NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371671 |
1coc   |
4416 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1coc
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 67
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 0.564
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_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 DG 0.016 0.016 1 0 "[ ]"
1 2 DC 0.010 0.010 1 0 "[ ]"
1 3 DA 0.051 0.024 1 0 "[ ]"
1 4 DC 0.016 0.009 1 0 "[ ]"
1 5 DG 0.004 0.002 1 0 "[ ]"
1 6 DA 0.067 0.023 1 0 "[ ]"
1 7 DA 0.073 0.023 1 0 "[ ]"
1 8 DT 0.036 0.016 1 0 "[ ]"
1 9 DT 0.039 0.021 1 0 "[ ]"
1 10 DA 0.043 0.022 1 0 "[ ]"
1 11 DA 0.069 0.032 1 0 "[ ]"
1 12 DG 0.022 0.016 1 0 "[ ]"
2 1 DC 0.024 0.016 1 0 "[ ]"
2 2 DT 0.032 0.016 1 0 "[ ]"
2 3 DT 0.018 0.016 1 0 "[ ]"
2 4 DA 0.087 0.031 1 0 "[ ]"
2 5 DA 0.097 0.034 1 0 "[ ]"
2 6 DT 0.031 0.017 1 0 "[ ]"
2 7 DT 0.024 0.017 1 0 "[ ]"
2 8 DC 0.010 0.007 1 0 "[ ]"
2 9 DG 0.008 0.008 1 0 "[ ]"
2 10 DT 0.014 0.008 1 0 "[ ]"
2 11 DG 0.029 0.009 1 0 "[ ]"
2 12 DC 0.009 0.009 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 DA H1' 1 3 DA H2 0.000 4.200 4.500 4.420 4.420 4.420 . 0 0 "[ ]" 1
2 1 6 DA H1' 1 6 DA H2 0.000 4.200 4.500 4.511 4.511 4.511 0.011 1 0 "[ ]" 1
3 1 7 DA H1' 1 7 DA H2 0.000 4.200 4.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
4 1 10 DA H1' 1 10 DA H2 0.000 4.200 4.500 4.475 4.475 4.475 . 0 0 "[ ]" 1
5 1 11 DA H1' 1 11 DA H2 0.000 4.200 4.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
6 2 4 DA H1' 2 4 DA H2 0.000 4.200 4.500 4.521 4.521 4.521 0.021 1 0 "[ ]" 1
7 2 5 DA H1' 2 5 DA H2 0.000 4.200 4.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
8 1 3 DA H2 1 4 DC H1' 0.000 3.900 4.100 3.891 3.891 3.891 0.009 1 0 "[ ]" 1
9 1 6 DA H2 1 7 DA H1' 0.000 3.900 4.100 3.888 3.888 3.888 0.012 1 0 "[ ]" 1
10 1 7 DA H2 1 8 DT H1' 0.000 3.900 4.100 4.107 4.107 4.107 0.007 1 0 "[ ]" 1
11 1 10 DA H2 1 11 DA H1' 0.000 4.100 4.300 4.092 4.092 4.092 0.008 1 0 "[ ]" 1
12 1 11 DA H2 1 12 DG H1' 0.000 3.900 4.100 4.106 4.106 4.106 0.006 1 0 "[ ]" 1
13 2 4 DA H2 2 5 DA H1' 0.000 4.200 4.400 4.169 4.169 4.169 0.031 1 0 "[ ]" 1
14 2 5 DA H2 2 6 DT H1' 0.000 3.900 4.100 4.105 4.105 4.105 0.005 1 0 "[ ]" 1
15 1 3 DA H2 2 11 DG H1' 0.000 4.200 4.600 4.192 4.192 4.192 0.008 1 0 "[ ]" 1
16 1 6 DA H2 2 8 DC H1' 0.000 4.000 4.400 4.403 4.403 4.403 0.003 1 0 "[ ]" 1
17 1 7 DA H2 2 7 DT H1' 0.000 4.000 4.400 4.111 4.111 4.111 . 0 0 "[ ]" 1
18 1 10 DA H2 2 4 DA H1' 0.000 4.800 5.000 4.795 4.795 4.795 0.005 1 0 "[ ]" 1
19 1 11 DA H2 2 3 DT H1' 0.000 4.500 4.800 4.484 4.484 4.484 0.016 1 0 "[ ]" 1
20 1 10 DA H1' 2 4 DA H2 0.000 4.500 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
21 1 9 DT H1' 2 5 DA H2 0.000 4.500 4.800 4.479 4.479 4.479 0.021 1 0 "[ ]" 1
22 1 1 DG H1' 1 1 DG H8 0.000 3.500 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 1
23 1 2 DC H1' 1 2 DC H6 0.000 3.500 3.700 3.684 3.684 3.684 . 0 0 "[ ]" 1
24 1 3 DA H1' 1 3 DA H8 0.000 3.400 3.600 3.624 3.624 3.624 0.024 1 0 "[ ]" 1
25 1 4 DC H1' 1 4 DC H6 0.000 3.400 3.600 3.605 3.605 3.605 0.005 1 0 "[ ]" 1
26 1 5 DG H1' 1 5 DG H8 0.000 3.700 3.900 3.902 3.902 3.902 0.002 1 0 "[ ]" 1
27 1 6 DA H1' 1 6 DA H8 0.000 3.500 3.700 3.723 3.723 3.723 0.023 1 0 "[ ]" 1
28 1 7 DA H1' 1 7 DA H8 0.000 3.500 3.700 3.723 3.723 3.723 0.023 1 0 "[ ]" 1
29 1 8 DT H1' 1 8 DT H6 0.000 3.500 3.700 3.689 3.689 3.689 . 0 0 "[ ]" 1
30 1 9 DT H1' 1 9 DT H6 0.000 3.400 3.600 3.569 3.569 3.569 . 0 0 "[ ]" 1
31 1 10 DA H1' 1 10 DA H8 0.000 3.500 3.700 3.722 3.722 3.722 0.022 1 0 "[ ]" 1
32 1 11 DA H1' 1 11 DA H8 0.000 3.400 3.600 3.632 3.632 3.632 0.032 1 0 "[ ]" 1
33 1 12 DG H1' 1 12 DG H8 0.000 3.500 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 1
34 2 1 DC H1' 2 1 DC H6 0.000 3.500 3.700 3.708 3.708 3.708 0.008 1 0 "[ ]" 1
35 2 2 DT H1' 2 2 DT H6 0.000 3.400 3.600 3.614 3.614 3.614 0.014 1 0 "[ ]" 1
36 2 3 DT H1' 2 3 DT H6 0.000 3.500 3.800 3.710 3.710 3.710 . 0 0 "[ ]" 1
37 2 4 DA H1' 2 4 DA H8 0.000 3.400 3.600 3.629 3.629 3.629 0.029 1 0 "[ ]" 1
38 2 5 DA H1' 2 5 DA H8 0.000 3.400 3.600 3.634 3.634 3.634 0.034 1 0 "[ ]" 1
39 2 6 DT H1' 2 6 DT H6 0.000 3.400 3.600 3.605 3.605 3.605 0.005 1 0 "[ ]" 1
40 2 7 DT H1' 2 7 DT H6 0.000 3.400 3.600 3.577 3.577 3.577 . 0 0 "[ ]" 1
41 2 8 DC H1' 2 8 DC H6 0.000 3.500 3.800 3.649 3.649 3.649 . 0 0 "[ ]" 1
42 2 9 DG H1' 2 9 DG H8 0.000 3.500 3.800 3.808 3.808 3.808 0.008 1 0 "[ ]" 1
43 2 10 DT H1' 2 10 DT H6 0.000 3.400 3.600 3.605 3.605 3.605 0.005 1 0 "[ ]" 1
44 2 11 DG H1' 2 11 DG H8 0.000 3.700 3.900 3.903 3.903 3.903 0.003 1 0 "[ ]" 1
45 2 12 DC H1' 2 12 DC H6 0.000 3.500 3.700 3.646 3.646 3.646 . 0 0 "[ ]" 1
46 1 1 DG H1' 1 2 DC H6 0.000 3.500 3.700 3.556 3.556 3.556 . 0 0 "[ ]" 1
47 1 2 DC H1' 1 3 DA H8 0.000 3.500 3.700 3.710 3.710 3.710 0.010 1 0 "[ ]" 1
48 1 3 DA H1' 1 4 DC H6 0.000 3.400 3.600 3.407 3.407 3.407 . 0 0 "[ ]" 1
49 1 4 DC H1' 1 5 DG H8 0.000 3.800 4.000 3.799 3.799 3.799 0.001 1 0 "[ ]" 1
50 1 5 DG H1' 1 6 DA H8 0.000 3.700 3.900 3.699 3.699 3.699 0.001 1 0 "[ ]" 1
51 1 6 DA H1' 1 7 DA H8 0.000 3.400 3.600 3.618 3.618 3.618 0.018 1 0 "[ ]" 1
52 1 7 DA H1' 1 8 DT H6 0.000 3.400 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 1
53 1 8 DT H1' 1 9 DT H6 0.000 3.400 3.600 3.616 3.616 3.616 0.016 1 0 "[ ]" 1
54 1 9 DT H1' 1 10 DA H8 0.000 3.600 3.800 3.802 3.802 3.802 0.002 1 0 "[ ]" 1
55 1 10 DA H1' 1 11 DA H8 0.000 3.800 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
56 1 11 DA H1' 1 12 DG H8 0.000 3.400 3.600 3.551 3.551 3.551 . 0 0 "[ ]" 1
57 2 1 DC H1' 2 2 DT H6 0.000 3.500 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 1
58 2 2 DT H1' 2 3 DT H6 0.000 3.400 3.600 3.602 3.602 3.602 0.002 1 0 "[ ]" 1
59 2 3 DT H1' 2 4 DA H8 0.000 3.700 3.900 3.699 3.699 3.699 0.001 1 0 "[ ]" 1
60 2 4 DA H1' 2 5 DA H8 0.000 3.400 3.600 3.601 3.601 3.601 0.001 1 0 "[ ]" 1
61 2 5 DA H1' 2 6 DT H6 0.000 3.400 3.600 3.395 3.395 3.395 0.005 1 0 "[ ]" 1
62 2 6 DT H1' 2 7 DT H6 0.000 3.300 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
63 2 7 DT H1' 2 8 DC H6 0.000 3.400 3.600 3.393 3.393 3.393 0.007 1 0 "[ ]" 1
64 2 8 DC H1' 2 9 DG H8 0.000 3.800 4.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
65 2 9 DG H1' 2 10 DT H6 0.000 3.500 3.700 3.541 3.541 3.541 . 0 0 "[ ]" 1
66 2 10 DT H1' 2 11 DG H8 0.000 3.800 4.000 4.008 4.008 4.008 0.008 1 0 "[ ]" 1
67 2 11 DG H1' 2 12 DC H6 0.000 3.500 3.700 3.491 3.491 3.491 0.009 1 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 14
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 0.928
_Distance_constraint_stats_list.Viol_max 0.115
_Distance_constraint_stats_list.Viol_rms 0.0330
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0663
_Distance_constraint_stats_list.Viol_average_violations_only 0.0663
_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 7 DA 0.058 0.058 1 0 "[ ]"
1 8 DT 0.236 0.115 1 0 "[ ]"
1 9 DT 0.166 0.104 1 0 "[ ]"
2 1 DC 0.075 0.075 1 0 "[ ]"
2 2 DT 0.178 0.075 1 0 "[ ]"
2 3 DT 0.114 0.067 1 0 "[ ]"
2 5 DA 0.027 0.027 1 0 "[ ]"
2 6 DT 0.153 0.099 1 0 "[ ]"
2 7 DT 0.123 0.096 1 0 "[ ]"
2 9 DG 0.017 0.017 1 0 "[ ]"
2 10 DT 0.115 0.098 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 7 DA H8 1 8 DT C7 0.000 3.400 3.600 3.658 3.658 3.658 0.058 1 0 "[ ]" 2
2 1 8 DT H6 1 9 DT C7 0.000 3.100 3.300 3.362 3.362 3.362 0.062 1 0 "[ ]" 2
3 2 1 DC H6 2 2 DT C7 0.000 3.100 3.300 3.375 3.375 3.375 0.075 1 0 "[ ]" 2
4 2 2 DT H6 2 3 DT C7 0.000 3.200 3.400 3.467 3.467 3.467 0.067 1 0 "[ ]" 2
5 2 5 DA H8 2 6 DT C7 0.000 3.400 3.600 3.627 3.627 3.627 0.027 1 0 "[ ]" 2
6 2 6 DT H6 2 7 DT C7 0.000 3.400 3.600 3.627 3.627 3.627 0.027 1 0 "[ ]" 2
7 2 9 DG H8 2 10 DT C7 0.000 3.900 4.100 4.117 4.117 4.117 0.017 1 0 "[ ]" 2
8 1 8 DT C7 1 8 DT H6 0.000 3.000 3.200 2.885 2.885 2.885 0.115 1 0 "[ ]" 2
9 1 9 DT C7 1 9 DT H6 0.000 3.000 3.200 2.896 2.896 2.896 0.104 1 0 "[ ]" 2
10 2 2 DT C7 2 2 DT H6 0.000 2.800 3.200 2.764 2.764 2.764 0.036 1 0 "[ ]" 2
11 2 3 DT C7 2 3 DT H6 0.000 2.800 3.200 2.753 2.753 2.753 0.047 1 0 "[ ]" 2
12 2 6 DT C7 2 6 DT H6 0.000 3.000 3.200 2.901 2.901 2.901 0.099 1 0 "[ ]" 2
13 2 7 DT C7 2 7 DT H6 0.000 3.000 3.200 2.904 2.904 2.904 0.096 1 0 "[ ]" 2
14 2 10 DT C7 2 10 DT H6 0.000 3.000 3.200 2.902 2.902 2.902 0.098 1 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 309
_Distance_constraint_stats_list.Viol_count 153
_Distance_constraint_stats_list.Viol_total 2.293
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0150
_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 DG 0.061 0.023 1 0 "[ ]"
1 2 DC 0.088 0.025 1 0 "[ ]"
1 3 DA 0.158 0.061 1 0 "[ ]"
1 4 DC 0.269 0.064 1 0 "[ ]"
1 5 DG 0.148 0.064 1 0 "[ ]"
1 6 DA 0.109 0.052 1 0 "[ ]"
1 7 DA 0.097 0.030 1 0 "[ ]"
1 8 DT 0.123 0.032 1 0 "[ ]"
1 9 DT 0.137 0.034 1 0 "[ ]"
1 10 DA 0.148 0.052 1 0 "[ ]"
1 11 DA 0.064 0.017 1 0 "[ ]"
1 12 DG 0.056 0.015 1 0 "[ ]"
2 1 DC 0.195 0.078 1 0 "[ ]"
2 2 DT 0.119 0.030 1 0 "[ ]"
2 3 DT 0.070 0.026 1 0 "[ ]"
2 4 DA 0.105 0.054 1 0 "[ ]"
2 5 DA 0.101 0.044 1 0 "[ ]"
2 6 DT 0.155 0.045 1 0 "[ ]"
2 7 DT 0.124 0.031 1 0 "[ ]"
2 8 DC 0.098 0.031 1 0 "[ ]"
2 9 DG 0.050 0.016 1 0 "[ ]"
2 10 DT 0.107 0.032 1 0 "[ ]"
2 11 DG 0.087 0.029 1 0 "[ ]"
2 12 DC 0.078 0.029 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 DG H2' 1 1 DG H8 0.000 2.750 2.950 2.799 2.799 2.799 . 0 0 "[ ]" 3
2 1 2 DC H2' 1 2 DC H6 0.000 2.450 2.650 2.446 2.446 2.446 0.004 1 0 "[ ]" 3
3 1 3 DA H2' 1 3 DA H8 0.000 2.750 2.950 2.750 2.750 2.750 0.000 1 0 "[ ]" 3
4 1 4 DC H2' 1 4 DC H6 0.000 2.350 2.550 2.345 2.345 2.345 0.005 1 0 "[ ]" 3
5 1 5 DG H2' 1 5 DG H8 0.000 2.750 2.950 2.750 2.750 2.750 0.000 1 0 "[ ]" 3
6 1 6 DA H2' 1 6 DA H8 0.000 2.750 2.950 2.766 2.766 2.766 . 0 0 "[ ]" 3
7 1 7 DA H2' 1 7 DA H8 0.000 2.750 2.950 2.750 2.750 2.750 0.000 1 0 "[ ]" 3
8 1 8 DT H2' 1 8 DT H6 0.000 2.350 2.650 2.350 2.350 2.350 0.000 1 0 "[ ]" 3
9 1 9 DT H2' 1 9 DT H6 0.000 2.550 2.750 2.529 2.529 2.529 0.021 1 0 "[ ]" 3
10 1 10 DA H2' 1 10 DA H8 0.000 2.750 2.950 2.747 2.747 2.747 0.003 1 0 "[ ]" 3
11 1 11 DA H2' 1 11 DA H8 0.000 2.750 2.950 2.770 2.770 2.770 . 0 0 "[ ]" 3
12 1 12 DG H2' 1 12 DG H8 0.000 2.650 2.850 2.640 2.640 2.640 0.010 1 0 "[ ]" 3
13 2 1 DC H2' 2 1 DC H6 0.000 2.750 2.950 2.737 2.737 2.737 0.013 1 0 "[ ]" 3
14 2 2 DT H2' 2 2 DT H6 0.000 2.250 2.450 2.394 2.394 2.394 . 0 0 "[ ]" 3
15 2 3 DT H2' 2 3 DT H6 0.000 2.250 2.450 2.351 2.351 2.351 . 0 0 "[ ]" 3
16 2 4 DA H2' 2 4 DA H8 0.000 2.750 2.950 2.744 2.744 2.744 0.006 1 0 "[ ]" 3
17 2 5 DA H2' 2 5 DA H8 0.000 2.750 2.950 2.750 2.750 2.750 . 0 0 "[ ]" 3
18 2 6 DT H2' 2 6 DT H6 0.000 2.550 2.850 2.532 2.532 2.532 0.018 1 0 "[ ]" 3
19 2 7 DT H2' 2 7 DT H6 0.000 2.050 2.250 2.102 2.102 2.102 . 0 0 "[ ]" 3
20 2 8 DC H2' 2 8 DC H6 0.000 2.250 2.450 2.246 2.246 2.246 0.004 1 0 "[ ]" 3
21 2 9 DG H2' 2 9 DG H8 0.000 2.550 2.950 2.657 2.657 2.657 . 0 0 "[ ]" 3
22 2 10 DT H2' 2 10 DT H6 0.000 2.550 2.850 2.598 2.598 2.598 . 0 0 "[ ]" 3
23 2 11 DG H2' 2 11 DG H8 0.000 2.950 3.150 2.941 2.941 2.941 0.009 1 0 "[ ]" 3
24 2 12 DC H2' 2 12 DC H6 0.000 2.450 2.650 2.438 2.438 2.438 0.012 1 0 "[ ]" 3
25 1 1 DG H2' 1 2 DC H6 0.000 4.150 4.450 4.299 4.299 4.299 . 0 0 "[ ]" 3
26 1 2 DC H2' 1 3 DA H8 0.000 4.250 4.450 4.242 4.242 4.242 0.008 1 0 "[ ]" 3
27 1 3 DA H2' 1 4 DC H6 0.000 4.150 4.450 4.276 4.276 4.276 . 0 0 "[ ]" 3
28 1 4 DC H2' 1 5 DG H8 0.000 4.350 4.650 4.655 4.655 4.655 0.005 1 0 "[ ]" 3
29 1 5 DG H2' 1 6 DA H8 0.000 4.350 4.650 4.355 4.355 4.355 . 0 0 "[ ]" 3
30 1 6 DA H2' 1 7 DA H8 0.000 4.350 4.650 4.443 4.443 4.443 . 0 0 "[ ]" 3
31 1 7 DA H2' 1 8 DT H6 0.000 4.050 4.450 4.353 4.353 4.353 . 0 0 "[ ]" 3
32 1 8 DT H2' 1 9 DT H6 0.000 4.050 4.250 4.046 4.046 4.046 0.004 1 0 "[ ]" 3
33 1 9 DT H2' 1 10 DA H8 0.000 4.550 4.750 4.537 4.537 4.537 0.013 1 0 "[ ]" 3
34 1 10 DA H2' 1 11 DA H8 0.000 4.350 4.550 4.350 4.350 4.350 . 0 0 "[ ]" 3
35 1 11 DA H2' 1 12 DG H8 0.000 3.850 4.050 4.052 4.052 4.052 0.002 1 0 "[ ]" 3
36 2 1 DC H2' 2 2 DT H6 0.000 3.850 4.050 3.833 3.833 3.833 0.017 1 0 "[ ]" 3
37 2 2 DT H2' 2 3 DT H6 0.000 4.050 4.450 4.036 4.036 4.036 0.014 1 0 "[ ]" 3
38 2 3 DT H2' 2 4 DA H8 0.000 3.950 4.150 3.944 3.944 3.944 0.006 1 0 "[ ]" 3
39 2 4 DA H2' 2 5 DA H8 0.000 4.150 4.450 4.391 4.391 4.391 . 0 0 "[ ]" 3
40 2 5 DA H2' 2 6 DT H6 0.000 4.050 4.450 4.202 4.202 4.202 . 0 0 "[ ]" 3
41 2 6 DT H2' 2 7 DT H6 0.000 4.150 4.450 4.146 4.146 4.146 0.004 1 0 "[ ]" 3
42 2 7 DT H2' 2 8 DC H6 0.000 4.050 4.450 4.176 4.176 4.176 . 0 0 "[ ]" 3
43 2 8 DC H2' 2 9 DG H8 0.000 4.050 4.550 4.046 4.046 4.046 0.004 1 0 "[ ]" 3
44 2 9 DG H2' 2 10 DT H6 0.000 4.250 4.450 4.313 4.313 4.313 . 0 0 "[ ]" 3
45 2 10 DT H2' 2 11 DG H8 0.000 4.550 4.750 4.547 4.547 4.547 0.003 1 0 "[ ]" 3
46 2 11 DG H2' 2 12 DC H6 0.000 4.050 4.450 4.452 4.452 4.452 0.002 1 0 "[ ]" 3
47 1 1 DG H2'' 1 1 DG H8 0.000 3.900 4.200 4.012 4.012 4.012 . 0 0 "[ ]" 3
48 1 2 DC H2'' 1 2 DC H6 0.000 3.800 4.000 3.796 3.796 3.796 0.004 1 0 "[ ]" 3
49 1 3 DA H2'' 1 3 DA H8 0.000 4.000 4.200 3.992 3.992 3.992 0.008 1 0 "[ ]" 3
50 1 4 DC H2'' 1 4 DC H6 0.000 3.500 3.800 3.725 3.725 3.725 . 0 0 "[ ]" 3
51 1 5 DG H2'' 1 5 DG H8 0.000 4.000 4.200 3.998 3.998 3.998 0.002 1 0 "[ ]" 3
52 1 6 DA H2'' 1 6 DA H8 0.000 4.000 4.200 3.998 3.998 3.998 0.002 1 0 "[ ]" 3
53 1 7 DA H2'' 1 7 DA H8 0.000 4.000 4.200 3.990 3.990 3.990 0.010 1 0 "[ ]" 3
54 1 8 DT H2'' 1 8 DT H6 0.000 3.800 4.000 3.784 3.784 3.784 0.016 1 0 "[ ]" 3
55 1 9 DT H2'' 1 9 DT H6 0.000 3.400 3.600 3.603 3.603 3.603 0.003 1 0 "[ ]" 3
56 1 10 DA H2'' 1 10 DA H8 0.000 4.000 4.200 3.997 3.997 3.997 0.003 1 0 "[ ]" 3
57 1 11 DA H2'' 1 11 DA H8 0.000 4.000 4.200 3.983 3.983 3.983 0.017 1 0 "[ ]" 3
58 1 12 DG H2'' 1 12 DG H8 0.000 3.500 3.800 3.539 3.539 3.539 . 0 0 "[ ]" 3
59 2 1 DC H2'' 2 1 DC H6 0.000 4.000 4.200 3.986 3.986 3.986 0.014 1 0 "[ ]" 3
60 2 2 DT H2'' 2 2 DT H6 0.000 3.800 4.000 3.776 3.776 3.776 0.024 1 0 "[ ]" 3
61 2 3 DT H2'' 2 3 DT H6 0.000 3.800 4.000 3.788 3.788 3.788 0.012 1 0 "[ ]" 3
62 2 4 DA H2'' 2 4 DA H8 0.000 3.800 4.100 3.849 3.849 3.849 . 0 0 "[ ]" 3
63 2 5 DA H2'' 2 5 DA H8 0.000 4.000 4.200 3.988 3.988 3.988 0.012 1 0 "[ ]" 3
64 2 6 DT H2'' 2 6 DT H6 0.000 3.600 3.800 3.685 3.685 3.685 . 0 0 "[ ]" 3
65 2 7 DT H2'' 2 7 DT H6 0.000 3.400 3.600 3.399 3.399 3.399 0.001 1 0 "[ ]" 3
66 2 8 DC H2'' 2 8 DC H6 0.000 3.400 3.600 3.570 3.570 3.570 . 0 0 "[ ]" 3
67 2 9 DG H2'' 2 9 DG H8 0.000 3.800 4.200 3.830 3.830 3.830 . 0 0 "[ ]" 3
68 2 10 DT H2'' 2 10 DT H6 0.000 4.000 4.200 3.984 3.984 3.984 0.016 1 0 "[ ]" 3
69 2 11 DG H2'' 2 11 DG H8 0.000 4.000 4.200 4.063 4.063 4.063 . 0 0 "[ ]" 3
70 2 12 DC H2'' 2 12 DC H6 0.000 3.500 3.700 3.711 3.711 3.711 0.011 1 0 "[ ]" 3
71 1 1 DG H2'' 1 2 DC H6 0.000 2.700 3.000 2.691 2.691 2.691 0.009 1 0 "[ ]" 3
72 1 2 DC H2'' 1 3 DA H8 0.000 3.000 3.200 2.999 2.999 2.999 0.001 1 0 "[ ]" 3
73 1 3 DA H2'' 1 4 DC H6 0.000 3.000 3.200 2.991 2.991 2.991 0.009 1 0 "[ ]" 3
74 1 4 DC H2'' 1 5 DG H8 0.000 3.700 3.900 3.676 3.676 3.676 0.024 1 0 "[ ]" 3
75 1 5 DG H2'' 1 6 DA H8 0.000 3.000 3.200 3.084 3.084 3.084 . 0 0 "[ ]" 3
76 1 6 DA H2'' 1 7 DA H8 0.000 3.000 3.200 2.995 2.995 2.995 0.005 1 0 "[ ]" 3
77 1 7 DA H2'' 1 8 DT H6 0.000 3.000 3.200 2.989 2.989 2.989 0.011 1 0 "[ ]" 3
78 1 8 DT H2'' 1 9 DT H6 0.000 3.000 3.200 2.982 2.982 2.982 0.018 1 0 "[ ]" 3
79 1 9 DT H2'' 1 10 DA H8 0.000 2.600 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 3
80 1 10 DA H2'' 1 11 DA H8 0.000 3.200 3.400 3.191 3.191 3.191 0.009 1 0 "[ ]" 3
81 1 11 DA H2'' 1 12 DG H8 0.000 3.000 3.200 2.996 2.996 2.996 0.004 1 0 "[ ]" 3
82 2 1 DC H2'' 2 2 DT H6 0.000 2.600 2.800 2.681 2.681 2.681 . 0 0 "[ ]" 3
83 2 2 DT H2'' 2 3 DT H6 0.000 2.600 3.000 2.639 2.639 2.639 . 0 0 "[ ]" 3
84 2 3 DT H2'' 2 4 DA H8 0.000 2.600 2.800 2.786 2.786 2.786 . 0 0 "[ ]" 3
85 2 4 DA H2'' 2 5 DA H8 0.000 2.800 3.000 2.796 2.796 2.796 0.004 1 0 "[ ]" 3
86 2 5 DA H2'' 2 6 DT H6 0.000 2.800 3.000 2.798 2.798 2.798 0.002 1 0 "[ ]" 3
87 2 6 DT H2'' 2 7 DT H6 0.000 2.800 3.000 2.788 2.788 2.788 0.012 1 0 "[ ]" 3
88 2 7 DT H2'' 2 8 DC H6 0.000 2.800 3.000 2.790 2.790 2.790 0.010 1 0 "[ ]" 3
89 2 8 DC H2'' 2 9 DG H8 0.000 2.800 3.000 2.958 2.958 2.958 . 0 0 "[ ]" 3
90 2 9 DG H2'' 2 10 DT H6 0.000 2.900 3.100 2.894 2.894 2.894 0.006 1 0 "[ ]" 3
91 2 10 DT H2'' 2 11 DG H8 0.000 3.400 3.600 3.391 3.391 3.391 0.009 1 0 "[ ]" 3
92 2 11 DG H2'' 2 12 DC H6 0.000 3.000 3.200 2.994 2.994 2.994 0.006 1 0 "[ ]" 3
93 1 1 DG H3' 1 1 DG H8 0.000 4.950 5.350 4.927 4.927 4.927 0.023 1 0 "[ ]" 3
94 1 2 DC H3' 1 2 DC H6 0.000 3.850 4.250 4.275 4.275 4.275 0.025 1 0 "[ ]" 3
95 1 3 DA H3' 1 3 DA H8 0.000 4.950 5.350 4.917 4.917 4.917 0.033 1 0 "[ ]" 3
96 1 4 DC H3' 1 4 DC H6 0.000 3.850 4.250 4.277 4.277 4.277 0.027 1 0 "[ ]" 3
97 1 5 DG H3' 1 5 DG H8 0.000 4.950 5.350 4.942 4.942 4.942 0.008 1 0 "[ ]" 3
98 1 6 DA H3' 1 6 DA H8 0.000 4.950 5.350 4.898 4.898 4.898 0.052 1 0 "[ ]" 3
99 1 7 DA H3' 1 7 DA H8 0.000 4.950 5.350 4.920 4.920 4.920 0.030 1 0 "[ ]" 3
100 1 8 DT H3' 1 8 DT H6 0.000 3.850 4.250 4.282 4.282 4.282 0.032 1 0 "[ ]" 3
101 1 9 DT H3' 1 9 DT H6 0.000 3.850 4.250 4.284 4.284 4.284 0.034 1 0 "[ ]" 3
102 1 10 DA H3' 1 10 DA H8 0.000 4.950 5.350 4.902 4.902 4.902 0.048 1 0 "[ ]" 3
103 1 11 DA H3' 1 11 DA H8 0.000 4.950 5.350 4.941 4.941 4.941 0.009 1 0 "[ ]" 3
104 1 12 DG H3' 1 12 DG H8 0.000 4.950 5.350 4.940 4.940 4.940 0.010 1 0 "[ ]" 3
105 2 1 DC H3' 2 1 DC H6 0.000 3.850 4.250 4.328 4.328 4.328 0.078 1 0 "[ ]" 3
106 2 2 DT H3' 2 2 DT H6 0.000 3.850 4.250 4.267 4.267 4.267 0.017 1 0 "[ ]" 3
107 2 3 DT H3' 2 3 DT H6 0.000 3.850 4.250 4.171 4.171 4.171 . 0 0 "[ ]" 3
108 2 4 DA H3' 2 4 DA H8 0.000 4.950 5.350 4.896 4.896 4.896 0.054 1 0 "[ ]" 3
109 2 5 DA H3' 2 5 DA H8 0.000 4.950 5.350 4.906 4.906 4.906 0.044 1 0 "[ ]" 3
110 2 6 DT H3' 2 6 DT H6 0.000 3.850 4.250 4.295 4.295 4.295 0.045 1 0 "[ ]" 3
111 2 7 DT H3' 2 7 DT H6 0.000 3.850 4.250 4.216 4.216 4.216 . 0 0 "[ ]" 3
112 2 8 DC H3' 2 8 DC H6 0.000 3.850 4.250 4.159 4.159 4.159 . 0 0 "[ ]" 3
113 2 9 DG H3' 2 9 DG H8 0.000 4.950 5.350 4.939 4.939 4.939 0.011 1 0 "[ ]" 3
114 2 10 DT H3' 2 10 DT H6 0.000 3.850 4.250 4.282 4.282 4.282 0.032 1 0 "[ ]" 3
115 2 11 DG H3' 2 11 DG H8 0.000 4.950 5.350 5.014 5.014 5.014 . 0 0 "[ ]" 3
116 2 12 DC H3' 2 12 DC H6 0.000 3.850 4.250 4.094 4.094 4.094 . 0 0 "[ ]" 3
117 1 1 DG H3' 1 2 DC H6 0.000 4.950 6.050 5.156 5.156 5.156 . 0 0 "[ ]" 3
118 1 2 DC H3' 1 3 DA H8 0.000 4.950 6.050 5.682 5.682 5.682 . 0 0 "[ ]" 3
119 1 3 DA H3' 1 4 DC H6 0.000 4.950 6.050 5.671 5.671 5.671 . 0 0 "[ ]" 3
120 1 4 DC H3' 1 5 DG H8 0.000 4.950 6.050 6.114 6.114 6.114 0.064 1 0 "[ ]" 3
121 1 5 DG H3' 1 6 DA H8 0.000 4.950 6.050 5.790 5.790 5.790 . 0 0 "[ ]" 3
122 1 6 DA H3' 1 7 DA H8 0.000 4.950 6.050 5.672 5.672 5.672 . 0 0 "[ ]" 3
123 1 7 DA H3' 1 8 DT H6 0.000 4.950 6.050 5.596 5.596 5.596 . 0 0 "[ ]" 3
124 1 8 DT H3' 1 9 DT H6 0.000 4.950 6.050 5.501 5.501 5.501 . 0 0 "[ ]" 3
125 1 9 DT H3' 1 10 DA H8 0.000 4.950 6.050 5.383 5.383 5.383 . 0 0 "[ ]" 3
126 1 10 DA H3' 1 11 DA H8 0.000 4.950 6.050 5.887 5.887 5.887 . 0 0 "[ ]" 3
127 1 11 DA H3' 1 12 DG H8 0.000 4.950 6.050 5.670 5.670 5.670 . 0 0 "[ ]" 3
128 2 1 DC H3' 2 2 DT H6 0.000 4.050 6.050 5.331 5.331 5.331 . 0 0 "[ ]" 3
129 2 2 DT H3' 2 3 DT H6 0.000 4.950 6.050 5.351 5.351 5.351 . 0 0 "[ ]" 3
130 2 3 DT H3' 2 4 DA H8 0.000 4.950 6.050 5.534 5.534 5.534 . 0 0 "[ ]" 3
131 2 4 DA H3' 2 5 DA H8 0.000 4.950 6.050 5.395 5.395 5.395 . 0 0 "[ ]" 3
132 2 5 DA H3' 2 6 DT H6 0.000 4.950 6.050 5.464 5.464 5.464 . 0 0 "[ ]" 3
133 2 6 DT H3' 2 7 DT H6 0.000 4.950 6.050 5.452 5.452 5.452 . 0 0 "[ ]" 3
134 2 7 DT H3' 2 8 DC H6 0.000 4.950 6.050 5.424 5.424 5.424 . 0 0 "[ ]" 3
135 2 8 DC H3' 2 9 DG H8 0.000 4.950 6.050 5.698 5.698 5.698 . 0 0 "[ ]" 3
136 2 9 DG H3' 2 10 DT H6 0.000 4.950 6.050 5.501 5.501 5.501 . 0 0 "[ ]" 3
137 2 10 DT H3' 2 11 DG H8 0.000 4.950 6.050 6.039 6.039 6.039 . 0 0 "[ ]" 3
138 2 11 DG H3' 2 12 DC H6 0.000 4.950 6.050 5.618 5.618 5.618 . 0 0 "[ ]" 3
139 1 1 DG H1' 1 1 DG H3' 0.000 3.800 4.200 3.790 3.790 3.790 0.010 1 0 "[ ]" 3
140 1 2 DC H1' 1 2 DC H3' 0.000 3.700 3.900 3.732 3.732 3.732 . 0 0 "[ ]" 3
141 1 3 DA H1' 1 3 DA H3' 0.000 4.000 4.200 3.939 3.939 3.939 0.061 1 0 "[ ]" 3
142 1 4 DC H1' 1 4 DC H3' 0.000 3.800 4.200 3.763 3.763 3.763 0.037 1 0 "[ ]" 3
143 1 5 DG H1' 1 5 DG H3' 0.000 3.800 4.200 3.828 3.828 3.828 . 0 0 "[ ]" 3
144 1 6 DA H1' 1 6 DA H3' 0.000 3.800 4.000 3.829 3.829 3.829 . 0 0 "[ ]" 3
145 1 7 DA H1' 1 7 DA H3' 0.000 3.700 3.900 3.730 3.730 3.730 . 0 0 "[ ]" 3
146 1 8 DT H1' 1 8 DT H3' 0.000 3.600 3.800 3.740 3.740 3.740 . 0 0 "[ ]" 3
147 1 9 DT H1' 1 9 DT H3' 0.000 3.700 3.900 3.703 3.703 3.703 . 0 0 "[ ]" 3
148 1 10 DA H1' 1 10 DA H3' 0.000 4.000 4.200 3.948 3.948 3.948 0.052 1 0 "[ ]" 3
149 1 11 DA H1' 1 11 DA H3' 0.000 3.800 4.200 3.795 3.795 3.795 0.005 1 0 "[ ]" 3
150 1 12 DG H1' 1 12 DG H3' 0.000 3.800 4.000 3.785 3.785 3.785 0.015 1 0 "[ ]" 3
151 2 1 DC H1' 2 1 DC H3' 0.000 3.800 4.200 3.766 3.766 3.766 0.034 1 0 "[ ]" 3
152 2 2 DT H1' 2 2 DT H3' 0.000 3.800 4.200 3.795 3.795 3.795 0.005 1 0 "[ ]" 3
153 2 3 DT H1' 2 3 DT H3' 0.000 3.800 4.200 3.806 3.806 3.806 . 0 0 "[ ]" 3
154 2 4 DA H1' 2 4 DA H3' 0.000 3.800 4.000 3.844 3.844 3.844 . 0 0 "[ ]" 3
155 2 5 DA H1' 2 5 DA H3' 0.000 3.700 3.900 3.761 3.761 3.761 . 0 0 "[ ]" 3
156 2 6 DT H1' 2 6 DT H3' 0.000 3.800 4.200 3.767 3.767 3.767 0.033 1 0 "[ ]" 3
157 2 7 DT H1' 2 7 DT H3' 0.000 3.800 4.200 3.781 3.781 3.781 0.019 1 0 "[ ]" 3
158 2 8 DC H1' 2 8 DC H3' 0.000 3.800 4.200 3.799 3.799 3.799 0.001 1 0 "[ ]" 3
159 2 9 DG H1' 2 9 DG H3' 0.000 3.700 3.900 3.738 3.738 3.738 . 0 0 "[ ]" 3
160 2 10 DT H1' 2 10 DT H3' 0.000 3.700 3.900 3.768 3.768 3.768 . 0 0 "[ ]" 3
161 2 11 DG H1' 2 11 DG H3' 0.000 3.800 4.200 3.790 3.790 3.790 0.010 1 0 "[ ]" 3
162 2 12 DC H1' 2 12 DC H3' 0.000 3.800 4.200 3.853 3.853 3.853 . 0 0 "[ ]" 3
163 1 1 DG H2'' 1 1 DG H3' 0.000 2.500 3.000 2.696 2.696 2.696 . 0 0 "[ ]" 3
164 1 2 DC H2'' 1 2 DC H3' 0.000 2.500 3.000 2.684 2.684 2.684 . 0 0 "[ ]" 3
165 1 3 DA H2'' 1 3 DA H3' 0.000 2.500 3.000 2.718 2.718 2.718 . 0 0 "[ ]" 3
166 1 4 DC H2'' 1 4 DC H3' 0.000 2.500 3.000 2.483 2.483 2.483 0.017 1 0 "[ ]" 3
167 1 5 DG H2'' 1 5 DG H3' 0.000 2.500 3.000 2.715 2.715 2.715 . 0 0 "[ ]" 3
168 1 6 DA H2'' 1 6 DA H3' 0.000 2.500 3.000 2.750 2.750 2.750 . 0 0 "[ ]" 3
169 1 7 DA H2'' 1 7 DA H3' 0.000 2.500 3.000 2.655 2.655 2.655 . 0 0 "[ ]" 3
170 1 8 DT H2'' 1 8 DT H3' 0.000 2.500 3.000 2.528 2.528 2.528 . 0 0 "[ ]" 3
171 1 9 DT H2'' 1 9 DT H3' 0.000 2.500 3.000 2.782 2.782 2.782 . 0 0 "[ ]" 3
172 1 10 DA H2'' 1 10 DA H3' 0.000 2.500 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 3
173 1 11 DA H2'' 1 11 DA H3' 0.000 2.500 3.000 2.683 2.683 2.683 . 0 0 "[ ]" 3
174 1 12 DG H2'' 1 12 DG H3' 0.000 2.500 3.000 2.728 2.728 2.728 . 0 0 "[ ]" 3
175 2 1 DC H2'' 2 1 DC H3' 0.000 2.500 3.000 2.705 2.705 2.705 . 0 0 "[ ]" 3
176 2 2 DT H2'' 2 2 DT H3' 0.000 2.500 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 3
177 2 3 DT H2'' 2 3 DT H3' 0.000 2.500 3.000 2.769 2.769 2.769 . 0 0 "[ ]" 3
178 2 4 DA H2'' 2 4 DA H3' 0.000 2.500 3.000 2.769 2.769 2.769 . 0 0 "[ ]" 3
179 2 5 DA H2'' 2 5 DA H3' 0.000 2.500 3.000 2.712 2.712 2.712 . 0 0 "[ ]" 3
180 2 6 DT H2'' 2 6 DT H3' 0.000 2.500 3.000 2.670 2.670 2.670 . 0 0 "[ ]" 3
181 2 7 DT H2'' 2 7 DT H3' 0.000 2.500 3.000 2.680 2.680 2.680 . 0 0 "[ ]" 3
182 2 8 DC H2'' 2 8 DC H3' 0.000 2.500 3.000 2.760 2.760 2.760 . 0 0 "[ ]" 3
183 2 9 DG H2'' 2 9 DG H3' 0.000 2.500 3.000 2.680 2.680 2.680 . 0 0 "[ ]" 3
184 2 10 DT H2'' 2 10 DT H3' 0.000 2.500 3.000 2.652 2.652 2.652 . 0 0 "[ ]" 3
185 2 11 DG H2'' 2 11 DG H3' 0.000 2.500 3.000 2.699 2.699 2.699 . 0 0 "[ ]" 3
186 2 12 DC H2'' 2 12 DC H3' 0.000 2.500 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 3
187 1 1 DG H1' 1 1 DG H4' 0.000 3.200 3.600 3.201 3.201 3.201 . 0 0 "[ ]" 3
188 1 2 DC H1' 1 2 DC H4' 0.000 2.800 3.000 3.010 3.010 3.010 0.010 1 0 "[ ]" 3
189 1 3 DA H1' 1 3 DA H4' 0.000 2.900 3.100 3.090 3.090 3.090 . 0 0 "[ ]" 3
190 1 4 DC H1' 1 4 DC H4' 0.000 2.600 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 3
191 1 5 DG H1' 1 5 DG H4' 0.000 3.600 3.800 3.577 3.577 3.577 0.023 1 0 "[ ]" 3
192 1 6 DA H1' 1 6 DA H4' 0.000 2.600 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 3
193 1 7 DA H1' 1 7 DA H4' 0.000 2.600 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 3
194 1 8 DT H1' 1 8 DT H4' 0.000 2.600 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 3
195 1 9 DT H1' 1 9 DT H4' 0.000 2.600 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 3
196 1 10 DA H1' 1 10 DA H4' 0.000 3.400 3.800 3.399 3.399 3.399 0.001 1 0 "[ ]" 3
197 1 11 DA H1' 1 11 DA H4' 0.000 3.400 3.800 3.391 3.391 3.391 0.009 1 0 "[ ]" 3
198 1 12 DG H1' 1 12 DG H4' 0.000 3.400 3.800 3.392 3.392 3.392 0.008 1 0 "[ ]" 3
199 2 1 DC H1' 2 1 DC H4' 0.000 2.600 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 3
200 2 2 DT H1' 2 2 DT H4' 0.000 2.600 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 3
201 2 3 DT H1' 2 3 DT H4' 0.000 2.600 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 3
202 2 4 DA H1' 2 4 DA H4' 0.000 3.000 3.200 3.049 3.049 3.049 . 0 0 "[ ]" 3
203 2 5 DA H1' 2 5 DA H4' 0.000 3.000 3.200 3.202 3.202 3.202 0.002 1 0 "[ ]" 3
204 2 6 DT H1' 2 6 DT H4' 0.000 2.600 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 3
205 2 7 DT H1' 2 7 DT H4' 0.000 2.600 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 3
206 2 8 DC H1' 2 8 DC H4' 0.000 2.600 2.800 2.808 2.808 2.808 0.008 1 0 "[ ]" 3
207 2 9 DG H1' 2 9 DG H4' 0.000 3.200 3.600 3.194 3.194 3.194 0.006 1 0 "[ ]" 3
208 2 10 DT H1' 2 10 DT H4' 0.000 2.600 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 3
209 2 11 DG H1' 2 11 DG H4' 0.000 3.200 3.600 3.194 3.194 3.194 0.006 1 0 "[ ]" 3
210 2 12 DC H1' 2 12 DC H4' 0.000 2.700 3.000 2.991 2.991 2.991 . 0 0 "[ ]" 3
211 1 1 DG H1' 1 1 DG H5'' 0.000 5.050 6.000 5.034 5.034 5.034 0.016 1 0 "[ ]" 3
212 1 2 DC H1' 1 2 DC H5'' 0.000 5.050 6.000 5.027 5.027 5.027 0.023 1 0 "[ ]" 3
213 1 3 DA H1' 1 3 DA H5'' 0.000 5.050 6.000 5.039 5.039 5.039 0.011 1 0 "[ ]" 3
214 1 4 DC H1' 1 4 DC H5'' 0.000 5.050 6.000 5.020 5.020 5.020 0.030 1 0 "[ ]" 3
215 1 5 DG H1' 1 5 DG H5'' 0.000 5.050 6.000 5.113 5.113 5.113 . 0 0 "[ ]" 3
216 1 6 DA H1' 1 6 DA H5'' 0.000 5.050 6.000 5.022 5.022 5.022 0.028 1 0 "[ ]" 3
217 1 7 DA H1' 1 7 DA H5'' 0.000 5.000 6.000 4.974 4.974 4.974 0.026 1 0 "[ ]" 3
218 1 8 DT H1' 1 8 DT H5'' 0.000 5.050 6.000 5.020 5.020 5.020 0.030 1 0 "[ ]" 3
219 1 9 DT H1' 1 9 DT H5'' 0.000 5.050 6.000 5.018 5.018 5.018 0.032 1 0 "[ ]" 3
220 1 10 DA H1' 1 10 DA H5'' 0.000 5.050 6.000 5.044 5.044 5.044 0.006 1 0 "[ ]" 3
221 1 11 DA H1' 1 11 DA H5'' 0.000 5.050 6.000 5.046 5.046 5.046 0.004 1 0 "[ ]" 3
222 1 12 DG H1' 1 12 DG H5'' 0.000 5.050 6.000 5.043 5.043 5.043 0.007 1 0 "[ ]" 3
223 2 1 DC H1' 2 1 DC H5'' 0.000 5.050 6.000 5.023 5.023 5.023 0.027 1 0 "[ ]" 3
224 2 2 DT H1' 2 2 DT H5'' 0.000 5.050 6.000 5.020 5.020 5.020 0.030 1 0 "[ ]" 3
225 2 3 DT H1' 2 3 DT H5'' 0.000 5.050 6.000 5.024 5.024 5.024 0.026 1 0 "[ ]" 3
226 2 4 DA H1' 2 4 DA H5'' 0.000 5.050 6.000 5.033 5.033 5.033 0.017 1 0 "[ ]" 3
227 2 5 DA H1' 2 5 DA H5'' 0.000 5.050 6.000 5.032 5.032 5.032 0.018 1 0 "[ ]" 3
228 2 6 DT H1' 2 6 DT H5'' 0.000 5.050 6.000 5.021 5.021 5.021 0.029 1 0 "[ ]" 3
229 2 7 DT H1' 2 7 DT H5'' 0.000 5.050 6.000 5.022 5.022 5.022 0.028 1 0 "[ ]" 3
230 2 8 DC H1' 2 8 DC H5'' 0.000 5.050 6.000 5.022 5.022 5.022 0.028 1 0 "[ ]" 3
231 2 9 DG H1' 2 9 DG H5'' 0.000 5.050 6.000 5.034 5.034 5.034 0.016 1 0 "[ ]" 3
232 2 10 DT H1' 2 10 DT H5'' 0.000 5.050 6.000 5.020 5.020 5.020 0.030 1 0 "[ ]" 3
233 2 11 DG H1' 2 11 DG H5'' 0.000 5.050 6.000 5.038 5.038 5.038 0.012 1 0 "[ ]" 3
234 2 12 DC H1' 2 12 DC H5'' 0.000 5.050 6.000 5.032 5.032 5.032 0.018 1 0 "[ ]" 3
235 1 1 DG H1' 1 1 DG H5' 0.000 4.550 5.000 4.673 4.673 4.673 . 0 0 "[ ]" 3
236 1 2 DC H1' 1 2 DC H5' 0.000 4.550 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 3
237 1 3 DA H1' 1 3 DA H5' 0.000 4.550 5.000 4.669 4.669 4.669 . 0 0 "[ ]" 3
238 1 4 DC H1' 1 4 DC H5' 0.000 4.550 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 3
239 1 5 DG H1' 1 5 DG H5' 0.000 4.550 5.000 4.731 4.731 4.731 . 0 0 "[ ]" 3
240 1 6 DA H1' 1 6 DA H5' 0.000 4.550 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 3
241 1 7 DA H1' 1 7 DA H5' 0.000 4.550 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 3
242 1 8 DT H1' 1 8 DT H5' 0.000 4.550 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 3
243 1 9 DT H1' 1 9 DT H5' 0.000 4.550 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 3
244 1 10 DA H1' 1 10 DA H5' 0.000 4.550 5.000 4.717 4.717 4.717 . 0 0 "[ ]" 3
245 1 11 DA H1' 1 11 DA H5' 0.000 4.550 5.000 4.723 4.723 4.723 . 0 0 "[ ]" 3
246 1 12 DG H1' 1 12 DG H5' 0.000 4.550 5.000 4.670 4.670 4.670 . 0 0 "[ ]" 3
247 2 1 DC H1' 2 1 DC H5' 0.000 4.550 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 3
248 2 2 DT H1' 2 2 DT H5' 0.000 4.550 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 3
249 2 3 DT H1' 2 3 DT H5' 0.000 4.550 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 3
250 2 4 DA H1' 2 4 DA H5' 0.000 4.550 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 3
251 2 5 DA H1' 2 5 DA H5' 0.000 4.550 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 3
252 2 6 DT H1' 2 6 DT H5' 0.000 4.550 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 3
253 2 7 DT H1' 2 7 DT H5' 0.000 4.550 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 3
254 2 8 DC H1' 2 8 DC H5' 0.000 4.550 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 3
255 2 9 DG H1' 2 9 DG H5' 0.000 4.550 5.000 4.683 4.683 4.683 . 0 0 "[ ]" 3
256 2 10 DT H1' 2 10 DT H5' 0.000 4.550 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 3
257 2 11 DG H1' 2 11 DG H5' 0.000 4.550 5.000 4.699 4.699 4.699 . 0 0 "[ ]" 3
258 2 12 DC H1' 2 12 DC H5' 0.000 4.550 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 3
259 1 1 DG H1' 1 2 DC H5'' 0.000 4.050 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 3
260 1 2 DC H1' 1 3 DA H5'' 0.000 4.050 5.000 4.237 4.237 4.237 . 0 0 "[ ]" 3
261 1 3 DA H1' 1 4 DC H5'' 0.000 4.050 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 3
262 1 4 DC H1' 1 5 DG H5'' 0.000 4.050 5.000 4.040 4.040 4.040 0.010 1 0 "[ ]" 3
263 1 5 DG H1' 1 6 DA H5'' 0.000 4.050 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 3
264 1 6 DA H1' 1 7 DA H5'' 0.000 4.050 5.000 4.625 4.625 4.625 . 0 0 "[ ]" 3
265 1 7 DA H1' 1 8 DT H5'' 0.000 4.050 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 3
266 1 8 DT H1' 1 9 DT H5'' 0.000 4.050 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 3
267 1 9 DT H1' 1 10 DA H5'' 0.000 4.050 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 3
268 1 10 DA H1' 1 11 DA H5'' 0.000 4.050 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 3
269 1 11 DA H1' 1 12 DG H5'' 0.000 4.050 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 3
270 2 1 DC H1' 2 2 DT H5'' 0.000 4.050 5.000 4.516 4.516 4.516 . 0 0 "[ ]" 3
271 2 2 DT H1' 2 3 DT H5'' 0.000 4.050 5.000 4.681 4.681 4.681 . 0 0 "[ ]" 3
272 2 3 DT H1' 2 4 DA H5'' 0.000 4.050 5.000 4.364 4.364 4.364 . 0 0 "[ ]" 3
273 2 4 DA H1' 2 5 DA H5'' 0.000 4.050 5.000 4.694 4.694 4.694 . 0 0 "[ ]" 3
274 2 5 DA H1' 2 6 DT H5'' 0.000 4.050 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 3
275 2 6 DT H1' 2 7 DT H5'' 0.000 4.050 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 3
276 2 7 DT H1' 2 8 DC H5'' 0.000 4.050 5.000 4.607 4.607 4.607 . 0 0 "[ ]" 3
277 2 8 DC H1' 2 9 DG H5'' 0.000 4.050 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 3
278 2 9 DG H1' 2 10 DT H5'' 0.000 4.050 5.000 4.506 4.506 4.506 . 0 0 "[ ]" 3
279 2 10 DT H1' 2 11 DG H5'' 0.000 4.050 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 3
280 2 11 DG H1' 2 12 DC H5'' 0.000 4.050 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 3
281 1 1 DG H1' 1 2 DC H5' 0.000 2.500 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 3
282 1 2 DC H1' 1 3 DA H5' 0.000 2.500 3.000 2.599 2.599 2.599 . 0 0 "[ ]" 3
283 1 3 DA H1' 1 4 DC H5' 0.000 2.500 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 3
284 1 4 DC H1' 1 5 DG H5' 0.000 2.500 3.000 2.495 2.495 2.495 0.005 1 0 "[ ]" 3
285 1 5 DG H1' 1 6 DA H5' 0.000 2.500 3.000 2.494 2.494 2.494 0.006 1 0 "[ ]" 3
286 1 6 DA H1' 1 7 DA H5' 0.000 2.500 3.000 2.959 2.959 2.959 . 0 0 "[ ]" 3
287 1 7 DA H1' 1 8 DT H5' 0.000 2.500 3.000 2.521 2.521 2.521 . 0 0 "[ ]" 3
288 1 8 DT H1' 1 9 DT H5' 0.000 2.500 3.000 2.944 2.944 2.944 . 0 0 "[ ]" 3
289 1 9 DT H1' 1 10 DA H5' 0.000 2.500 3.000 2.619 2.619 2.619 . 0 0 "[ ]" 3
290 1 10 DA H1' 1 11 DA H5' 0.000 2.500 3.000 2.651 2.651 2.651 . 0 0 "[ ]" 3
291 1 11 DA H1' 1 12 DG H5' 0.000 2.500 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 3
292 2 1 DC H1' 2 2 DT H5' 0.000 2.500 3.000 2.850 2.850 2.850 . 0 0 "[ ]" 3
293 2 2 DT H1' 2 3 DT H5' 0.000 2.500 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 3
294 2 3 DT H1' 2 4 DA H5' 0.000 2.500 3.000 2.664 2.664 2.664 . 0 0 "[ ]" 3
295 2 4 DA H1' 2 5 DA H5' 0.000 2.500 3.000 3.013 3.013 3.013 0.013 1 0 "[ ]" 3
296 2 5 DA H1' 2 6 DT H5' 0.000 2.500 3.000 2.904 2.904 2.904 . 0 0 "[ ]" 3
297 2 6 DT H1' 2 7 DT H5' 0.000 2.500 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 3
298 2 7 DT H1' 2 8 DC H5' 0.000 2.500 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 3
299 2 8 DC H1' 2 9 DG H5' 0.000 2.500 3.000 2.494 2.494 2.494 0.006 1 0 "[ ]" 3
300 2 9 DG H1' 2 10 DT H5' 0.000 2.500 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 3
301 2 10 DT H1' 2 11 DG H5' 0.000 2.500 3.000 2.666 2.666 2.666 . 0 0 "[ ]" 3
302 2 11 DG H1' 2 12 DC H5' 0.000 2.500 3.000 2.799 2.799 2.799 . 0 0 "[ ]" 3
303 1 6 DA H2 1 7 DA H2 0.000 3.400 3.800 3.804 3.804 3.804 0.004 1 0 "[ ]" 3
304 1 10 DA H2 1 11 DA H2 0.000 3.400 3.800 3.804 3.804 3.804 0.004 1 0 "[ ]" 3
305 2 4 DA H2 2 5 DA H2 0.000 3.400 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 3
306 1 1 DG H1' 1 2 DC H5 0.000 3.750 4.250 4.252 4.252 4.252 0.002 1 0 "[ ]" 3
307 1 3 DA H1' 1 4 DC H5 0.000 3.750 4.250 4.272 4.272 4.272 0.022 1 0 "[ ]" 3
308 2 7 DT H1' 2 8 DC H5 0.000 3.750 4.250 4.281 4.281 4.281 0.031 1 0 "[ ]" 3
309 2 11 DG H1' 2 12 DC H5 0.000 3.750 4.250 4.279 4.279 4.279 0.029 1 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 37
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.411
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0325
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_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 DG 0.006 0.006 1 0 "[ ]"
1 2 DC 0.005 0.005 1 0 "[ ]"
1 3 DA 0.008 0.007 1 0 "[ ]"
1 4 DC 0.030 0.018 1 0 "[ ]"
1 5 DG 0.000 0.000 . 0 "[ ]"
1 6 DA 0.000 0.000 . 0 "[ ]"
1 7 DA 0.035 0.035 1 0 "[ ]"
1 8 DT 0.034 0.033 1 0 "[ ]"
1 9 DT 0.015 0.015 1 0 "[ ]"
1 10 DA 0.056 0.056 1 0 "[ ]"
1 11 DA 0.204 0.189 1 0 "[ ]"
1 12 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.008 0.008 1 0 "[ ]"
2 2 DT 0.204 0.189 1 0 "[ ]"
2 3 DT 0.056 0.056 1 0 "[ ]"
2 4 DA 0.015 0.015 1 0 "[ ]"
2 5 DA 0.034 0.033 1 0 "[ ]"
2 6 DT 0.035 0.035 1 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 8 DC 0.009 0.009 1 0 "[ ]"
2 9 DG 0.018 0.018 1 0 "[ ]"
2 10 DT 0.001 0.001 1 0 "[ ]"
2 11 DG 0.000 0.000 . 0 "[ ]"
2 12 DC 0.014 0.008 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 DG O6 2 12 DC H41 0.000 . 2.100 2.106 2.106 2.106 0.006 1 0 "[ ]" 4
2 1 1 DG H1 2 12 DC N3 0.000 . 2.100 1.938 1.938 1.938 . 0 0 "[ ]" 4
3 1 1 DG H21 2 12 DC O2 0.000 . 2.100 2.069 2.069 2.069 . 0 0 "[ ]" 4
4 1 2 DC H41 2 11 DG O6 0.000 . 2.100 2.003 2.003 2.003 . 0 0 "[ ]" 4
5 1 2 DC N3 2 11 DG H1 0.000 . 2.100 2.048 2.048 2.048 . 0 0 "[ ]" 4
6 1 2 DC O2 2 11 DG H21 0.000 . 2.100 2.099 2.099 2.099 . 0 0 "[ ]" 4
7 1 3 DA H61 2 10 DT O4 0.000 . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 4
8 1 3 DA N1 2 10 DT H3 0.000 . 2.100 1.922 1.922 1.922 . 0 0 "[ ]" 4
9 1 4 DC H41 2 9 DG O6 0.000 . 2.100 2.118 2.118 2.118 0.018 1 0 "[ ]" 4
10 1 4 DC N3 2 9 DG H1 0.000 . 2.100 2.035 2.035 2.035 . 0 0 "[ ]" 4
11 1 4 DC O2 2 9 DG H21 0.000 . 2.100 1.949 1.949 1.949 . 0 0 "[ ]" 4
12 1 5 DG O6 2 8 DC H41 0.000 . 2.100 1.999 1.999 1.999 . 0 0 "[ ]" 4
13 1 5 DG H1 2 8 DC N3 0.000 . 2.100 1.953 1.953 1.953 . 0 0 "[ ]" 4
14 1 5 DG H21 2 8 DC O2 0.000 . 2.100 1.971 1.971 1.971 . 0 0 "[ ]" 4
15 1 6 DA H61 2 7 DT O4 0.000 . 2.100 1.927 1.927 1.927 . 0 0 "[ ]" 4
16 1 6 DA N1 2 7 DT H3 0.000 . 2.100 2.024 2.024 2.024 . 0 0 "[ ]" 4
17 1 7 DA H61 2 6 DT O4 0.000 . 2.100 1.991 1.991 1.991 . 0 0 "[ ]" 4
18 1 7 DA N1 2 6 DT H3 0.000 . 2.100 2.135 2.135 2.135 0.035 1 0 "[ ]" 4
19 1 8 DT O4 2 5 DA H61 0.000 . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 4
20 1 8 DT H3 2 5 DA N1 0.000 . 2.100 2.133 2.133 2.133 0.033 1 0 "[ ]" 4
21 1 9 DT O4 2 4 DA H61 0.000 . 2.100 2.115 2.115 2.115 0.015 1 0 "[ ]" 4
22 1 9 DT H3 2 4 DA N1 0.000 . 2.100 2.006 2.006 2.006 . 0 0 "[ ]" 4
23 1 10 DA H61 2 3 DT O4 0.000 . 2.100 1.983 1.983 1.983 . 0 0 "[ ]" 4
24 1 10 DA N1 2 3 DT H3 0.000 . 2.100 2.156 2.156 2.156 0.056 1 0 "[ ]" 4
25 1 11 DA H61 2 2 DT O4 0.000 . 2.100 2.289 2.289 2.289 0.189 1 0 "[ ]" 4
26 1 11 DA N1 2 2 DT H3 0.000 . 2.100 2.116 2.116 2.116 0.016 1 0 "[ ]" 4
27 1 12 DG O6 2 1 DC H41 0.000 . 2.100 2.057 2.057 2.057 . 0 0 "[ ]" 4
28 1 12 DG H1 2 1 DC N3 0.000 . 2.100 1.992 1.992 1.992 . 0 0 "[ ]" 4
29 1 2 DC H5 1 2 DC H6 0.000 2.460 2.480 2.455 2.455 2.455 0.005 1 0 "[ ]" 4
30 1 4 DC H5 1 4 DC H6 0.000 2.460 2.480 2.455 2.455 2.455 0.005 1 0 "[ ]" 4
31 2 1 DC H5 2 1 DC H6 0.000 2.460 2.480 2.452 2.452 2.452 0.008 1 0 "[ ]" 4
32 2 8 DC H5 2 8 DC H6 0.000 2.460 2.480 2.451 2.451 2.451 0.009 1 0 "[ ]" 4
33 2 12 DC H5 2 12 DC H6 0.000 2.460 2.480 2.452 2.452 2.452 0.008 1 0 "[ ]" 4
34 1 1 DG H8 1 2 DC H5 0.000 4.000 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 4
35 1 3 DA H8 1 4 DC H5 0.000 3.500 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 4
36 2 7 DT H6 2 8 DC H5 0.000 3.500 4.000 3.744 3.744 3.744 . 0 0 "[ ]" 4
37 2 11 DG H8 2 12 DC H5 0.000 4.000 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 4
stop_
save_
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