NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639581 |
6dvt   |
30484 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6dvt
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 11
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
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 0.000 0.000 . 0 "[ . 1 . ]"
1 2 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 3 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 4 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 5 DC 0.000 0.000 . 0 "[ . 1 . ]"
1 6 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 7 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 8 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 9 DA 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG H2' . . 10.600 3.017 2.751 3.053 . 0 0 "[ . 1 . ]" 1
2 1 2 DG H1' 1 2 DG H2'' . . 7.700 2.364 2.268 2.407 . 0 0 "[ . 1 . ]" 1
3 1 3 DG H1' 1 3 DG H2'' . . 6.400 2.399 2.298 2.476 . 0 0 "[ . 1 . ]" 1
4 1 4 DG H1' 1 4 DG H2'' . . 6.000 2.356 2.263 2.409 . 0 0 "[ . 1 . ]" 1
5 1 5 DC H1' 1 5 DC H2' . . 8.900 3.030 3.002 3.044 . 0 0 "[ . 1 . ]" 1
6 1 5 DC H1' 1 5 DC H2'' . . 9.300 2.347 2.270 2.403 . 0 0 "[ . 1 . ]" 1
7 1 6 DG H1' 1 6 DG H2'' . . 6.800 2.352 2.223 2.409 . 0 0 "[ . 1 . ]" 1
8 1 7 DG H1' 1 7 DG H2'' . . 5.500 2.379 2.270 2.431 . 0 0 "[ . 1 . ]" 1
9 1 8 DG H1' 1 8 DG H2' . . 10.300 3.026 2.971 3.052 . 0 0 "[ . 1 . ]" 1
10 1 9 DA H1' 1 9 DA H2' . . 8.100 2.932 2.747 3.050 . 0 0 "[ . 1 . ]" 1
11 1 9 DA H1' 1 9 DA H2'' . . 7.700 2.345 2.258 2.413 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 75.409
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 3 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 4 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 5 DC 0.577 0.033 18 0 "[ . 1 . ]"
1 6 DG 0.000 0.000 . 0 "[ . 1 . ]"
2 2 DC 0.569 0.034 2 0 "[ . 1 . ]"
2 3 DC 0.567 0.033 15 0 "[ . 1 . ]"
2 4 DC 0.562 0.032 6 0 "[ . 1 . ]"
2 5 DG 0.000 0.000 . 0 "[ . 1 . ]"
2 6 DC 0.577 0.034 2 0 "[ . 1 . ]"
2 7 DC 0.552 0.032 3 0 "[ . 1 . ]"
2 8 DC 0.566 0.033 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG H1 2 8 DC H42 3.900 . 6.000 4.182 4.036 4.272 . 0 0 "[ . 1 . ]" 2
2 1 3 DG H1 2 7 DC H41 3.900 . 6.000 2.626 2.499 2.760 . 0 0 "[ . 1 . ]" 2
3 1 3 DG H1 2 7 DC H42 3.900 . 6.000 4.174 4.065 4.291 . 0 0 "[ . 1 . ]" 2
4 1 4 DG H1 2 6 DC H41 3.900 . 6.000 2.609 2.527 2.751 . 0 0 "[ . 1 . ]" 2
5 1 4 DG H1 2 6 DC H42 3.900 . 6.000 4.166 4.094 4.294 . 0 0 "[ . 1 . ]" 2
6 1 5 DC H41 1 5 DC H42 3.900 . 6.000 1.770 1.767 1.772 0.033 18 0 "[ . 1 . ]" 2
7 1 5 DC H41 1 5 DC H5 3.900 . 6.000 3.677 3.671 3.683 . 0 0 "[ . 1 . ]" 2
8 1 5 DC H42 1 5 DC H5 3.900 . 6.000 2.429 2.413 2.440 . 0 0 "[ . 1 . ]" 2
9 1 5 DC H42 2 4 DC H42 3.900 . 6.000 4.728 4.227 5.241 . 0 0 "[ . 1 . ]" 2
10 1 6 DG H1 2 4 DC H41 3.900 . 6.000 2.580 2.482 2.795 . 0 0 "[ . 1 . ]" 2
11 1 6 DG H1 2 4 DC H42 3.900 . 6.000 4.132 4.013 4.315 . 0 0 "[ . 1 . ]" 2
12 2 2 DC H41 2 2 DC H42 3.900 . 6.000 1.770 1.766 1.772 0.034 2 0 "[ . 1 . ]" 2
13 2 2 DC H41 2 2 DC H5 3.900 . 6.000 3.683 3.674 3.692 . 0 0 "[ . 1 . ]" 2
14 2 2 DC H42 2 2 DC H5 3.900 . 6.000 2.443 2.428 2.457 . 0 0 "[ . 1 . ]" 2
15 2 3 DC H41 2 3 DC H42 3.900 . 6.000 1.770 1.767 1.774 0.033 15 0 "[ . 1 . ]" 2
16 2 3 DC H41 2 3 DC H5 3.900 . 6.000 3.679 3.669 3.690 . 0 0 "[ . 1 . ]" 2
17 2 3 DC H42 2 3 DC H5 3.900 . 6.000 2.435 2.413 2.459 . 0 0 "[ . 1 . ]" 2
18 2 4 DC H41 2 4 DC H42 3.900 . 6.000 1.770 1.768 1.775 0.032 6 0 "[ . 1 . ]" 2
19 2 4 DC H41 2 4 DC H5 3.900 . 6.000 3.682 3.677 3.689 . 0 0 "[ . 1 . ]" 2
20 2 4 DC H42 2 4 DC H5 3.900 . 6.000 2.436 2.426 2.451 . 0 0 "[ . 1 . ]" 2
21 1 5 DC H41 2 5 DG H1 3.900 . 6.000 2.626 2.441 2.748 . 0 0 "[ . 1 . ]" 2
22 1 5 DC H42 2 5 DG H1 3.900 . 6.000 4.180 4.019 4.288 . 0 0 "[ . 1 . ]" 2
23 2 6 DC H41 2 6 DC H42 3.900 . 6.000 1.770 1.766 1.772 0.034 2 0 "[ . 1 . ]" 2
24 2 6 DC H41 2 6 DC H5 3.900 . 6.000 3.677 3.672 3.686 . 0 0 "[ . 1 . ]" 2
25 2 6 DC H41 2 7 DC H42 3.900 . 6.000 3.705 3.161 5.345 . 0 0 "[ . 1 . ]" 2
26 2 6 DC H42 2 6 DC H5 3.900 . 6.000 2.432 2.419 2.454 . 0 0 "[ . 1 . ]" 2
27 2 6 DC H42 2 7 DC H41 3.900 . 6.000 3.930 3.387 4.425 . 0 0 "[ . 1 . ]" 2
28 2 6 DC H42 2 7 DC H42 3.900 . 6.000 3.501 3.144 5.125 . 0 0 "[ . 1 . ]" 2
29 2 6 DC H41 2 7 DC H41 3.900 . 6.000 3.403 3.125 4.090 . 0 0 "[ . 1 . ]" 2
30 2 7 DC H41 2 7 DC H42 3.900 . 6.000 1.771 1.768 1.774 0.032 3 0 "[ . 1 . ]" 2
31 2 7 DC H41 2 7 DC H5 3.900 . 6.000 3.681 3.672 3.691 . 0 0 "[ . 1 . ]" 2
32 2 7 DC H42 2 7 DC H5 3.900 . 6.000 2.440 2.425 2.463 . 0 0 "[ . 1 . ]" 2
33 2 8 DC H41 2 8 DC H42 3.900 . 6.000 1.770 1.767 1.775 0.033 16 0 "[ . 1 . ]" 2
34 2 8 DC H41 2 8 DC H5 3.900 . 6.000 3.686 3.675 3.700 . 0 0 "[ . 1 . ]" 2
35 2 8 DC H42 2 8 DC H5 3.900 . 6.000 2.443 2.425 2.466 . 0 0 "[ . 1 . ]" 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 69
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 43.232
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 0.075 0.034 1 0 "[ . 1 . ]"
1 2 DG 0.000 0.000 . 0 "[ . 1 . ]"
1 3 DG 0.204 0.083 3 0 "[ . 1 . ]"
1 4 DG 0.373 0.141 12 0 "[ . 1 . ]"
1 5 DC 0.156 0.051 12 0 "[ . 1 . ]"
1 6 DG 0.163 0.029 18 0 "[ . 1 . ]"
1 7 DG 0.864 0.299 8 0 "[ . 1 . ]"
1 8 DG 0.537 0.077 15 0 "[ . 1 . ]"
1 9 DA 0.072 0.020 17 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG H4' . . 4.400 3.216 2.897 3.719 . 0 0 "[ . 1 . ]" 3
2 1 1 DG H3' 1 1 DG H8 . . 5.150 4.398 2.261 5.184 0.034 1 0 "[ . 1 . ]" 3
3 1 2 DG H1' 1 2 DG H4' . . 4.510 2.943 2.404 3.713 . 0 0 "[ . 1 . ]" 3
4 1 2 DG H4' 1 2 DG H8 . . 5.500 4.822 4.637 5.068 . 0 0 "[ . 1 . ]" 3
5 1 3 DG H1' 1 3 DG H4' . . 4.460 2.858 2.551 3.229 . 0 0 "[ . 1 . ]" 3
6 1 3 DG H1' 1 4 DG H8 . . 4.510 3.902 3.139 4.417 . 0 0 "[ . 1 . ]" 3
7 1 3 DG H2' 1 3 DG H8 . . 3.560 2.530 2.329 3.111 . 0 0 "[ . 1 . ]" 3
8 1 3 DG H4' 1 3 DG H8 . . 5.350 5.031 4.820 5.354 0.004 11 0 "[ . 1 . ]" 3
9 1 2 DG H1' 1 3 DG H8 . . 4.700 4.118 3.388 4.597 . 0 0 "[ . 1 . ]" 3
10 1 3 DG H3' 1 3 DG H8 . . 4.660 4.524 4.194 4.743 0.083 3 0 "[ . 1 . ]" 3
11 1 4 DG H1' 1 4 DG H4' . . 4.590 2.975 2.598 3.713 . 0 0 "[ . 1 . ]" 3
12 1 4 DG H1' 1 5 DC H6 . . 4.950 4.309 3.573 5.001 0.051 12 0 "[ . 1 . ]" 3
13 1 4 DG H2'' 1 5 DC H6 . . 4.760 2.635 2.241 3.823 . 0 0 "[ . 1 . ]" 3
14 1 4 DG H3' 1 5 DC H6 . . 5.500 4.551 3.055 5.505 0.005 9 0 "[ . 1 . ]" 3
15 1 4 DG H8 1 5 DC H5 . . 5.210 4.097 3.606 4.408 . 0 0 "[ . 1 . ]" 3
16 1 5 DC H2'' 1 5 DC H6 . . 4.300 3.905 3.614 4.317 0.017 9 0 "[ . 1 . ]" 3
17 1 5 DC H2' 1 5 DC H6 . . 4.300 2.514 2.222 3.056 . 0 0 "[ . 1 . ]" 3
18 1 5 DC H2' 1 6 DG H8 . . 4.520 2.987 2.357 3.505 . 0 0 "[ . 1 . ]" 3
19 1 5 DC H3' 1 5 DC H6 . . 4.740 4.167 3.591 4.529 . 0 0 "[ . 1 . ]" 3
20 1 4 DG H2' 1 5 DC H6 . . 4.760 3.149 2.268 4.087 . 0 0 "[ . 1 . ]" 3
21 1 4 DG H8 1 5 DC H6 . . 5.500 5.219 4.523 5.514 0.014 10 0 "[ . 1 . ]" 3
22 1 6 DG H1' 1 6 DG H4' . . 4.660 2.882 2.577 3.610 . 0 0 "[ . 1 . ]" 3
23 1 6 DG H5' 1 6 DG H8 . . 5.500 4.737 2.268 5.455 . 0 0 "[ . 1 . ]" 3
24 1 5 DC H1' 1 6 DG H8 . . 5.500 4.108 3.733 4.655 . 0 0 "[ . 1 . ]" 3
25 1 5 DC H2'' 1 6 DG H8 . . 4.520 2.537 2.148 3.105 . 0 0 "[ . 1 . ]" 3
26 1 5 DC H3' 1 6 DG H8 . . 5.350 4.806 4.174 5.370 0.020 17 0 "[ . 1 . ]" 3
27 1 5 DC H6 1 6 DG H8 . . 5.500 4.485 3.949 5.436 . 0 0 "[ . 1 . ]" 3
28 1 6 DG H3' 1 6 DG H8 . . 4.810 4.166 2.261 4.617 . 0 0 "[ . 1 . ]" 3
29 1 6 DG H4' 1 6 DG H8 . . 5.500 4.896 4.165 5.111 . 0 0 "[ . 1 . ]" 3
30 1 6 DG H5'' 1 6 DG H8 . . 5.500 4.674 3.337 5.517 0.017 10 0 "[ . 1 . ]" 3
31 1 7 DG H1' 1 7 DG H4' . . 4.590 2.968 2.737 3.375 . 0 0 "[ . 1 . ]" 3
32 1 6 DG H1' 1 7 DG H8 . . 4.940 4.067 3.648 4.969 0.029 18 0 "[ . 1 . ]" 3
33 1 7 DG H2'' 1 7 DG H8 . . 4.010 3.914 3.469 4.309 0.299 8 0 "[ . 1 . ]" 3
34 1 7 DG H2' 1 7 DG H8 . . 4.010 2.664 2.328 3.437 . 0 0 "[ . 1 . ]" 3
35 1 8 DG H1' 1 8 DG H5'' . . 4.910 4.517 4.134 4.828 . 0 0 "[ . 1 . ]" 3
36 1 8 DG H1' 1 8 DG H5' . . 4.910 4.708 4.389 4.987 0.077 15 0 "[ . 1 . ]" 3
37 1 8 DG H1' 1 9 DA H8 . . 5.090 4.370 3.958 4.835 . 0 0 "[ . 1 . ]" 3
38 1 8 DG H4' 1 8 DG H8 . . 5.500 4.770 4.390 5.237 . 0 0 "[ . 1 . ]" 3
39 1 9 DA H1' 1 9 DA H4' . . 4.520 3.102 2.875 3.480 . 0 0 "[ . 1 . ]" 3
40 1 9 DA H5' 1 9 DA H8 . . 5.500 4.326 2.574 5.062 . 0 0 "[ . 1 . ]" 3
41 1 9 DA H4' 1 9 DA H8 . . 5.500 4.727 4.307 5.162 . 0 0 "[ . 1 . ]" 3
42 1 9 DA H5'' 1 9 DA H8 . . 5.500 4.425 2.958 5.501 0.001 6 0 "[ . 1 . ]" 3
43 1 1 DG Q2' 1 1 DG Q5' . . 4.330 2.973 2.354 3.925 . 0 0 "[ . 1 . ]" 3
44 1 1 DG Q5' 1 1 DG H8 . . 4.730 3.675 2.200 4.749 0.019 8 0 "[ . 1 . ]" 3
45 1 1 DG Q2' 1 1 DG H8 . . 3.600 2.512 2.198 3.411 . 0 0 "[ . 1 . ]" 3
46 1 1 DG Q2' 1 2 DG H8 . . 4.950 2.975 2.252 3.947 . 0 0 "[ . 1 . ]" 3
47 1 2 DG Q5' 1 2 DG H8 . . 5.340 3.661 2.101 4.620 . 0 0 "[ . 1 . ]" 3
48 1 3 DG H3' 1 3 DG Q5' . . 3.620 2.609 2.461 2.732 . 0 0 "[ . 1 . ]" 3
49 1 3 DG Q2' 1 3 DG Q5' . . 4.580 3.609 3.423 3.941 . 0 0 "[ . 1 . ]" 3
50 1 3 DG H1' 1 3 DG Q5' . . 4.540 4.146 4.037 4.272 . 0 0 "[ . 1 . ]" 3
51 1 4 DG Q2' 1 4 DG Q5' . . 4.800 3.426 2.463 3.974 . 0 0 "[ . 1 . ]" 3
52 1 4 DG Q2' 1 4 DG H8 . . 3.360 2.900 2.210 3.501 0.141 12 0 "[ . 1 . ]" 3
53 1 4 DG Q2' 1 5 DC H5 . . 5.350 3.103 2.591 4.249 . 0 0 "[ . 1 . ]" 3
54 1 4 DG Q2' 1 5 DC H6 . . 3.900 2.364 2.146 2.900 . 0 0 "[ . 1 . ]" 3
55 1 5 DC Q2' 1 5 DC Q5' . . 4.200 3.065 2.353 3.955 . 0 0 "[ . 1 . ]" 3
56 1 5 DC Q5' 1 5 DC H6 . . 5.140 3.287 2.259 4.344 . 0 0 "[ . 1 . ]" 3
57 1 5 DC Q2' 1 5 DC H5 . . 5.020 4.388 4.221 4.562 . 0 0 "[ . 1 . ]" 3
58 1 5 DC Q2' 1 5 DC H6 . . 3.420 2.485 2.202 2.996 . 0 0 "[ . 1 . ]" 3
59 1 5 DC Q2' 1 6 DG H8 . . 3.970 2.374 2.073 2.853 . 0 0 "[ . 1 . ]" 3
60 1 6 DG Q5' 1 6 DG H8 . . 4.830 3.986 2.254 4.559 . 0 0 "[ . 1 . ]" 3
61 1 6 DG Q2' 1 6 DG H8 . . 3.380 2.693 2.382 3.384 0.004 8 0 "[ . 1 . ]" 3
62 1 6 DG Q2' 1 7 DG H8 . . 4.150 2.449 2.175 3.023 . 0 0 "[ . 1 . ]" 3
63 1 7 DG Q5' 1 7 DG H8 . . 4.850 4.218 3.517 4.778 . 0 0 "[ . 1 . ]" 3
64 1 7 DG Q2' 1 7 DG H8 . . 3.430 2.617 2.294 3.308 . 0 0 "[ . 1 . ]" 3
65 1 7 DG Q2' 1 8 DG H8 . . 3.410 2.593 2.230 3.266 . 0 0 "[ . 1 . ]" 3
66 1 8 DG H3' 1 8 DG Q5' . . 3.360 2.409 2.166 2.843 . 0 0 "[ . 1 . ]" 3
67 1 8 DG H1' 1 8 DG Q5' . . 4.080 4.067 3.943 4.144 0.064 17 0 "[ . 1 . ]" 3
68 1 9 DA H3' 1 9 DA Q5' . . 3.760 2.561 2.204 2.870 . 0 0 "[ . 1 . ]" 3
69 1 9 DA Q2' 1 9 DA H8 . . 3.270 2.862 2.296 3.290 0.020 17 0 "[ . 1 . ]" 3
stop_
save_
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