 2 6 G H8 2.500 2.500 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 3
48 2 6 G H2' 2 6 G H8 2.000 . 4.000 3.761 3.761 3.761 . 0 0 "[ ]" 3
49 2 6 G H3' 2 6 G H8 2.000 . 4.000 2.747 2.747 2.747 . 0 0 "[ ]" 3
50 2 6 G H4' 2 6 G H8 2.500 2.500 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 3
51 2 6 G H8 2 7 A H8 2.500 2.500 5.000 4.670 4.670 4.670 . 0 0 "[ ]" 3
52 2 6 G H1' 2 7 A H1' 3.000 3.000 7.000 5.349 5.349 5.349 . 0 0 "[ ]" 3
53 2 7 A H1' 2 7 A H2' 1.800 . 3.200 2.822 2.822 2.822 . 0 0 "[ ]" 3
54 2 6 G H1' 2 7 A H8 2.500 2.500 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 3
55 2 6 G H2' 2 7 A H8 1.800 . 3.200 2.345 2.345 2.345 . 0 0 "[ ]" 3
56 2 6 G H3' 2 7 A H8 2.500 2.500 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 3
57 2 7 A H1' 2 7 A H8 2.500 2.500 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 3
58 2 7 A H2' 2 7 A H8 2.000 . 4.000 3.771 3.771 3.771 . 0 0 "[ ]" 3
59 2 7 A H3' 2 7 A H8 2.000 . 4.000 3.074 3.074 3.074 . 0 0 "[ ]" 3
60 2 7 A H8 2 8 G H8 3.000 3.000 7.000 4.923 4.923 4.923 . 0 0 "[ ]" 3
61 2 7 A H2 2 13 C H1' 2.500 2.500 5.000 3.485 3.485 3.485 . 0 0 "[ ]" 3
62 2 7 A H2 2 8 G H1' 2.500 2.500 5.000 4.794 4.794 4.794 . 0 0 "[ ]" 3
63 2 7 A H1' 2 7 A H2 3.000 3.000 7.000 4.627 4.627 4.627 . 0 0 "[ ]" 3
64 2 7 A H2 2 8 G H8 3.000 3.000 7.000 5.621 5.621 5.621 . 0 0 "[ ]" 3
65 2 8 G H1' 2 8 G H2' 1.800 . 3.200 2.784 2.784 2.784 . 0 0 "[ ]" 3
66 2 7 A H1' 2 8 G H8 2.500 2.500 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 3
67 2 7 A H2' 2 8 G H8 1.800 . 3.200 2.336 2.336 2.336 . 0 0 "[ ]" 3
68 2 7 A H3' 2 8 G H8 2.500 2.500 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 3
69 2 8 G H1' 2 8 G H8 2.500 2.500 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 3
70 2 8 G H2' 2 8 G H8 2.500 2.500 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 3
71 2 8 G H3' 2 8 G H8 2.000 . 4.000 3.284 3.284 3.284 . 0 0 "[ ]" 3
72 2 8 G H4' 2 8 G H8 3.000 3.000 7.000 4.321 4.321 4.321 . 0 0 "[ ]" 3
73 2 8 G H8 2 9 A H3' 3.000 3.000 7.000 6.228 6.228 6.228 . 0 0 "[ ]" 3
74 2 8 G H8 2 10 C H5 3.000 3.000 7.000 6.078 6.078 6.078 . 0 0 "[ ]" 3
75 2 8 G H8 2 10 C H6 3.000 3.000 7.000 6.228 6.228 6.228 . 0 0 "[ ]" 3
76 2 9 A H1' 2 9 A H2' 1.800 . 3.200 2.763 2.763 2.763 . 0 0 "[ ]" 3
77 2 8 G H1' 2 9 A H8 3.000 3.000 7.000 5.293 5.293 5.293 . 0 0 "[ ]" 3
78 2 8 G H2' 2 9 A H8 2.500 2.500 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 3
79 2 9 A H1' 2 9 A H8 2.500 2.500 5.000 3.864 3.864 3.864 . 0 0 "[ ]" 3
80 2 9 A H2' 2 9 A H8 2.500 2.500 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 3
81 2 9 A H3' 2 9 A H8 2.500 2.500 5.000 2.585 2.585 2.585 . 0 0 "[ ]" 3
82 2 9 A H4' 2 9 A H8 3.000 3.000 7.000 4.209 4.209 4.209 . 0 0 "[ ]" 3
83 2 9 A H8 2 10 C H5 3.000 3.000 7.000 5.343 5.343 5.343 . 0 0 "[ ]" 3
84 2 9 A H8 2 10 C H6 3.000 3.000 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 3
85 2 9 A H2 2 10 C H1' 3.000 3.000 7.000 5.485 5.485 5.485 . 0 0 "[ ]" 3
86 2 10 C H1' 2 10 C H2' 1.800 . 3.200 2.852 2.852 2.852 . 0 0 "[ ]" 3
87 2 9 A H1' 2 10 C H6 2.500 2.500 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 3
88 2 9 A H2' 2 10 C H6 1.800 . 3.200 2.351 2.351 2.351 . 0 0 "[ ]" 3
89 2 9 A H3' 2 10 C H6 2.500 2.500 5.000 3.684 3.684 3.684 . 0 0 "[ ]" 3
90 2 9 A H4' 2 10 C H6 3.000 3.000 7.000 5.919 5.919 5.919 . 0 0 "[ ]" 3
91 2 10 C H1' 2 10 C H6 2.500 2.500 5.000 3.502 3.502 3.502 . 0 0 "[ ]" 3
92 2 10 C H2' 2 10 C H6 2.000 . 4.000 3.914 3.914 3.914 . 0 0 "[ ]" 3
93 2 10 C H3' 2 10 C H6 2.000 . 4.000 3.474 3.474 3.474 . 0 0 "[ ]" 3
94 2 10 C H4' 2 10 C H6 3.000 3.000 7.000 4.204 4.204 4.204 . 0 0 "[ ]" 3
95 2 8 G H1' 2 10 C H6 3.000 3.000 7.000 4.303 4.303 4.303 . 0 0 "[ ]" 3
96 2 10 C H5 2 10 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 3
97 2 10 C H6 2 11 G H8 3.000 3.000 7.000 4.542 4.542 4.542 . 0 0 "[ ]" 3
98 2 8 G H1' 2 10 C H5 2.000 . 4.000 2.920 2.920 2.920 . 0 0 "[ ]" 3
99 2 8 G H2' 2 10 C H5 1.800 . 3.200 3.176 3.176 3.176 . 0 0 "[ ]" 3
100 2 11 G H1' 2 11 G H2' 1.800 . 3.200 2.825 2.825 2.825 . 0 0 "[ ]" 3
101 2 10 C H1' 2 11 G H8 2.500 2.500 5.000 4.964 4.964 4.964 . 0 0 "[ ]" 3
102 2 10 C H2' 2 11 G H8 2.000 . 4.000 2.381 2.381 2.381 . 0 0 "[ ]" 3
103 2 10 C H3' 2 11 G H8 3.000 3.000 7.000 3.135 3.135 3.135 . 0 0 "[ ]" 3
104 2 10 C H4' 2 11 G H8 3.000 3.000 7.000 5.771 5.771 5.771 . 0 0 "[ ]" 3
105 2 11 G H1' 2 11 G H8 2.500 2.500 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 3
106 2 11 G H2' 2 11 G H8 3.000 3.000 7.000 3.936 3.936 3.936 . 0 0 "[ ]" 3
107 2 11 G H3' 2 11 G H8 3.000 3.000 7.000 3.419 3.419 3.419 . 0 0 "[ ]" 3
108 2 11 G H4' 2 11 G H8 3.000 3.000 7.000 4.493 4.493 4.493 . 0 0 "[ ]" 3
109 2 12 U H1' 2 12 U H2' 1.800 . 3.200 2.741 2.741 2.741 . 0 0 "[ ]" 3
110 2 11 G H1' 2 12 U H6 3.000 3.000 7.000 6.915 6.915 6.915 . 0 0 "[ ]" 3
111 2 11 G H2' 2 12 U H6 2.500 2.500 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 3
112 2 12 U H1' 2 12 U H6 2.500 2.500 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 3
113 2 12 U H2' 2 12 U H6 3.000 3.000 7.000 4.068 4.068 4.068 . 0 0 "[ ]" 3
114 2 12 U H3' 2 12 U H6 2.500 2.500 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 3
115 2 12 U H4' 2 12 U H6 2.500 2.500 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 3
116 2 12 U H5 2 12 U H6 1.800 . 3.200 2.432 2.432 2.432 . 0 0 "[ ]" 3
117 2 13 C H1' 2 13 C H2' 1.800 . 3.200 2.782 2.782 2.782 . 0 0 "[ ]" 3
118 2 12 U H1' 2 13 C H6 2.500 2.500 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 3
119 2 12 U H2' 2 13 C H6 1.800 . 3.200 2.318 2.318 2.318 . 0 0 "[ ]" 3
120 2 12 U H3' 2 13 C H6 2.500 2.500 5.000 3.159 3.159 3.159 . 0 0 "[ ]" 3
121 2 12 U H4' 2 13 C H6 3.000 3.000 7.000 5.651 5.651 5.651 . 0 0 "[ ]" 3
122 2 13 C H1' 2 13 C H6 2.500 2.500 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 3
123 2 13 C H2' 2 13 C H6 3.000 3.000 7.000 3.474 3.474 3.474 . 0 0 "[ ]" 3
124 2 13 C H3' 2 13 C H6 2.000 . 4.000 2.355 2.355 2.355 . 0 0 "[ ]" 3
125 2 13 C H5 2 13 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 3
126 2 13 C H6 2 14 C H6 3.000 3.000 7.000 4.542 4.542 4.542 . 0 0 "[ ]" 3
127 2 13 C H1' 2 13 C H5 3.000 3.000 7.000 5.406 5.406 5.406 . 0 0 "[ ]" 3
128 2 13 C H5 2 14 C H5 3.000 3.000 7.000 3.488 3.488 3.488 . 0 0 "[ ]" 3
129 2 14 C H1' 2 14 C H2' 1.800 . 3.200 2.787 2.787 2.787 . 0 0 "[ ]" 3
130 2 13 C H1' 2 14 C H6 2.500 2.500 5.000 5.063 5.063 5.063 0.063 1 0 "[ ]" 3
131 2 13 C H2' 2 14 C H6 1.800 . 3.200 2.304 2.304 2.304 . 0 0 "[ ]" 3
132 2 13 C H3' 2 14 C H6 2.000 . 4.000 3.133 3.133 3.133 . 0 0 "[ ]" 3
133 2 14 C H1' 2 14 C H6 2.500 2.500 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 3
134 2 14 C H2' 2 14 C H6 2.000 . 4.000 3.578 3.578 3.578 . 0 0 "[ ]" 3
135 2 14 C H3' 2 14 C H6 2.500 2.500 5.000 2.522 2.522 2.522 . 0 0 "[ ]" 3
136 2 14 C H5 2 14 C H6 1.800 . 3.200 2.439 2.439 2.439 . 0 0 "[ ]" 3
137 2 14 C H6 2 15 C H6 3.000 3.000 7.000 4.822 4.822 4.822 . 0 0 "[ ]" 3
138 2 15 C H1' 2 15 C H2' 1.800 . 3.200 2.783 2.783 2.783 . 0 0 "[ ]" 3
139 2 14 C H1' 2 15 C H6 2.500 2.500 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 3
140 2 14 C H2' 2 15 C H6 1.800 . 3.200 2.307 2.307 2.307 . 0 0 "[ ]" 3
141 2 14 C H3' 2 15 C H6 2.500 2.500 5.000 3.333 3.333 3.333 . 0 0 "[ ]" 3
142 2 15 C H1' 2 15 C H6 2.500 2.500 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 3
143 2 15 C H2' 2 15 C H6 3.000 3.000 7.000 3.717 3.717 3.717 . 0 0 "[ ]" 3
144 2 15 C H3' 2 15 C H6 2.500 2.500 5.000 2.658 2.658 2.658 . 0 0 "[ ]" 3
145 2 15 C H5 2 15 C H6 1.800 . 3.200 2.439 2.439 2.439 . 0 0 "[ ]" 3
146 2 14 C H1' 2 15 C H5 3.000 3.000 7.000 5.797 5.797 5.797 . 0 0 "[ ]" 3
147 2 15 C H5 2 16 A H8 3.000 3.000 7.000 5.586 5.586 5.586 . 0 0 "[ ]" 3
148 2 15 C H6 2 16 A H8 3.000 3.000 7.000 4.672 4.672 4.672 . 0 0 "[ ]" 3
149 2 16 A H1' 2 16 A H2' 1.800 . 3.200 2.756 2.756 2.756 . 0 0 "[ ]" 3
150 2 15 C H1' 2 16 A H8 2.500 2.500 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 3
151 2 15 C H2' 2 16 A H8 1.800 . 3.200 2.305 2.305 2.305 . 0 0 "[ ]" 3
152 2 15 C H3' 2 16 A H8 2.500 2.500 5.000 2.836 2.836 2.836 . 0 0 "[ ]" 3
153 2 16 A H1' 2 16 A H8 2.500 2.500 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 3
154 2 16 A H2' 2 16 A H8 2.500 2.500 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 3
155 2 16 A H3' 2 16 A H8 2.500 2.500 5.000 2.766 2.766 2.766 . 0 0 "[ ]" 3
156 2 16 A H4' 2 16 A H8 3.000 3.000 7.000 4.286 4.286 4.286 . 0 0 "[ ]" 3
157 2 16 A H8 2 17 C H6 3.000 3.000 7.000 4.975 4.975 4.975 . 0 0 "[ ]" 3
158 2 16 A H8 2 17 C H5 3.000 3.000 7.000 3.885 3.885 3.885 . 0 0 "[ ]" 3
159 2 16 A H2 2 17 C H1' 2.500 2.500 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 3
160 2 4 G H1' 2 16 A H2 2.500 2.500 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 3
161 2 16 A H1' 2 16 A H2 3.000 3.000 7.000 4.646 4.646 4.646 . 0 0 "[ ]" 3
162 2 4 G H8 2 16 A H2 3.000 3.000 7.000 5.465 5.465 5.465 . 0 0 "[ ]" 3
163 2 17 C H1' 2 17 C H2' 1.800 . 3.200 2.788 2.788 2.788 . 0 0 "[ ]" 3
164 2 16 A H1' 2 17 C H6 2.500 2.500 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 3
165 2 16 A H2' 2 17 C H6 1.800 . 3.200 2.315 2.315 2.315 . 0 0 "[ ]" 3
166 2 16 A H3' 2 17 C H6 1.800 . 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 3
167 2 16 A H4' 2 17 C H6 3.000 3.000 7.000 5.591 5.591 5.591 . 0 0 "[ ]" 3
168 2 17 C H1' 2 17 C H6 2.500 2.500 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 3
169 2 17 C H2' 2 17 C H6 2.500 2.500 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 3
170 2 17 C H3' 2 17 C H6 2.000 . 4.000 2.591 2.591 2.591 . 0 0 "[ ]" 3
171 2 17 C H5 2 17 C H6 1.800 . 3.200 2.441 2.441 2.441 . 0 0 "[ ]" 3
172 2 17 C H6 2 18 C H6 3.000 3.000 7.000 4.599 4.599 4.599 . 0 0 "[ ]" 3
173 2 17 C H6 2 18 C H5 3.000 3.000 7.000 3.724 3.724 3.724 . 0 0 "[ ]" 3
174 2 18 C H1' 2 18 C H2' 1.800 . 3.200 2.817 2.817 2.817 . 0 0 "[ ]" 3
175 2 17 C H1' 2 18 C H6 2.500 2.500 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 3
176 2 17 C H2' 2 18 C H6 1.800 . 3.200 2.321 2.321 2.321 . 0 0 "[ ]" 3
177 2 17 C H3' 2 18 C H6 2.000 . 4.000 3.113 3.113 3.113 . 0 0 "[ ]" 3
178 2 18 C H1' 2 18 C H6 2.500 2.500 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 3
179 2 18 C H2' 2 18 C H6 2.000 . 4.000 3.634 3.634 3.634 . 0 0 "[ ]" 3
180 2 18 C H5 2 18 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 3
181 1 10 C H41 2 11 G O6 1.700 . 1.800 1.811 1.811 1.811 0.011 1 0 "[ ]" 3
182 1 10 C N3 2 11 G H21 3.000 2.900 3.100 3.100 3.100 3.100 0.000 1 0 "[ ]" 3
183 1 10 C O2 2 11 G H21 2.000 . 2.100 2.135 2.135 2.135 0.035 1 0 "[ ]" 3
184 1 10 C N3 2 11 G H1 1.900 . 2.000 1.815 1.815 1.815 . 0 0 "[ ]" 3
185 1 10 C N3 2 11 G N1 2.900 2.800 3.000 2.781 2.781 2.781 0.019 1 0 "[ ]" 3
186 1 11 G O6 2 10 C H41 1.700 . 1.800 1.820 1.820 1.820 0.020 1 0 "[ ]" 3
187 1 11 G H21 2 10 C N3 3.000 2.900 3.100 3.055 3.055 3.055 . 0 0 "[ ]" 3
188 1 11 G H21 2 10 C O2 2.000 . 2.100 2.146 2.146 2.146 0.046 1 0 "[ ]" 3
189 1 11 G H1 2 10 C N3 1.900 . 2.000 1.790 1.790 1.790 0.010 1 0 "[ ]" 3
190 1 11 G N1 2 10 C N3 2.900 2.800 3.000 2.774 2.774 2.774 0.026 1 0 "[ ]" 3
191 1 10 C H41 2 11 G H1 1.800 . 5.000 2.640 2.640 2.640 . 0 0 "[ ]" 3
192 1 10 C H42 2 11 G H1 1.800 . 5.000 4.115 4.115 4.115 . 0 0 "[ ]" 3
193 1 11 G H1 2 10 C H41 1.800 . 5.000 2.577 2.577 2.577 . 0 0 "[ ]" 3
194 1 11 G H1 2 10 C H42 1.800 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 3
195 1 9 A H2 2 12 U H2' 2.500 2.500 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 3
196 1 9 A H2 2 12 U H1' 3.000 3.000 7.000 5.531 5.531 5.531 . 0 0 "[ ]" 3
197 1 9 A H2 2 13 C H1' 3.000 3.000 7.000 3.894 3.894 3.894 . 0 0 "[ ]" 3
198 1 9 A H2 2 13 C H3' 3.000 3.000 7.000 5.309 5.309 5.309 . 0 0 "[ ]" 3
199 1 9 A H2 2 13 C H4' 2.000 . 4.000 2.302 2.302 2.302 . 0 0 "[ ]" 3
200 1 9 A H2 2 13 C H5' 2.000 . 4.000 3.840 3.840 3.840 . 0 0 "[ ]" 3
201 1 9 A H2 2 13 C H5'' 2.000 . 4.000 4.133 4.133 4.133 0.133 1 0 "[ ]" 3
202 1 9 A H2 2 11 G H1 1.800 . 5.000 3.233 3.233 3.233 . 0 0 "[ ]" 3
203 1 9 A H2 2 11 G H8 3.000 3.000 7.000 7.166 7.166 7.166 0.166 1 0 "[ ]" 3
204 1 12 U H2' 2 9 A H2 2.500 2.500 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 3
205 1 12 U H1' 2 9 A H2 3.000 3.000 7.000 5.656 5.656 5.656 . 0 0 "[ ]" 3
206 1 13 C H1' 2 9 A H2 3.000 3.000 7.000 4.025 4.025 4.025 . 0 0 "[ ]" 3
207 1 13 C H3' 2 9 A H2 3.000 3.000 7.000 5.336 5.336 5.336 . 0 0 "[ ]" 3
208 1 13 C H4' 2 9 A H2 2.000 . 4.000 2.307 2.307 2.307 . 0 0 "[ ]" 3
209 1 13 C H5' 2 9 A H2 2.000 . 4.000 3.785 3.785 3.785 . 0 0 "[ ]" 3
210 1 13 C H5'' 2 9 A H2 2.000 . 4.000 4.118 4.118 4.118 0.118 1 0 "[ ]" 3
211 1 11 G H1 2 9 A H2 1.800 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 3
212 1 11 G H8 2 9 A H2 3.000 3.000 7.000 7.112 7.112 7.112 0.112 1 0 "[ ]" 3
213 1 9 A H8 2 13 C H4' 10.200 7.200 60.200 7.163 7.163 7.163 0.037 1 0 "[ ]" 3
214 1 9 A H8 2 13 C H5' 10.200 7.200 60.200 9.614 9.614 9.614 . 0 0 "[ ]" 3
215 1 9 A H8 2 13 C H5'' 10.200 7.200 60.200 8.960 8.960 8.960 . 0 0 "[ ]" 3
216 1 13 C H4' 2 9 A H8 10.200 7.200 60.200 7.192 7.192 7.192 0.008 1 0 "[ ]" 3
217 1 13 C H5' 2 9 A H8 10.200 7.200 60.200 9.584 9.584 9.584 . 0 0 "[ ]" 3
218 1 13 C H5'' 2 9 A H8 10.200 7.200 60.200 8.952 8.952 8.952 . 0 0 "[ ]" 3
219 1 9 A H2 2 12 U H4' 10.200 7.200 60.200 7.065 7.065 7.065 0.135 1 0 "[ ]" 3
220 1 12 U H4' 2 9 A H2 10.200 7.200 60.200 7.074 7.074 7.074 0.126 1 0 "[ ]" 3
221 1 1 G H8 1 10 C H5' 10.200 7.200 60.200 24.606 24.606 24.606 . 0 0 "[ ]" 3
222 2 1 G H8 2 10 C H5' 10.200 7.200 60.200 21.113 21.113 21.113 . 0 0 "[ ]" 3
223 1 1 G H8 1 11 G H4' 10.200 7.200 60.200 19.726 19.726 19.726 . 0 0 "[ ]" 3
224 2 1 G H8 2 11 G H4' 10.200 7.200 60.200 17.408 17.408 17.408 . 0 0 "[ ]" 3
225 1 1 G H8 1 12 U H5 10.200 7.200 60.200 16.085 16.085 16.085 . 0 0 "[ ]" 3
226 2 1 G H8 2 12 U H5 10.200 7.200 60.200 13.884 13.884 13.884 . 0 0 "[ ]" 3
227 1 1 G H8 1 12 U H5' 10.200 7.200 60.200 14.104 14.104 14.104 . 0 0 "[ ]" 3
228 2 1 G H8 2 12 U H5' 10.200 7.200 60.200 11.576 11.576 11.576 . 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 33
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 0.622
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0189
_Distance_constraint_stats_list.Viol_average_violations_only 0.0346
_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 0.067 0.040 1 0 "[ ]"
1 2 G 0.113 0.075 1 0 "[ ]"
1 3 U 0.078 0.055 1 0 "[ ]"
1 4 G 0.103 0.082 1 0 "[ ]"
1 5 G 0.097 0.061 1 0 "[ ]"
1 6 G 0.089 0.035 1 0 "[ ]"
1 7 A 0.075 0.034 1 0 "[ ]"
1 12 U 0.075 0.034 1 0 "[ ]"
1 13 C 0.089 0.035 1 0 "[ ]"
1 14 C 0.097 0.061 1 0 "[ ]"
1 15 C 0.103 0.082 1 0 "[ ]"
1 16 A 0.078 0.055 1 0 "[ ]"
1 17 C 0.113 0.075 1 0 "[ ]"
1 18 C 0.067 0.040 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 G O6 1 18 C H41 1.700 . 1.800 1.699 1.699 1.699 . 0 0 "[ ]" 4
2 1 1 G H21 1 18 C N3 3.000 2.900 3.100 2.860 2.860 2.860 0.040 1 0 "[ ]" 4
3 1 1 G H21 1 18 C O2 2.000 . 2.100 2.127 2.127 2.127 0.027 1 0 "[ ]" 4
4 1 1 G H1 1 18 C N3 1.900 . 2.000 1.943 1.943 1.943 . 0 0 "[ ]" 4
5 1 1 G N1 1 18 C N3 2.900 2.800 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 4
6 1 2 G O6 1 17 C H41 1.700 . 1.800 1.810 1.810 1.810 0.010 1 0 "[ ]" 4
7 1 2 G H21 1 17 C N3 3.000 2.900 3.100 2.872 2.872 2.872 0.028 1 0 "[ ]" 4
8 1 2 G H21 1 17 C O2 2.000 . 2.100 2.175 2.175 2.175 0.075 1 0 "[ ]" 4
9 1 2 G H1 1 17 C N3 1.900 . 2.000 1.944 1.944 1.944 . 0 0 "[ ]" 4
10 1 2 G N1 1 17 C N3 2.900 2.800 3.000 2.918 2.918 2.918 . 0 0 "[ ]" 4
11 1 3 U O2 1 16 A H2 3.200 3.100 3.300 3.355 3.355 3.355 0.055 1 0 "[ ]" 4
12 1 3 U H3 1 16 A N1 1.900 . 2.000 1.929 1.929 1.929 . 0 0 "[ ]" 4
13 1 3 U O4 1 16 A H61 1.800 . 1.900 1.923 1.923 1.923 0.023 1 0 "[ ]" 4
14 1 3 U N3 1 16 A N1 2.900 2.800 3.000 2.937 2.937 2.937 . 0 0 "[ ]" 4
15 1 4 G O6 1 15 C H41 1.700 . 1.800 1.771 1.771 1.771 . 0 0 "[ ]" 4
16 1 4 G H21 1 15 C N3 3.000 2.900 3.100 2.878 2.878 2.878 0.022 1 0 "[ ]" 4
17 1 4 G H21 1 15 C O2 2.000 . 2.100 2.182 2.182 2.182 0.082 1 0 "[ ]" 4
18 1 4 G H1 1 15 C N3 1.900 . 2.000 1.976 1.976 1.976 . 0 0 "[ ]" 4
19 1 4 G N1 1 15 C N3 2.900 2.800 3.000 2.985 2.985 2.985 . 0 0 "[ ]" 4
20 1 5 G O6 1 14 C H41 1.700 . 1.800 1.803 1.803 1.803 0.003 1 0 "[ ]" 4
21 1 5 G H21 1 14 C N3 3.000 2.900 3.100 2.867 2.867 2.867 0.033 1 0 "[ ]" 4
22 1 5 G H21 1 14 C O2 2.000 . 2.100 2.161 2.161 2.161 0.061 1 0 "[ ]" 4
23 1 5 G H1 1 14 C N3 1.900 . 2.000 1.968 1.968 1.968 . 0 0 "[ ]" 4
24 1 5 G N1 1 14 C N3 2.900 2.800 3.000 2.977 2.977 2.977 . 0 0 "[ ]" 4
25 1 6 G O6 1 13 C H41 1.700 . 1.800 1.820 1.820 1.820 0.020 1 0 "[ ]" 4
26 1 6 G H21 1 13 C N3 3.000 2.900 3.100 2.865 2.865 2.865 0.035 1 0 "[ ]" 4
27 1 6 G H21 1 13 C O2 2.000 . 2.100 2.134 2.134 2.134 0.034 1 0 "[ ]" 4
28 1 6 G H1 1 13 C N3 1.900 . 2.000 1.862 1.862 1.862 . 0 0 "[ ]" 4
29 1 6 G N1 1 13 C N3 2.900 2.800 3.000 2.861 2.861 2.861 . 0 0 "[ ]" 4
30 1 7 A H2 1 12 U O2 3.200 3.100 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 4
31 1 7 A N1 1 12 U H3 1.900 . 2.000 2.026 2.026 2.026 0.026 1 0 "[ ]" 4
32 1 7 A H61 1 12 U O4 1.800 . 1.900 1.882 1.882 1.882 . 0 0 "[ ]" 4
33 1 7 A N1 1 12 U N3 2.900 2.800 3.000 3.015 3.015 3.015 0.015 1 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 0.397
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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
2 1 G 0.011 0.011 1 0 "[ ]"
2 2 G 0.065 0.038 1 0 "[ ]"
2 3 U 0.055 0.043 1 0 "[ ]"
2 4 G 0.074 0.048 1 0 "[ ]"
2 5 G 0.059 0.032 1 0 "[ ]"
2 6 G 0.062 0.036 1 0 "[ ]"
2 7 A 0.070 0.036 1 0 "[ ]"
2 8 G 0.000 0.000 . 0 "[ ]"
2 10 C 0.000 0.000 . 0 "[ ]"
2 11 G 0.000 0.000 . 0 "[ ]"
2 12 U 0.070 0.036 1 0 "[ ]"
2 13 C 0.062 0.036 1 0 "[ ]"
2 14 C 0.059 0.032 1 0 "[ ]"
2 15 C 0.074 0.048 1 0 "[ ]"
2 16 A 0.055 0.043 1 0 "[ ]"
2 17 C 0.065 0.038 1 0 "[ ]"
2 18 C 0.011 0.011 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 2 1 G O6 2 18 C H41 1.700 . 1.800 1.702 1.702 1.702 . 0 0 "[ ]" 5
2 2 1 G H21 2 18 C N3 3.000 2.900 3.100 3.061 3.061 3.061 . 0 0 "[ ]" 5
3 2 1 G H21 2 18 C O2 2.000 . 2.100 2.111 2.111 2.111 0.011 1 0 "[ ]" 5
4 2 1 G H1 2 18 C N3 1.900 . 2.000 1.935 1.935 1.935 . 0 0 "[ ]" 5
5 2 1 G N1 2 18 C N3 2.900 2.800 3.000 2.928 2.928 2.928 . 0 0 "[ ]" 5
6 2 2 G O6 2 17 C H41 1.700 . 1.800 1.806 1.806 1.806 0.006 1 0 "[ ]" 5
7 2 2 G H21 2 17 C N3 3.000 2.900 3.100 2.879 2.879 2.879 0.021 1 0 "[ ]" 5
8 2 2 G H21 2 17 C O2 2.000 . 2.100 2.138 2.138 2.138 0.038 1 0 "[ ]" 5
9 2 2 G H1 2 17 C N3 1.900 . 2.000 1.920 1.920 1.920 . 0 0 "[ ]" 5
10 2 2 G N1 2 17 C N3 2.900 2.800 3.000 2.922 2.922 2.922 . 0 0 "[ ]" 5
11 2 3 U O2 2 16 A H2 3.200 3.100 3.300 3.343 3.343 3.343 0.043 1 0 "[ ]" 5
12 2 3 U H3 2 16 A N1 1.900 . 2.000 1.970 1.970 1.970 . 0 0 "[ ]" 5
13 2 3 U O4 2 16 A H61 1.800 . 1.900 1.912 1.912 1.912 0.012 1 0 "[ ]" 5
14 2 3 U H3 2 16 A H2 2.900 2.800 3.000 2.967 2.967 2.967 . 0 0 "[ ]" 5
15 2 3 U N3 2 16 A N1 2.900 2.800 3.000 2.934 2.934 2.934 . 0 0 "[ ]" 5
16 2 4 G O6 2 15 C H41 1.700 . 1.800 1.774 1.774 1.774 . 0 0 "[ ]" 5
17 2 4 G H21 2 15 C N3 3.000 2.900 3.100 2.874 2.874 2.874 0.026 1 0 "[ ]" 5
18 2 4 G H21 2 15 C O2 2.000 . 2.100 2.148 2.148 2.148 0.048 1 0 "[ ]" 5
19 2 4 G H1 2 15 C N3 1.900 . 2.000 1.938 1.938 1.938 . 0 0 "[ ]" 5
20 2 4 G N1 2 15 C N3 2.900 2.800 3.000 2.946 2.946 2.946 . 0 0 "[ ]" 5
21 2 5 G O6 2 14 C H41 1.700 . 1.800 1.807 1.807 1.807 0.007 1 0 "[ ]" 5
22 2 5 G H21 2 14 C N3 3.000 2.900 3.100 2.880 2.880 2.880 0.020 1 0 "[ ]" 5
23 2 5 G H21 2 14 C O2 2.000 . 2.100 2.132 2.132 2.132 0.032 1 0 "[ ]" 5
24 2 5 G H1 2 14 C N3 1.900 . 2.000 1.941 1.941 1.941 . 0 0 "[ ]" 5
25 2 5 G N1 2 14 C N3 2.900 2.800 3.000 2.941 2.941 2.941 . 0 0 "[ ]" 5
26 2 6 G O6 2 13 C H41 1.700 . 1.800 1.797 1.797 1.797 . 0 0 "[ ]" 5
27 2 6 G H21 2 13 C N3 3.000 2.900 3.100 2.864 2.864 2.864 0.036 1 0 "[ ]" 5
28 2 6 G H21 2 13 C O2 2.000 . 2.100 2.126 2.126 2.126 0.026 1 0 "[ ]" 5
29 2 6 G H1 2 13 C N3 1.900 . 2.000 1.859 1.859 1.859 . 0 0 "[ ]" 5
30 2 6 G N1 2 13 C N3 2.900 2.800 3.000 2.856 2.856 2.856 . 0 0 "[ ]" 5
31 2 7 A H2 2 12 U O2 3.200 3.100 3.300 3.336 3.336 3.336 0.036 1 0 "[ ]" 5
32 2 7 A N1 2 12 U H3 1.900 . 2.000 1.991 1.991 1.991 . 0 0 "[ ]" 5
33 2 7 A H61 2 12 U O4 1.800 . 1.900 1.711 1.711 1.711 . 0 0 "[ ]" 5
34 2 7 A H2 2 12 U H3 2.900 2.800 3.000 2.766 2.766 2.766 0.034 1 0 "[ ]" 5
35 2 7 A N1 2 12 U N3 2.900 2.800 3.000 2.982 2.982 2.982 . 0 0 "[ ]" 5
36 2 2 G H1 2 3 U H3 1.800 . 5.000 2.716 2.716 2.716 . 0 0 "[ ]" 5
37 2 3 U H3 2 4 G H1 1.800 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 5
38 2 4 G H1 2 5 G H1 1.800 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 5
39 2 5 G H1 2 6 G H1 1.800 . 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 5
40 2 6 G H1 2 12 U H3 1.800 . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 5
41 2 8 G H1 2 12 U H3 1.800 . 5.000 2.983 2.983 2.983 . 0 0 "[ ]" 5
42 2 2 G H1 2 17 C H41 1.800 . 5.000 2.325 2.325 2.325 . 0 0 "[ ]" 5
43 2 2 G H1 2 17 C H42 1.800 . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 5
44 2 4 G H1 2 15 C H41 1.800 . 5.000 2.316 2.316 2.316 . 0 0 "[ ]" 5
45 2 4 G H1 2 15 C H42 1.800 . 5.000 3.809 3.809 3.809 . 0 0 "[ ]" 5
46 2 5 G H1 2 14 C H41 1.800 . 5.000 2.331 2.331 2.331 . 0 0 "[ ]" 5
47 2 5 G H1 2 14 C H42 1.800 . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 5
48 2 6 G H1 2 13 C H41 1.800 . 5.000 2.380 2.380 2.380 . 0 0 "[ ]" 5
49 2 6 G H1 2 13 C H42 1.800 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 5
50 2 6 G H1 2 7 A H2 1.800 . 5.000 3.981 3.981 3.981 . 0 0 "[ ]" 5
51 2 7 A H61 2 12 U H3 1.800 . 5.000 2.680 2.680 2.680 . 0 0 "[ ]" 5
52 2 7 A H62 2 12 U H3 1.800 . 5.000 4.169 4.169 4.169 . 0 0 "[ ]" 5
53 2 12 U H3 2 13 C H41 1.800 . 5.000 3.952 3.952 3.952 . 0 0 "[ ]" 5
54 2 12 U H3 2 13 C H42 1.800 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 5
55 2 8 G H1 2 8 G H21 1.800 . 5.000 2.219 2.219 2.219 . 0 0 "[ ]" 5
56 2 8 G H1 2 8 G H22 1.800 . 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 5
57 2 8 G H1 2 10 C H6 1.800 . 5.000 4.950 4.950 4.950 . 0 0 "[ ]" 5
58 2 8 G H1 2 11 G H8 1.800 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 5
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