NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398816 |
1ttd   |
4415 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ttd
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 80
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 0.861
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.046 0.024 1 0 "[ ]"
1 2 DC 0.056 0.018 1 0 "[ ]"
1 3 DA 0.109 0.033 1 0 "[ ]"
1 4 DC 0.080 0.031 1 0 "[ ]"
1 5 DG 0.027 0.011 1 0 "[ ]"
1 6 DA 0.082 0.027 1 0 "[ ]"
1 7 DA 0.079 0.026 1 0 "[ ]"
1 8 DT 0.038 0.026 1 0 "[ ]"
1 9 DT 0.022 0.018 1 0 "[ ]"
1 10 DA 0.036 0.023 1 0 "[ ]"
1 11 DA 0.032 0.019 1 0 "[ ]"
1 12 DG 0.029 0.017 1 0 "[ ]"
2 1 DC 0.016 0.010 1 0 "[ ]"
2 2 DT 0.051 0.040 1 0 "[ ]"
2 3 DT 0.028 0.018 1 0 "[ ]"
2 4 DA 0.063 0.023 1 0 "[ ]"
2 5 DA 0.051 0.025 1 0 "[ ]"
2 6 DT 0.045 0.026 1 0 "[ ]"
2 7 DT 0.042 0.015 1 0 "[ ]"
2 8 DC 0.059 0.022 1 0 "[ ]"
2 9 DG 0.031 0.020 1 0 "[ ]"
2 10 DT 0.024 0.016 1 0 "[ ]"
2 11 DG 0.118 0.062 1 0 "[ ]"
2 12 DC 0.106 0.062 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DC H5 1 2 DC H6 0.000 2.460 2.480 2.457 2.457 2.457 0.003 1 0 "[ ]" 1
2 1 4 DC H5 1 4 DC H6 0.000 2.460 2.480 2.481 2.481 2.481 0.001 1 0 "[ ]" 1
3 2 1 DC H5 2 1 DC H6 0.000 2.460 2.480 2.457 2.457 2.457 0.003 1 0 "[ ]" 1
4 2 8 DC H5 2 8 DC H6 0.000 2.460 2.480 2.448 2.448 2.448 0.012 1 0 "[ ]" 1
5 2 12 DC H5 2 12 DC H6 0.000 2.460 2.480 2.445 2.445 2.445 0.015 1 0 "[ ]" 1
6 1 3 DA H8 1 4 DC H5 0.000 3.800 4.000 3.799 3.799 3.799 0.001 1 0 "[ ]" 1
7 2 7 DT H6 2 8 DC H5 0.000 3.600 3.800 3.802 3.802 3.802 0.002 1 0 "[ ]" 1
8 2 11 DG H8 2 12 DC H5 0.000 4.500 6.000 4.487 4.487 4.487 0.013 1 0 "[ ]" 1
9 1 1 DG H1' 1 2 DC H5 0.000 3.600 4.200 4.210 4.210 4.210 0.010 1 0 "[ ]" 1
10 1 3 DA H1' 1 4 DC H5 0.000 3.600 4.200 4.206 4.206 4.206 0.006 1 0 "[ ]" 1
11 2 7 DT H1' 2 8 DC H5 0.000 3.600 4.200 4.213 4.213 4.213 0.013 1 0 "[ ]" 1
12 2 11 DG H1' 2 12 DC H5 0.000 3.600 4.200 4.216 4.216 4.216 0.016 1 0 "[ ]" 1
13 1 2 DC H5 1 3 DA H2 0.000 5.500 6.500 6.518 6.518 6.518 0.018 1 0 "[ ]" 1
14 1 3 DA H1' 1 3 DA H2 0.000 4.300 4.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
15 1 6 DA H1' 1 6 DA H2 0.000 4.300 4.500 4.507 4.507 4.507 0.007 1 0 "[ ]" 1
16 1 7 DA H1' 1 7 DA H2 0.000 4.300 4.500 4.314 4.314 4.314 . 0 0 "[ ]" 1
17 1 10 DA H1' 1 10 DA H2 0.000 4.300 4.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
18 1 11 DA H1' 1 11 DA H2 0.000 4.300 4.500 4.396 4.396 4.396 . 0 0 "[ ]" 1
19 2 4 DA H1' 2 4 DA H2 0.000 4.300 4.500 4.422 4.422 4.422 . 0 0 "[ ]" 1
20 2 5 DA H1' 2 5 DA H2 0.000 4.300 4.500 4.417 4.417 4.417 . 0 0 "[ ]" 1
21 1 3 DA H2 1 4 DC H1' 0.000 3.800 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 1
22 1 6 DA H2 1 7 DA H1' 0.000 3.800 4.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
23 1 7 DA H2 1 8 DT H1' 0.000 4.400 4.600 4.612 4.612 4.612 0.012 1 0 "[ ]" 1
24 1 10 DA H2 1 11 DA H1' 0.000 3.800 4.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
25 1 11 DA H2 1 12 DG H1' 0.000 3.800 4.000 3.795 3.795 3.795 0.005 1 0 "[ ]" 1
26 2 4 DA H2 2 5 DA H1' 0.000 3.800 4.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
27 2 5 DA H2 2 6 DT H1' 0.000 3.600 3.800 3.593 3.593 3.593 0.007 1 0 "[ ]" 1
28 1 3 DA H2 2 11 DG H1' 0.000 4.000 4.200 4.201 4.201 4.201 0.001 1 0 "[ ]" 1
29 1 6 DA H2 2 8 DC H1' 0.000 3.800 4.000 4.022 4.022 4.022 0.022 1 0 "[ ]" 1
30 1 7 DA H2 2 7 DT H1' 0.000 3.700 3.900 3.694 3.694 3.694 0.006 1 0 "[ ]" 1
31 1 10 DA H2 2 4 DA H1' 0.000 4.800 5.000 4.792 4.792 4.792 0.008 1 0 "[ ]" 1
32 1 11 DA H2 2 3 DT H1' 0.000 4.500 4.700 4.524 4.524 4.524 . 0 0 "[ ]" 1
33 1 10 DA H1' 2 4 DA H2 0.000 4.500 4.700 4.540 4.540 4.540 . 0 0 "[ ]" 1
34 1 9 DT H1' 2 5 DA H2 0.000 4.500 4.700 4.573 4.573 4.573 . 0 0 "[ ]" 1
35 1 1 DG H1' 1 1 DG H8 0.000 2.600 3.700 3.724 3.724 3.724 0.024 1 0 "[ ]" 1
36 1 2 DC H1' 1 2 DC H6 0.000 3.500 3.700 3.703 3.703 3.703 0.003 1 0 "[ ]" 1
37 1 3 DA H1' 1 3 DA H8 0.000 3.300 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
38 1 4 DC H1' 1 4 DC H6 0.000 3.200 3.400 3.425 3.425 3.425 0.025 1 0 "[ ]" 1
39 1 5 DG H1' 1 5 DG H8 0.000 3.500 3.700 3.711 3.711 3.711 0.011 1 0 "[ ]" 1
40 1 6 DA H1' 1 6 DA H8 0.000 3.500 3.700 3.727 3.727 3.727 0.027 1 0 "[ ]" 1
41 1 7 DA H1' 1 7 DA H8 0.000 3.500 3.700 3.720 3.720 3.720 0.020 1 0 "[ ]" 1
42 1 8 DT H1' 1 8 DT H6 0.000 3.500 3.700 3.550 3.550 3.550 . 0 0 "[ ]" 1
43 1 9 DT H1' 1 9 DT H6 0.000 3.000 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1
44 1 10 DA H1' 1 10 DA H8 0.000 3.500 3.700 3.723 3.723 3.723 0.023 1 0 "[ ]" 1
45 1 11 DA H1' 1 11 DA H8 0.000 3.600 3.800 3.819 3.819 3.819 0.019 1 0 "[ ]" 1
46 1 12 DG H1' 1 12 DG H8 0.000 3.500 3.700 3.717 3.717 3.717 0.017 1 0 "[ ]" 1
47 2 1 DC H1' 2 1 DC H6 0.000 3.400 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1
48 2 2 DT H1' 2 2 DT H6 0.000 3.000 3.200 3.240 3.240 3.240 0.040 1 0 "[ ]" 1
49 2 3 DT H1' 2 3 DT H6 0.000 2.600 3.700 3.666 3.666 3.666 . 0 0 "[ ]" 1
50 2 4 DA H1' 2 4 DA H8 0.000 3.500 3.700 3.723 3.723 3.723 0.023 1 0 "[ ]" 1
51 2 5 DA H1' 2 5 DA H8 0.000 3.500 3.700 3.725 3.725 3.725 0.025 1 0 "[ ]" 1
52 2 6 DT H1' 2 6 DT H6 0.000 3.200 3.400 3.426 3.426 3.426 0.026 1 0 "[ ]" 1
53 2 7 DT H1' 2 7 DT H6 0.000 3.100 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 1
54 2 8 DC H1' 2 8 DC H6 0.000 3.500 3.700 3.676 3.676 3.676 . 0 0 "[ ]" 1
55 2 9 DG H1' 2 9 DG H8 0.000 3.500 3.700 3.720 3.720 3.720 0.020 1 0 "[ ]" 1
56 2 10 DT H1' 2 10 DT H6 0.000 3.200 3.400 3.416 3.416 3.416 0.016 1 0 "[ ]" 1
57 2 11 DG H1' 2 11 DG H8 0.000 3.500 3.700 3.717 3.717 3.717 0.017 1 0 "[ ]" 1
58 2 12 DC H1' 2 12 DC H6 0.000 3.500 3.700 3.644 3.644 3.644 . 0 0 "[ ]" 1
59 1 1 DG H1' 1 2 DC H6 0.000 3.400 3.700 3.387 3.387 3.387 0.013 1 0 "[ ]" 1
60 1 2 DC H1' 1 3 DA H8 0.000 3.500 3.700 3.709 3.709 3.709 0.009 1 0 "[ ]" 1
61 1 3 DA H1' 1 4 DC H6 0.000 3.600 3.800 3.569 3.569 3.569 0.031 1 0 "[ ]" 1
62 1 4 DC H1' 1 5 DG H8 0.000 3.700 3.900 3.905 3.905 3.905 0.005 1 0 "[ ]" 1
63 1 5 DG H1' 1 6 DA H8 0.000 3.600 3.800 3.589 3.589 3.589 0.011 1 0 "[ ]" 1
64 1 6 DA H1' 1 7 DA H8 0.000 3.400 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 1
65 1 7 DA H1' 1 8 DT H6 0.000 3.800 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
66 1 8 DT H1' 1 9 DT H6 0.000 3.800 4.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
67 1 9 DT H1' 1 10 DA H8 0.000 3.200 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
68 1 10 DA H1' 1 11 DA H8 0.000 3.600 3.900 3.599 3.599 3.599 0.001 1 0 "[ ]" 1
69 1 11 DA H1' 1 12 DG H8 0.000 3.500 3.700 3.493 3.493 3.493 0.007 1 0 "[ ]" 1
70 2 1 DC H1' 2 2 DT H6 0.000 3.700 4.000 4.003 4.003 4.003 0.003 1 0 "[ ]" 1
71 2 2 DT H1' 2 3 DT H6 0.000 3.400 3.700 3.709 3.709 3.709 0.009 1 0 "[ ]" 1
72 2 3 DT H1' 2 4 DA H8 0.000 3.600 3.900 3.582 3.582 3.582 0.018 1 0 "[ ]" 1
73 2 4 DA H1' 2 5 DA H8 0.000 3.800 4.000 3.786 3.786 3.786 0.014 1 0 "[ ]" 1
74 2 5 DA H1' 2 6 DT H6 0.000 3.800 4.000 3.795 3.795 3.795 0.005 1 0 "[ ]" 1
75 2 6 DT H1' 2 7 DT H6 0.000 3.600 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 1
76 2 7 DT H1' 2 8 DC H6 0.000 3.400 3.700 3.597 3.597 3.597 . 0 0 "[ ]" 1
77 2 8 DC H1' 2 9 DG H8 0.000 3.400 3.700 3.711 3.711 3.711 0.011 1 0 "[ ]" 1
78 2 9 DG H1' 2 10 DT H6 0.000 3.400 3.800 3.421 3.421 3.421 . 0 0 "[ ]" 1
79 2 10 DT H1' 2 11 DG H8 0.000 3.700 3.900 3.908 3.908 3.908 0.008 1 0 "[ ]" 1
80 2 11 DG H1' 2 12 DC H6 0.000 3.400 3.700 3.338 3.338 3.338 0.062 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 18
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 0.455
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0631
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.0414
_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 0.019 0.012 1 0 "[ ]"
1 8 DT 0.349 0.265 1 0 "[ ]"
1 9 DT 0.070 0.065 1 0 "[ ]"
2 1 DC 0.032 0.032 1 0 "[ ]"
2 2 DT 0.069 0.033 1 0 "[ ]"
2 3 DT 0.037 0.033 1 0 "[ ]"
2 5 DA 0.000 0.000 . 0 "[ ]"
2 6 DT 0.010 0.010 1 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 9 DG 0.020 0.020 1 0 "[ ]"
2 10 DT 0.023 0.020 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 4.200 4.600 4.188 4.188 4.188 0.012 1 0 "[ ]" 2
2 1 8 DT H6 1 9 DT C7 0.000 3.200 3.500 3.135 3.135 3.135 0.065 1 0 "[ ]" 2
3 2 1 DC H6 2 2 DT C7 0.000 3.400 3.700 3.732 3.732 3.732 0.032 1 0 "[ ]" 2
4 2 2 DT H6 2 3 DT C7 0.000 3.400 3.700 3.704 3.704 3.704 0.004 1 0 "[ ]" 2
5 2 5 DA H8 2 6 DT C7 0.000 4.200 4.600 4.248 4.248 4.248 . 0 0 "[ ]" 2
6 2 9 DG H8 2 10 DT C7 0.000 3.500 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 2
7 1 8 DT C7 1 8 DT H6 0.000 3.200 3.600 2.935 2.935 2.935 0.265 1 0 "[ ]" 2
8 1 9 DT C7 1 9 DT H6 0.000 2.600 2.800 2.596 2.596 2.596 0.004 1 0 "[ ]" 2
9 2 2 DT C7 2 2 DT H6 0.000 2.800 3.000 2.804 2.804 2.804 . 0 0 "[ ]" 2
10 2 3 DT C7 2 3 DT H6 0.000 2.500 2.800 2.659 2.659 2.659 . 0 0 "[ ]" 2
11 2 6 DT C7 2 6 DT H6 0.000 2.800 3.400 2.790 2.790 2.790 0.010 1 0 "[ ]" 2
12 2 7 DT C7 2 7 DT H6 0.000 2.800 3.400 2.824 2.824 2.824 . 0 0 "[ ]" 2
13 2 10 DT C7 2 10 DT H6 0.000 2.800 3.400 2.797 2.797 2.797 0.003 1 0 "[ ]" 2
14 1 8 DT C7 1 9 DT H6 0.000 4.000 4.500 4.083 4.083 4.083 . 0 0 "[ ]" 2
15 2 2 DT C7 2 3 DT C7 0.000 3.500 3.900 3.933 3.933 3.933 0.033 1 0 "[ ]" 2
16 1 7 DA H1' 1 8 DT C7 0.000 4.200 4.800 4.620 4.620 4.620 . 0 0 "[ ]" 2
17 1 7 DA H3' 1 8 DT C7 0.000 5.500 6.000 5.492 5.492 5.492 0.008 1 0 "[ ]" 2
18 2 5 DA H3' 2 6 DT C7 0.000 5.000 6.000 5.639 5.639 5.639 . 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 309
_Distance_constraint_stats_list.Viol_count 161
_Distance_constraint_stats_list.Viol_total 2.743
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0170
_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 0.088 0.061 1 0 "[ ]"
1 2 DC 0.150 0.040 1 0 "[ ]"
1 3 DA 0.113 0.065 1 0 "[ ]"
1 4 DC 0.068 0.031 1 0 "[ ]"
1 5 DG 0.099 0.070 1 0 "[ ]"
1 6 DA 0.160 0.058 1 0 "[ ]"
1 7 DA 0.359 0.137 1 0 "[ ]"
1 8 DT 0.483 0.137 1 0 "[ ]"
1 9 DT 0.261 0.038 1 0 "[ ]"
1 10 DA 0.116 0.068 1 0 "[ ]"
1 11 DA 0.087 0.053 1 0 "[ ]"
1 12 DG 0.063 0.035 1 0 "[ ]"
2 1 DC 0.108 0.034 1 0 "[ ]"
2 2 DT 0.081 0.023 1 0 "[ ]"
2 3 DT 0.182 0.070 1 0 "[ ]"
2 4 DA 0.114 0.053 1 0 "[ ]"
2 5 DA 0.122 0.053 1 0 "[ ]"
2 6 DT 0.123 0.029 1 0 "[ ]"
2 7 DT 0.114 0.025 1 0 "[ ]"
2 8 DC 0.105 0.022 1 0 "[ ]"
2 9 DG 0.071 0.045 1 0 "[ ]"
2 10 DT 0.040 0.019 1 0 "[ ]"
2 11 DG 0.212 0.051 1 0 "[ ]"
2 12 DC 0.174 0.051 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 2.450 2.750 2.573 2.573 2.573 . 0 0 "[ ]" 3
2 1 2 DC H2' 1 2 DC H6 0.000 2.250 2.450 2.241 2.241 2.241 0.009 1 0 "[ ]" 3
3 1 3 DA H2' 1 3 DA H8 0.000 2.550 2.750 2.715 2.715 2.715 . 0 0 "[ ]" 3
4 1 4 DC H2' 1 4 DC H6 0.000 2.450 2.750 2.444 2.444 2.444 0.006 1 0 "[ ]" 3
5 1 5 DG H2' 1 5 DG H8 0.000 2.250 2.550 2.457 2.457 2.457 . 0 0 "[ ]" 3
6 1 6 DA H2' 1 6 DA H8 0.000 2.650 2.850 2.685 2.685 2.685 . 0 0 "[ ]" 3
7 1 7 DA H2' 1 7 DA H8 0.000 2.650 2.850 2.797 2.797 2.797 . 0 0 "[ ]" 3
8 1 8 DT H2' 1 8 DT H6 0.000 2.350 2.650 2.349 2.349 2.349 0.001 1 0 "[ ]" 3
9 1 9 DT H2' 1 9 DT H6 0.000 . 2.200 2.133 2.133 2.133 . 0 0 "[ ]" 3
10 1 10 DA H2' 1 10 DA H8 0.000 2.550 2.850 2.581 2.581 2.581 . 0 0 "[ ]" 3
11 1 11 DA H2' 1 11 DA H8 0.000 2.650 2.850 2.647 2.647 2.647 0.003 1 0 "[ ]" 3
12 1 12 DG H2' 1 12 DG H8 0.000 2.250 2.450 2.417 2.417 2.417 . 0 0 "[ ]" 3
13 2 1 DC H2' 2 1 DC H6 0.000 2.650 2.850 2.636 2.636 2.636 0.014 1 0 "[ ]" 3
14 2 2 DT H2' 2 2 DT H6 0.000 2.450 2.750 2.432 2.432 2.432 0.018 1 0 "[ ]" 3
15 2 3 DT H2' 2 3 DT H6 0.000 2.450 2.750 2.416 2.416 2.416 0.034 1 0 "[ ]" 3
16 2 4 DA H2' 2 4 DA H8 0.000 2.650 2.850 2.851 2.851 2.851 0.001 1 0 "[ ]" 3
17 2 5 DA H2' 2 5 DA H8 0.000 2.450 2.650 2.606 2.606 2.606 . 0 0 "[ ]" 3
18 2 6 DT H2' 2 6 DT H6 0.000 2.650 2.950 2.628 2.628 2.628 0.022 1 0 "[ ]" 3
19 2 7 DT H2' 2 7 DT H6 0.000 2.550 2.850 2.525 2.525 2.525 0.025 1 0 "[ ]" 3
20 2 8 DC H2' 2 8 DC H6 0.000 2.550 2.850 2.529 2.529 2.529 0.021 1 0 "[ ]" 3
21 2 9 DG H2' 2 9 DG H8 0.000 2.650 2.850 2.649 2.649 2.649 0.001 1 0 "[ ]" 3
22 2 10 DT H2' 2 10 DT H6 0.000 2.350 2.650 2.494 2.494 2.494 . 0 0 "[ ]" 3
23 2 11 DG H2' 2 11 DG H8 0.000 2.650 2.850 2.639 2.639 2.639 0.011 1 0 "[ ]" 3
24 2 12 DC H2' 2 12 DC H6 0.000 2.550 2.850 2.538 2.538 2.538 0.012 1 0 "[ ]" 3
25 1 1 DG H2' 1 2 DC H6 0.000 4.150 4.450 4.408 4.408 4.408 . 0 0 "[ ]" 3
26 1 2 DC H2' 1 3 DA H8 0.000 4.250 4.450 4.364 4.364 4.364 . 0 0 "[ ]" 3
27 1 3 DA H2' 1 4 DC H6 0.000 4.050 4.450 4.049 4.049 4.049 0.001 1 0 "[ ]" 3
28 1 4 DC H2' 1 5 DG H8 0.000 3.850 4.250 4.218 4.218 4.218 . 0 0 "[ ]" 3
29 1 5 DG H2' 1 6 DA H8 0.000 3.850 4.250 4.252 4.252 4.252 0.002 1 0 "[ ]" 3
30 1 6 DA H2' 1 7 DA H8 0.000 4.150 4.350 4.356 4.356 4.356 0.006 1 0 "[ ]" 3
31 1 7 DA H2' 1 8 DT H6 0.000 4.050 4.450 4.104 4.104 4.104 . 0 0 "[ ]" 3
32 1 8 DT H2' 1 9 DT H6 0.000 3.350 3.550 3.326 3.326 3.326 0.024 1 0 "[ ]" 3
33 1 9 DT H2' 1 10 DA H8 0.000 4.750 4.950 4.933 4.933 4.933 . 0 0 "[ ]" 3
34 1 10 DA H2' 1 11 DA H8 0.000 3.950 4.250 4.252 4.252 4.252 0.002 1 0 "[ ]" 3
35 1 11 DA H2' 1 12 DG H8 0.000 3.850 4.050 4.002 4.002 4.002 . 0 0 "[ ]" 3
36 2 1 DC H2' 2 2 DT H6 0.000 3.850 4.050 3.842 3.842 3.842 0.008 1 0 "[ ]" 3
37 2 2 DT H2' 2 3 DT H6 0.000 4.050 4.450 4.046 4.046 4.046 0.004 1 0 "[ ]" 3
38 2 3 DT H2' 2 4 DA H8 0.000 3.850 4.250 4.254 4.254 4.254 0.004 1 0 "[ ]" 3
39 2 4 DA H2' 2 5 DA H8 0.000 3.950 4.150 4.162 4.162 4.162 0.012 1 0 "[ ]" 3
40 2 5 DA H2' 2 6 DT H6 0.000 4.050 4.450 4.408 4.408 4.408 . 0 0 "[ ]" 3
41 2 6 DT H2' 2 7 DT H6 0.000 3.850 4.050 4.050 4.050 4.050 . 1 0 "[ ]" 3
42 2 7 DT H2' 2 8 DC H6 0.000 3.450 3.750 3.758 3.758 3.758 0.008 1 0 "[ ]" 3
43 2 8 DC H2' 2 9 DG H8 0.000 3.850 4.250 4.031 4.031 4.031 . 0 0 "[ ]" 3
44 2 9 DG H2' 2 10 DT H6 0.000 4.050 4.450 4.447 4.447 4.447 . 0 0 "[ ]" 3
45 2 10 DT H2' 2 11 DG H8 0.000 3.950 4.150 4.158 4.158 4.158 0.008 1 0 "[ ]" 3
46 2 11 DG H2' 2 12 DC H6 0.000 3.850 4.050 4.101 4.101 4.101 0.051 1 0 "[ ]" 3
47 1 1 DG H2'' 1 1 DG H8 0.000 3.800 4.200 3.799 3.799 3.799 0.001 1 0 "[ ]" 3
48 1 2 DC H2'' 1 2 DC H6 0.000 3.400 3.600 3.490 3.490 3.490 . 0 0 "[ ]" 3
49 1 3 DA H2'' 1 3 DA H8 0.000 3.900 4.200 3.895 3.895 3.895 0.005 1 0 "[ ]" 3
50 1 4 DC H2'' 1 4 DC H6 0.000 3.600 4.000 3.688 3.688 3.688 . 0 0 "[ ]" 3
51 1 5 DG H2'' 1 5 DG H8 0.000 3.400 3.600 3.605 3.605 3.605 0.005 1 0 "[ ]" 3
52 1 6 DA H2'' 1 6 DA H8 0.000 3.900 4.200 3.895 3.895 3.895 0.005 1 0 "[ ]" 3
53 1 7 DA H2'' 1 7 DA H8 0.000 3.900 4.200 4.037 4.037 4.037 . 0 0 "[ ]" 3
54 1 8 DT H2'' 1 8 DT H6 0.000 3.200 3.500 3.170 3.170 3.170 0.030 1 0 "[ ]" 3
55 1 9 DT H2'' 1 9 DT H6 0.000 2.600 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 3
56 1 10 DA H2'' 1 10 DA H8 0.000 3.800 4.200 3.801 3.801 3.801 . 0 0 "[ ]" 3
57 1 11 DA H2'' 1 11 DA H8 0.000 3.800 4.200 3.814 3.814 3.814 . 0 0 "[ ]" 3
58 1 12 DG H2'' 1 12 DG H8 0.000 3.600 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 3
59 2 1 DC H2'' 2 1 DC H6 0.000 3.600 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 3
60 2 2 DT H2'' 2 2 DT H6 0.000 3.400 3.600 3.400 3.400 3.400 . 1 0 "[ ]" 3
61 2 3 DT H2'' 2 3 DT H6 0.000 2.800 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 3
62 2 4 DA H2'' 2 4 DA H8 0.000 3.900 4.100 4.092 4.092 4.092 . 0 0 "[ ]" 3
63 2 5 DA H2'' 2 5 DA H8 0.000 3.800 4.200 3.800 3.800 3.800 0.000 1 0 "[ ]" 3
64 2 6 DT H2'' 2 6 DT H6 0.000 3.400 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 3
65 2 7 DT H2'' 2 7 DT H6 0.000 3.200 3.400 3.415 3.415 3.415 0.015 1 0 "[ ]" 3
66 2 8 DC H2'' 2 8 DC H6 0.000 3.400 3.600 3.614 3.614 3.614 0.014 1 0 "[ ]" 3
67 2 9 DG H2'' 2 9 DG H8 0.000 3.800 4.200 3.800 3.800 3.800 . 0 0 "[ ]" 3
68 2 10 DT H2'' 2 10 DT H6 0.000 3.500 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 3
69 2 11 DG H2'' 2 11 DG H8 0.000 3.400 3.600 3.621 3.621 3.621 0.021 1 0 "[ ]" 3
70 2 12 DC H2'' 2 12 DC H6 0.000 3.600 3.800 3.815 3.815 3.815 0.015 1 0 "[ ]" 3
71 1 1 DG H2'' 1 2 DC H6 0.000 2.700 3.000 2.789 2.789 2.789 . 0 0 "[ ]" 3
72 1 2 DC H2'' 1 3 DA H8 0.000 3.000 3.200 2.992 2.992 2.992 0.008 1 0 "[ ]" 3
73 1 3 DA H2'' 1 4 DC H6 0.000 2.600 3.000 2.598 2.598 2.598 0.002 1 0 "[ ]" 3
74 1 4 DC H2'' 1 5 DG H8 0.000 3.000 3.200 2.992 2.992 2.992 0.008 1 0 "[ ]" 3
75 1 5 DG H2'' 1 6 DA H8 0.000 3.000 3.200 3.021 3.021 3.021 . 0 0 "[ ]" 3
76 1 6 DA H2'' 1 7 DA H8 0.000 2.800 3.000 2.788 2.788 2.788 0.012 1 0 "[ ]" 3
77 1 7 DA H2'' 1 8 DT H6 0.000 2.150 2.550 2.564 2.564 2.564 0.014 1 0 "[ ]" 3
78 1 8 DT H2'' 1 9 DT H6 0.000 2.450 2.750 2.777 2.777 2.777 0.027 1 0 "[ ]" 3
79 1 9 DT H2'' 1 10 DA H8 0.000 3.000 3.200 3.182 3.182 3.182 . 0 0 "[ ]" 3
80 1 10 DA H2'' 1 11 DA H8 0.000 2.500 2.900 2.717 2.717 2.717 . 0 0 "[ ]" 3
81 1 11 DA H2'' 1 12 DG H8 0.000 2.500 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 3
82 2 1 DC H2'' 2 2 DT H6 0.000 2.600 3.000 2.600 2.600 2.600 . 0 0 "[ ]" 3
83 2 2 DT H2'' 2 3 DT H6 0.000 2.600 2.800 2.782 2.782 2.782 . 0 0 "[ ]" 3
84 2 3 DT H2'' 2 4 DA H8 0.000 2.600 2.900 2.642 2.642 2.642 . 0 0 "[ ]" 3
85 2 4 DA H2'' 2 5 DA H8 0.000 2.800 3.000 2.787 2.787 2.787 0.013 1 0 "[ ]" 3
86 2 5 DA H2'' 2 6 DT H6 0.000 2.500 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 3
87 2 6 DT H2'' 2 7 DT H6 0.000 2.800 3.000 2.798 2.798 2.798 0.002 1 0 "[ ]" 3
88 2 7 DT H2'' 2 8 DC H6 0.000 2.800 3.000 2.784 2.784 2.784 0.016 1 0 "[ ]" 3
89 2 8 DC H2'' 2 9 DG H8 0.000 2.800 3.000 2.794 2.794 2.794 0.006 1 0 "[ ]" 3
90 2 9 DG H2'' 2 10 DT H6 0.000 2.800 3.000 2.897 2.897 2.897 . 0 0 "[ ]" 3
91 2 10 DT H2'' 2 11 DG H8 0.000 3.000 3.200 2.991 2.991 2.991 0.009 1 0 "[ ]" 3
92 2 11 DG H2'' 2 12 DC H6 0.000 3.000 3.200 2.958 2.958 2.958 0.042 1 0 "[ ]" 3
93 1 8 DT H6 1 9 DT H2' 0.000 3.800 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 3
94 1 1 DG H3' 1 1 DG H8 0.000 4.950 5.350 4.889 4.889 4.889 0.061 1 0 "[ ]" 3
95 1 2 DC H3' 1 2 DC H6 0.000 3.850 4.250 4.285 4.285 4.285 0.035 1 0 "[ ]" 3
96 1 3 DA H3' 1 3 DA H8 0.000 4.950 5.350 4.885 4.885 4.885 0.065 1 0 "[ ]" 3
97 1 4 DC H3' 1 4 DC H6 0.000 3.850 4.250 4.235 4.235 4.235 . 0 0 "[ ]" 3
98 1 5 DG H3' 1 5 DG H8 0.000 4.950 5.350 4.880 4.880 4.880 0.070 1 0 "[ ]" 3
99 1 6 DA H3' 1 6 DA H8 0.000 4.950 5.350 4.892 4.892 4.892 0.058 1 0 "[ ]" 3
100 1 7 DA H3' 1 7 DA H8 0.000 4.950 5.350 4.895 4.895 4.895 0.055 1 0 "[ ]" 3
101 1 8 DT H3' 1 8 DT H6 0.000 3.650 4.750 4.407 4.407 4.407 . 0 0 "[ ]" 3
102 1 9 DT H3' 1 9 DT H6 0.000 3.650 4.750 4.456 4.456 4.456 . 0 0 "[ ]" 3
103 1 10 DA H3' 1 10 DA H8 0.000 4.950 5.350 4.882 4.882 4.882 0.068 1 0 "[ ]" 3
104 1 11 DA H3' 1 11 DA H8 0.000 4.950 5.350 4.897 4.897 4.897 0.053 1 0 "[ ]" 3
105 1 12 DG H3' 1 12 DG H8 0.000 4.150 4.450 4.224 4.224 4.224 . 0 0 "[ ]" 3
106 2 1 DC H3' 2 1 DC H6 0.000 3.850 4.250 4.280 4.280 4.280 0.030 1 0 "[ ]" 3
107 2 2 DT H3' 2 2 DT H6 0.000 3.850 4.250 4.255 4.255 4.255 0.005 1 0 "[ ]" 3
108 2 3 DT H3' 2 3 DT H6 0.000 3.850 4.250 4.320 4.320 4.320 0.070 1 0 "[ ]" 3
109 2 4 DA H3' 2 4 DA H8 0.000 4.950 5.350 4.897 4.897 4.897 0.053 1 0 "[ ]" 3
110 2 5 DA H3' 2 5 DA H8 0.000 4.950 5.350 4.897 4.897 4.897 0.053 1 0 "[ ]" 3
111 2 6 DT H3' 2 6 DT H6 0.000 3.850 4.250 4.220 4.220 4.220 . 0 0 "[ ]" 3
112 2 7 DT H3' 2 7 DT H6 0.000 3.650 3.950 3.959 3.959 3.959 0.009 1 0 "[ ]" 3
113 2 8 DC H3' 2 8 DC H6 0.000 3.850 4.250 4.261 4.261 4.261 0.011 1 0 "[ ]" 3
114 2 9 DG H3' 2 9 DG H8 0.000 4.950 5.350 4.905 4.905 4.905 0.045 1 0 "[ ]" 3
115 2 10 DT H3' 2 10 DT H6 0.000 3.850 4.250 4.192 4.192 4.192 . 0 0 "[ ]" 3
116 2 11 DG H3' 2 11 DG H8 0.000 4.950 5.350 4.903 4.903 4.903 0.047 1 0 "[ ]" 3
117 2 12 DC H3' 2 12 DC H6 0.000 3.850 4.250 3.835 3.835 3.835 0.015 1 0 "[ ]" 3
118 1 1 DG H3' 1 2 DC H6 0.000 4.950 6.050 5.332 5.332 5.332 . 0 0 "[ ]" 3
119 1 2 DC H3' 1 3 DA H8 0.000 4.950 6.050 5.601 5.601 5.601 . 0 0 "[ ]" 3
120 1 3 DA H3' 1 4 DC H6 0.000 4.950 6.050 5.318 5.318 5.318 . 0 0 "[ ]" 3
121 1 4 DC H3' 1 5 DG H8 0.000 4.950 6.050 5.716 5.716 5.716 . 0 0 "[ ]" 3
122 1 5 DG H3' 1 6 DA H8 0.000 4.950 6.050 5.813 5.813 5.813 . 0 0 "[ ]" 3
123 1 6 DA H3' 1 7 DA H8 0.000 4.950 6.050 5.352 5.352 5.352 . 0 0 "[ ]" 3
124 1 7 DA H3' 1 8 DT H6 0.000 4.950 6.050 5.163 5.163 5.163 . 0 0 "[ ]" 3
125 1 8 DT H3' 1 9 DT H6 0.000 4.950 6.050 5.205 5.205 5.205 . 0 0 "[ ]" 3
126 1 9 DT H3' 1 10 DA H8 0.000 4.950 6.050 4.930 4.930 4.930 0.020 1 0 "[ ]" 3
127 1 10 DA H3' 1 11 DA H8 0.000 4.950 6.050 5.371 5.371 5.371 . 0 0 "[ ]" 3
128 1 11 DA H3' 1 12 DG H8 0.000 4.950 6.050 5.512 5.512 5.512 . 0 0 "[ ]" 3
129 2 1 DC H3' 2 2 DT H6 0.000 4.050 6.050 5.313 5.313 5.313 . 0 0 "[ ]" 3
130 2 2 DT H3' 2 3 DT H6 0.000 4.950 6.050 5.558 5.558 5.558 . 0 0 "[ ]" 3
131 2 3 DT H3' 2 4 DA H8 0.000 4.950 6.050 5.337 5.337 5.337 . 0 0 "[ ]" 3
132 2 4 DA H3' 2 5 DA H8 0.000 4.950 6.050 5.400 5.400 5.400 . 0 0 "[ ]" 3
133 2 5 DA H3' 2 6 DT H6 0.000 4.950 6.050 5.369 5.369 5.369 . 0 0 "[ ]" 3
134 2 6 DT H3' 2 7 DT H6 0.000 4.950 6.050 5.620 5.620 5.620 . 0 0 "[ ]" 3
135 2 7 DT H3' 2 8 DC H6 0.000 4.950 6.050 5.537 5.537 5.537 . 0 0 "[ ]" 3
136 2 8 DC H3' 2 9 DG H8 0.000 4.950 6.050 5.575 5.575 5.575 . 0 0 "[ ]" 3
137 2 9 DG H3' 2 10 DT H6 0.000 4.950 6.050 5.523 5.523 5.523 . 0 0 "[ ]" 3
138 2 10 DT H3' 2 11 DG H8 0.000 4.950 6.050 5.656 5.656 5.656 . 0 0 "[ ]" 3
139 2 11 DG H3' 2 12 DC H6 0.000 4.950 6.050 4.979 4.979 4.979 . 0 0 "[ ]" 3
140 1 1 DG H1' 1 1 DG H3' 0.000 3.800 4.200 3.798 3.798 3.798 0.002 1 0 "[ ]" 3
141 1 2 DC H1' 1 2 DC H3' 0.000 3.800 4.200 3.760 3.760 3.760 0.040 1 0 "[ ]" 3
142 1 3 DA H1' 1 3 DA H3' 0.000 3.800 4.000 3.888 3.888 3.888 . 0 0 "[ ]" 3
143 1 4 DC H1' 1 4 DC H3' 0.000 3.800 4.200 3.797 3.797 3.797 0.003 1 0 "[ ]" 3
144 1 5 DG H1' 1 5 DG H3' 0.000 3.800 4.200 3.818 3.818 3.818 . 0 0 "[ ]" 3
145 1 6 DA H1' 1 6 DA H3' 0.000 3.800 4.200 3.834 3.834 3.834 . 0 0 "[ ]" 3
146 1 7 DA H1' 1 7 DA H3' 0.000 3.500 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 3
147 1 8 DT H1' 1 8 DT H3' 0.000 3.600 4.000 3.597 3.597 3.597 0.003 1 0 "[ ]" 3
148 1 9 DT H1' 1 9 DT H3' 0.000 3.600 4.000 3.565 3.565 3.565 0.035 1 0 "[ ]" 3
149 1 10 DA H1' 1 10 DA H3' 0.000 3.800 4.200 3.840 3.840 3.840 . 0 0 "[ ]" 3
150 1 11 DA H1' 1 11 DA H3' 0.000 3.800 4.200 3.820 3.820 3.820 . 0 0 "[ ]" 3
151 1 12 DG H1' 1 12 DG H3' 0.000 3.800 4.200 3.861 3.861 3.861 . 0 0 "[ ]" 3
152 2 1 DC H1' 2 1 DC H3' 0.000 3.800 4.200 3.792 3.792 3.792 0.008 1 0 "[ ]" 3
153 2 2 DT H1' 2 2 DT H3' 0.000 3.800 4.200 3.777 3.777 3.777 0.023 1 0 "[ ]" 3
154 2 3 DT H1' 2 3 DT H3' 0.000 3.800 4.200 3.772 3.772 3.772 0.028 1 0 "[ ]" 3
155 2 4 DA H1' 2 4 DA H3' 0.000 3.800 4.200 3.905 3.905 3.905 . 0 0 "[ ]" 3
156 2 5 DA H1' 2 5 DA H3' 0.000 3.800 4.200 3.835 3.835 3.835 . 0 0 "[ ]" 3
157 2 6 DT H1' 2 6 DT H3' 0.000 3.800 4.200 3.783 3.783 3.783 0.017 1 0 "[ ]" 3
158 2 7 DT H1' 2 7 DT H3' 0.000 3.800 4.200 3.800 3.800 3.800 . 0 0 "[ ]" 3
159 2 8 DC H1' 2 8 DC H3' 0.000 3.800 4.200 3.814 3.814 3.814 . 0 0 "[ ]" 3
160 2 9 DG H1' 2 9 DG H3' 0.000 3.800 4.200 3.807 3.807 3.807 . 0 0 "[ ]" 3
161 2 10 DT H1' 2 10 DT H3' 0.000 3.800 4.200 3.848 3.848 3.848 . 0 0 "[ ]" 3
162 2 11 DG H1' 2 11 DG H3' 0.000 3.800 4.200 3.874 3.874 3.874 . 0 0 "[ ]" 3
163 2 12 DC H1' 2 12 DC H3' 0.000 3.800 4.000 3.916 3.916 3.916 . 0 0 "[ ]" 3
164 1 1 DG H2'' 1 1 DG H3' 0.000 2.500 3.000 2.768 2.768 2.768 . 0 0 "[ ]" 3
165 1 2 DC H2'' 1 2 DC H3' 0.000 2.500 3.000 2.635 2.635 2.635 . 0 0 "[ ]" 3
166 1 3 DA H2'' 1 3 DA H3' 0.000 2.500 3.000 2.773 2.773 2.773 . 0 0 "[ ]" 3
167 1 4 DC H2'' 1 4 DC H3' 0.000 2.500 3.000 2.729 2.729 2.729 . 0 0 "[ ]" 3
168 1 5 DG H2'' 1 5 DG H3' 0.000 2.500 3.000 2.805 2.805 2.805 . 0 0 "[ ]" 3
169 1 6 DA H2'' 1 6 DA H3' 0.000 2.500 3.000 2.753 2.753 2.753 . 0 0 "[ ]" 3
170 1 7 DA H2'' 1 7 DA H3' 0.000 2.500 3.000 2.845 2.845 2.845 . 0 0 "[ ]" 3
171 1 8 DT H2'' 1 8 DT H3' 0.000 2.500 3.000 2.759 2.759 2.759 . 0 0 "[ ]" 3
172 1 9 DT H2'' 1 9 DT H3' 0.000 2.500 3.000 2.778 2.778 2.778 . 0 0 "[ ]" 3
173 1 10 DA H2'' 1 10 DA H3' 0.000 2.500 3.000 2.795 2.795 2.795 . 0 0 "[ ]" 3
174 1 11 DA H2'' 1 11 DA H3' 0.000 2.500 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 3
175 1 12 DG H2'' 1 12 DG H3' 0.000 2.500 3.000 2.797 2.797 2.797 . 0 0 "[ ]" 3
176 2 1 DC H2'' 2 1 DC H3' 0.000 2.500 3.000 2.779 2.779 2.779 . 0 0 "[ ]" 3
177 2 2 DT H2'' 2 2 DT H3' 0.000 2.500 3.000 2.792 2.792 2.792 . 0 0 "[ ]" 3
178 2 3 DT H2'' 2 3 DT H3' 0.000 2.500 3.000 2.781 2.781 2.781 . 0 0 "[ ]" 3
179 2 4 DA H2'' 2 4 DA H3' 0.000 2.500 3.000 2.744 2.744 2.744 . 0 0 "[ ]" 3
180 2 5 DA H2'' 2 5 DA H3' 0.000 2.500 3.000 2.776 2.776 2.776 . 0 0 "[ ]" 3
181 2 6 DT H2'' 2 6 DT H3' 0.000 2.500 3.000 2.845 2.845 2.845 . 0 0 "[ ]" 3
182 2 7 DT H2'' 2 7 DT H3' 0.000 2.500 3.000 2.813 2.813 2.813 . 0 0 "[ ]" 3
183 2 8 DC H2'' 2 8 DC H3' 0.000 2.500 3.000 2.787 2.787 2.787 . 0 0 "[ ]" 3
184 2 9 DG H2'' 2 9 DG H3' 0.000 2.500 3.000 2.766 2.766 2.766 . 0 0 "[ ]" 3
185 2 10 DT H2'' 2 10 DT H3' 0.000 2.500 3.000 2.685 2.685 2.685 . 0 0 "[ ]" 3
186 2 11 DG H2'' 2 11 DG H3' 0.000 2.500 3.000 2.642 2.642 2.642 . 0 0 "[ ]" 3
187 2 12 DC H2'' 2 12 DC H3' 0.000 2.500 3.000 2.848 2.848 2.848 . 0 0 "[ ]" 3
188 1 1 DG H1' 1 1 DG H4' 0.000 3.200 3.600 3.359 3.359 3.359 . 0 0 "[ ]" 3
189 1 2 DC H1' 1 2 DC H4' 0.000 2.600 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 3
190 1 3 DA H1' 1 3 DA H4' 0.000 3.200 3.500 3.191 3.191 3.191 0.009 1 0 "[ ]" 3
191 1 4 DC H1' 1 4 DC H4' 0.000 2.600 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 3
192 1 5 DG H1' 1 5 DG H4' 0.000 3.500 3.800 3.487 3.487 3.487 0.013 1 0 "[ ]" 3
193 1 6 DA H1' 1 6 DA H4' 0.000 2.400 2.600 2.615 2.615 2.615 0.015 1 0 "[ ]" 3
194 1 7 DA H1' 1 7 DA H4' 0.000 3.300 3.500 3.295 3.295 3.295 0.005 1 0 "[ ]" 3
195 1 8 DT H1' 1 8 DT H4' 0.000 2.900 3.200 2.898 2.898 2.898 0.002 1 0 "[ ]" 3
196 1 9 DT H1' 1 9 DT H4' 0.000 2.700 3.000 2.681 2.681 2.681 0.019 1 0 "[ ]" 3
197 1 10 DA H1' 1 10 DA H4' 0.000 3.400 3.800 3.393 3.393 3.393 0.007 1 0 "[ ]" 3
198 1 11 DA H1' 1 11 DA H4' 0.000 3.200 3.500 3.209 3.209 3.209 . 0 0 "[ ]" 3
199 1 12 DG H1' 1 12 DG H4' 0.000 2.400 2.600 2.612 2.612 2.612 0.012 1 0 "[ ]" 3
200 2 1 DC H1' 2 1 DC H4' 0.000 2.500 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 3
201 2 2 DT H1' 2 2 DT H4' 0.000 2.800 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 3
202 2 3 DT H1' 2 3 DT H4' 0.000 3.200 3.500 3.191 3.191 3.191 0.009 1 0 "[ ]" 3
203 2 4 DA H1' 2 4 DA H4' 0.000 3.400 3.700 3.385 3.385 3.385 0.015 1 0 "[ ]" 3
204 2 5 DA H1' 2 5 DA H4' 0.000 3.400 3.700 3.390 3.390 3.390 0.010 1 0 "[ ]" 3
205 2 6 DT H1' 2 6 DT H4' 0.000 2.500 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 3
206 2 7 DT H1' 2 7 DT H4' 0.000 2.800 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 3
207 2 8 DC H1' 2 8 DC H4' 0.000 2.800 3.000 2.917 2.917 2.917 . 0 0 "[ ]" 3
208 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
209 2 10 DT H1' 2 10 DT H4' 0.000 2.800 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 3
210 2 11 DG H1' 2 11 DG H4' 0.000 3.200 3.500 3.195 3.195 3.195 0.005 1 0 "[ ]" 3
211 2 12 DC H1' 2 12 DC H4' 0.000 2.600 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 3
212 1 8 DT H1' 1 9 DT H4' 0.000 3.000 3.400 3.433 3.433 3.433 0.033 1 0 "[ ]" 3
213 1 4 DC H1' 1 5 DG H4' 0.000 5.000 6.000 5.010 5.010 5.010 . 0 0 "[ ]" 3
214 1 1 DG H1' 1 1 DG H5'' 0.000 5.050 6.000 5.039 5.039 5.039 0.011 1 0 "[ ]" 3
215 1 2 DC H1' 1 2 DC H5'' 0.000 5.050 6.000 5.024 5.024 5.024 0.026 1 0 "[ ]" 3
216 1 3 DA H1' 1 3 DA H5'' 0.000 5.050 6.000 5.037 5.037 5.037 0.013 1 0 "[ ]" 3
217 1 4 DC H1' 1 4 DC H5'' 0.000 5.050 6.000 5.019 5.019 5.019 0.031 1 0 "[ ]" 3
218 1 5 DG H1' 1 5 DG H5'' 0.000 5.050 6.000 5.049 5.049 5.049 0.001 1 0 "[ ]" 3
219 1 6 DA H1' 1 6 DA H5'' 0.000 5.050 6.000 5.012 5.012 5.012 0.038 1 0 "[ ]" 3
220 1 7 DA H1' 1 7 DA H5'' 0.000 5.000 6.000 4.992 4.992 4.992 0.008 1 0 "[ ]" 3
221 1 8 DT H1' 1 8 DT H5'' 0.000 4.250 4.450 4.496 4.496 4.496 0.046 1 0 "[ ]" 3
222 1 9 DT H1' 1 9 DT H5'' 0.000 4.250 4.550 4.553 4.553 4.553 0.003 1 0 "[ ]" 3
223 1 10 DA H1' 1 10 DA H5'' 0.000 5.050 6.000 5.047 5.047 5.047 0.003 1 0 "[ ]" 3
224 1 11 DA H1' 1 11 DA H5'' 0.000 5.050 6.000 5.033 5.033 5.033 0.017 1 0 "[ ]" 3
225 1 12 DG H1' 1 12 DG H5'' 0.000 5.050 6.000 5.015 5.015 5.015 0.035 1 0 "[ ]" 3
226 2 1 DC H1' 2 1 DC H5'' 0.000 5.050 6.000 5.016 5.016 5.016 0.034 1 0 "[ ]" 3
227 2 2 DT H1' 2 2 DT H5'' 0.000 5.050 6.000 5.029 5.029 5.029 0.021 1 0 "[ ]" 3
228 2 3 DT H1' 2 3 DT H5'' 0.000 5.050 6.000 5.036 5.036 5.036 0.014 1 0 "[ ]" 3
229 2 4 DA H1' 2 4 DA H5'' 0.000 5.050 6.000 5.045 5.045 5.045 0.005 1 0 "[ ]" 3
230 2 5 DA H1' 2 5 DA H5'' 0.000 5.050 6.000 5.041 5.041 5.041 0.009 1 0 "[ ]" 3
231 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
232 2 7 DT H1' 2 7 DT H5'' 0.000 5.050 6.000 5.029 5.029 5.029 0.021 1 0 "[ ]" 3
233 2 8 DC H1' 2 8 DC H5'' 0.000 5.050 6.000 5.028 5.028 5.028 0.022 1 0 "[ ]" 3
234 2 9 DG H1' 2 9 DG H5'' 0.000 5.050 6.000 5.037 5.037 5.037 0.013 1 0 "[ ]" 3
235 2 10 DT H1' 2 10 DT H5'' 0.000 5.050 6.000 5.031 5.031 5.031 0.019 1 0 "[ ]" 3
236 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
237 2 12 DC H1' 2 12 DC H5'' 0.000 5.050 6.000 5.027 5.027 5.027 0.023 1 0 "[ ]" 3
238 1 1 DG H1' 1 1 DG H5' 0.000 4.550 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 3
239 1 2 DC H1' 1 2 DC H5' 0.000 4.550 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 3
240 1 3 DA H1' 1 3 DA H5' 0.000 4.550 5.000 4.735 4.735 4.735 . 0 0 "[ ]" 3
241 1 4 DC H1' 1 4 DC H5' 0.000 4.550 5.000 4.549 4.549 4.549 0.001 1 0 "[ ]" 3
242 1 5 DG H1' 1 5 DG H5' 0.000 4.550 5.000 4.668 4.668 4.668 . 0 0 "[ ]" 3
243 1 6 DA H1' 1 6 DA H5' 0.000 4.550 5.000 4.547 4.547 4.547 0.003 1 0 "[ ]" 3
244 1 7 DA H1' 1 7 DA H5' 0.000 4.550 5.000 4.588 4.588 4.588 . 0 0 "[ ]" 3
245 1 8 DT H1' 1 8 DT H5' 0.000 4.550 5.000 4.534 4.534 4.534 0.016 1 0 "[ ]" 3
246 1 9 DT H1' 1 9 DT H5' 0.000 4.050 4.250 4.282 4.282 4.282 0.032 1 0 "[ ]" 3
247 1 10 DA H1' 1 10 DA H5' 0.000 4.550 5.000 4.549 4.549 4.549 0.001 1 0 "[ ]" 3
248 1 11 DA H1' 1 11 DA H5' 0.000 4.550 5.000 4.618 4.618 4.618 . 0 0 "[ ]" 3
249 1 12 DG H1' 1 12 DG H5' 0.000 4.550 5.000 4.545 4.545 4.545 0.005 1 0 "[ ]" 3
250 2 1 DC H1' 2 1 DC H5' 0.000 4.550 5.000 4.550 4.550 4.550 . 1 0 "[ ]" 3
251 2 2 DT H1' 2 2 DT H5' 0.000 4.550 5.000 4.609 4.609 4.609 . 0 0 "[ ]" 3
252 2 3 DT H1' 2 3 DT H5' 0.000 4.550 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 3
253 2 4 DA H1' 2 4 DA H5' 0.000 4.550 5.000 4.724 4.724 4.724 . 0 0 "[ ]" 3
254 2 5 DA H1' 2 5 DA H5' 0.000 4.550 5.000 4.651 4.651 4.651 . 0 0 "[ ]" 3
255 2 6 DT H1' 2 6 DT H5' 0.000 4.550 5.000 4.546 4.546 4.546 0.004 1 0 "[ ]" 3
256 2 7 DT H1' 2 7 DT H5' 0.000 4.550 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 3
257 2 8 DC H1' 2 8 DC H5' 0.000 4.550 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 3
258 2 9 DG H1' 2 9 DG H5' 0.000 4.550 5.000 4.680 4.680 4.680 . 0 0 "[ ]" 3
259 2 10 DT H1' 2 10 DT H5' 0.000 4.550 5.000 4.619 4.619 4.619 . 0 0 "[ ]" 3
260 2 11 DG H1' 2 11 DG H5' 0.000 4.550 5.000 4.668 4.668 4.668 . 0 0 "[ ]" 3
261 2 12 DC H1' 2 12 DC H5' 0.000 4.550 5.000 4.549 4.549 4.549 0.001 1 0 "[ ]" 3
262 1 1 DG H1' 1 2 DC H5'' 0.000 4.050 5.000 4.651 4.651 4.651 . 0 0 "[ ]" 3
263 1 2 DC H1' 1 3 DA H5'' 0.000 4.050 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 3
264 1 3 DA H1' 1 4 DC H5'' 0.000 4.050 5.000 4.662 4.662 4.662 . 0 0 "[ ]" 3
265 1 4 DC H1' 1 5 DG H5'' 0.000 4.050 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 3
266 1 5 DG H1' 1 6 DA H5'' 0.000 4.050 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 3
267 1 6 DA H1' 1 7 DA H5'' 0.000 4.050 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 3
268 1 7 DA H1' 1 8 DT H5'' 0.000 5.000 6.000 4.863 4.863 4.863 0.137 1 0 "[ ]" 3
269 1 8 DT H1' 1 9 DT H5'' 0.000 4.050 4.550 4.294 4.294 4.294 . 0 0 "[ ]" 3
270 1 9 DT H1' 1 10 DA H5'' 0.000 4.050 5.000 4.736 4.736 4.736 . 0 0 "[ ]" 3
271 1 10 DA H1' 1 11 DA H5'' 0.000 4.050 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 3
272 1 11 DA H1' 1 12 DG H5'' 0.000 4.050 5.000 4.619 4.619 4.619 . 0 0 "[ ]" 3
273 2 1 DC H1' 2 2 DT H5'' 0.000 4.050 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 3
274 2 2 DT H1' 2 3 DT H5'' 0.000 4.050 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 3
275 2 3 DT H1' 2 4 DA H5'' 0.000 4.050 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 3
276 2 4 DA H1' 2 5 DA H5'' 0.000 4.050 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 3
277 2 5 DA H1' 2 6 DT H5'' 0.000 4.050 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 3
278 2 6 DT H1' 2 7 DT H5'' 0.000 4.050 5.000 4.665 4.665 4.665 . 0 0 "[ ]" 3
279 2 7 DT H1' 2 8 DC H5'' 0.000 4.050 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 3
280 2 8 DC H1' 2 9 DG H5'' 0.000 4.050 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 3
281 2 9 DG H1' 2 10 DT H5'' 0.000 4.050 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 3
282 2 10 DT H1' 2 11 DG H5'' 0.000 4.050 5.000 4.226 4.226 4.226 . 0 0 "[ ]" 3
283 2 11 DG H1' 2 12 DC H5'' 0.000 4.050 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 3
284 1 1 DG H1' 1 2 DC H5' 0.000 2.500 3.000 3.013 3.013 3.013 0.013 1 0 "[ ]" 3
285 1 2 DC H1' 1 3 DA H5' 0.000 2.500 3.000 3.004 3.004 3.004 0.004 1 0 "[ ]" 3
286 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
287 1 4 DC H1' 1 5 DG H5' 0.000 2.500 3.000 2.670 2.670 2.670 . 0 0 "[ ]" 3
288 1 5 DG H1' 1 6 DA H5' 0.000 2.500 3.000 3.000 3.000 3.000 0.000 1 0 "[ ]" 3
289 1 6 DA H1' 1 7 DA H5' 0.000 2.500 3.000 3.019 3.019 3.019 0.019 1 0 "[ ]" 3
290 1 7 DA H1' 1 8 DT H5' 0.000 2.500 3.000 3.099 3.099 3.099 0.099 1 0 "[ ]" 3
291 1 8 DT H1' 1 9 DT H5' 0.000 2.750 3.050 2.712 2.712 2.712 0.038 1 0 "[ ]" 3
292 1 9 DT H1' 1 10 DA H5' 0.000 2.500 3.000 3.013 3.013 3.013 0.013 1 0 "[ ]" 3
293 1 10 DA H1' 1 11 DA H5' 0.000 2.500 3.000 2.954 2.954 2.954 . 0 0 "[ ]" 3
294 1 11 DA H1' 1 12 DG H5' 0.000 2.500 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 3
295 2 1 DC H1' 2 2 DT H5' 0.000 2.500 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 3
296 2 2 DT H1' 2 3 DT H5' 0.000 2.500 3.000 2.996 2.996 2.996 . 0 0 "[ ]" 3
297 2 3 DT H1' 2 4 DA H5' 0.000 2.500 3.000 2.908 2.908 2.908 . 0 0 "[ ]" 3
298 2 4 DA H1' 2 5 DA H5' 0.000 2.500 3.000 3.009 3.009 3.009 0.009 1 0 "[ ]" 3
299 2 5 DA H1' 2 6 DT H5' 0.000 2.500 3.000 3.015 3.015 3.015 0.015 1 0 "[ ]" 3
300 2 6 DT H1' 2 7 DT H5' 0.000 2.500 3.000 3.011 3.011 3.011 0.011 1 0 "[ ]" 3
301 2 7 DT H1' 2 8 DC H5' 0.000 2.500 3.000 3.008 3.008 3.008 0.008 1 0 "[ ]" 3
302 2 8 DC H1' 2 9 DG H5' 0.000 2.500 3.000 2.898 2.898 2.898 . 0 0 "[ ]" 3
303 2 9 DG H1' 2 10 DT H5' 0.000 2.500 3.000 2.687 2.687 2.687 . 0 0 "[ ]" 3
304 2 10 DT H1' 2 11 DG H5' 0.000 2.500 3.000 2.513 2.513 2.513 . 0 0 "[ ]" 3
305 2 11 DG H1' 2 12 DC H5' 0.000 2.500 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 3
306 1 6 DA H2 1 7 DA H2 0.000 3.200 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 3
307 1 10 DA H2 1 11 DA H2 0.000 3.200 3.400 3.402 3.402 3.402 0.002 1 0 "[ ]" 3
308 2 4 DA H2 2 5 DA H2 0.000 3.500 4.500 4.286 4.286 4.286 . 0 0 "[ ]" 3
309 1 10 DA H2 2 4 DA H2 0.000 3.500 4.000 4.001 4.001 4.001 0.001 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 28
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.199
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0201
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 0.000 0.000 . 0 "[ ]"
1 2 DC 0.056 0.029 1 0 "[ ]"
1 3 DA 0.012 0.012 1 0 "[ ]"
1 4 DC 0.000 0.000 . 0 "[ ]"
1 5 DG 0.000 0.000 . 0 "[ ]"
1 6 DA 0.000 0.000 . 0 "[ ]"
1 7 DA 0.000 0.000 . 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DT 0.095 0.095 1 0 "[ ]"
1 10 DA 0.037 0.037 1 0 "[ ]"
1 11 DA 0.000 0.000 . 0 "[ ]"
1 12 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DT 0.000 0.000 . 0 "[ ]"
2 3 DT 0.037 0.037 1 0 "[ ]"
2 4 DA 0.095 0.095 1 0 "[ ]"
2 5 DA 0.000 0.000 . 0 "[ ]"
2 6 DT 0.000 0.000 . 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 8 DC 0.000 0.000 . 0 "[ ]"
2 9 DG 0.000 0.000 . 0 "[ ]"
2 10 DT 0.012 0.012 1 0 "[ ]"
2 11 DG 0.056 0.029 1 0 "[ ]"
2 12 DC 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG O6 2 12 DC H41 0.000 . 2.100 1.919 1.919 1.919 . 0 0 "[ ]" 4
2 1 1 DG H1 2 12 DC N3 0.000 . 2.100 1.991 1.991 1.991 . 0 0 "[ ]" 4
3 1 1 DG H21 2 12 DC O2 0.000 . 2.100 2.068 2.068 2.068 . 0 0 "[ ]" 4
4 1 2 DC H41 2 11 DG O6 0.000 . 2.100 2.129 2.129 2.129 0.029 1 0 "[ ]" 4
5 1 2 DC N3 2 11 DG H1 0.000 . 2.100 2.078 2.078 2.078 . 0 0 "[ ]" 4
6 1 2 DC O2 2 11 DG H21 0.000 . 2.100 2.126 2.126 2.126 0.026 1 0 "[ ]" 4
7 1 3 DA H61 2 10 DT O4 0.000 . 2.100 2.003 2.003 2.003 . 0 0 "[ ]" 4
8 1 3 DA N1 2 10 DT H3 0.000 . 2.100 2.112 2.112 2.112 0.012 1 0 "[ ]" 4
9 1 4 DC H41 2 9 DG O6 0.000 . 2.100 1.981 1.981 1.981 . 0 0 "[ ]" 4
10 1 4 DC N3 2 9 DG H1 0.000 . 2.100 2.020 2.020 2.020 . 0 0 "[ ]" 4
11 1 4 DC O2 2 9 DG H21 0.000 . 2.100 1.953 1.953 1.953 . 0 0 "[ ]" 4
12 1 5 DG O6 2 8 DC H41 0.000 . 2.100 1.937 1.937 1.937 . 0 0 "[ ]" 4
13 1 5 DG H1 2 8 DC N3 0.000 . 2.100 2.047 2.047 2.047 . 0 0 "[ ]" 4
14 1 5 DG H21 2 8 DC O2 0.000 . 2.100 2.085 2.085 2.085 . 0 0 "[ ]" 4
15 1 6 DA H61 2 7 DT O4 0.000 . 2.100 1.997 1.997 1.997 . 0 0 "[ ]" 4
16 1 6 DA N1 2 7 DT H3 0.000 . 2.100 2.058 2.058 2.058 . 0 0 "[ ]" 4
17 1 7 DA H61 2 6 DT O4 0.000 . 2.100 1.927 1.927 1.927 . 0 0 "[ ]" 4
18 1 7 DA N1 2 6 DT H3 0.000 . 2.100 1.885 1.885 1.885 . 0 0 "[ ]" 4
19 1 8 DT O4 2 5 DA H61 0.000 . 2.100 2.084 2.084 2.084 . 0 0 "[ ]" 4
20 1 8 DT H3 2 5 DA N1 0.000 . 2.100 1.933 1.933 1.933 . 0 0 "[ ]" 4
21 1 9 DT O4 2 4 DA H61 0.000 . 2.100 1.939 1.939 1.939 . 0 0 "[ ]" 4
22 1 9 DT H3 2 4 DA N1 0.000 . 2.100 2.195 2.195 2.195 0.095 1 0 "[ ]" 4
23 1 10 DA H61 2 3 DT O4 0.000 . 2.100 1.982 1.982 1.982 . 0 0 "[ ]" 4
24 1 10 DA N1 2 3 DT H3 0.000 . 2.100 2.137 2.137 2.137 0.037 1 0 "[ ]" 4
25 1 11 DA H61 2 2 DT O4 0.000 . 2.100 1.994 1.994 1.994 . 0 0 "[ ]" 4
26 1 11 DA N1 2 2 DT H3 0.000 . 2.100 2.028 2.028 2.028 . 0 0 "[ ]" 4
27 1 12 DG O6 2 1 DC H41 0.000 . 2.100 2.068 2.068 2.068 . 0 0 "[ ]" 4
28 1 12 DG H1 2 1 DC N3 0.000 . 2.100 2.041 2.041 2.041 . 0 0 "[ ]" 4
stop_
save_
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