NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571064 |
2meq   |
18975 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2meq
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 22
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 11.033
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0162
_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 G 0.018 0.005 3 0 "[ . 1]"
1 2 G 0.018 0.005 3 0 "[ . 1]"
1 3 C 0.091 0.015 10 0 "[ . 1]"
1 4 C 0.185 0.022 8 0 "[ . 1]"
1 5 G 0.292 0.025 1 0 "[ . 1]"
1 15 C 0.000 0.000 . 0 "[ . 1]"
1 16 G 0.450 0.028 4 0 "[ . 1]"
1 17 G 0.703 0.032 3 0 "[ . 1]"
1 18 U 0.450 0.032 3 0 "[ . 1]"
1 19 C 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 G O6 1 2 G O6 4.600 4.100 5.100 4.106 4.095 4.138 0.005 3 0 "[ . 1]" 1
2 1 1 G N2 1 2 G N2 4.800 4.300 5.300 4.711 4.683 4.736 . 0 0 "[ . 1]" 1
3 1 2 G O6 1 3 C N4 4.700 4.200 5.200 4.567 4.521 4.621 . 0 0 "[ . 1]" 1
4 1 2 G N2 1 3 C O2 3.500 3.000 4.000 3.862 3.812 3.909 . 0 0 "[ . 1]" 1
5 1 3 C N4 1 4 C N4 3.700 3.200 4.200 4.205 4.163 4.215 0.015 10 0 "[ . 1]" 1
6 1 3 C O2 1 4 C O2 4.800 4.300 5.300 5.158 5.090 5.247 . 0 0 "[ . 1]" 1
7 1 4 C N4 1 5 G O6 5.400 4.900 5.900 5.838 5.188 5.922 0.022 8 0 "[ . 1]" 1
8 1 4 C O2 1 5 G N2 6.500 6.000 7.000 6.138 6.001 6.562 . 0 0 "[ . 1]" 1
9 1 18 U O2 1 19 C O2 5.000 4.500 5.500 5.123 5.113 5.135 . 0 0 "[ . 1]" 1
10 1 18 U O4 1 19 C N4 4.900 4.400 5.400 5.054 5.013 5.107 . 0 0 "[ . 1]" 1
11 1 17 G N2 1 18 U O2 3.200 2.700 3.700 3.727 3.725 3.732 0.032 3 0 "[ . 1]" 1
12 1 17 G O6 1 18 U O4 3.900 3.400 4.400 4.418 4.415 4.423 0.023 5 0 "[ . 1]" 1
13 1 16 G O6 1 17 G O6 4.900 4.400 5.400 4.376 4.372 4.380 0.028 4 0 "[ . 1]" 1
14 1 16 G N2 1 17 G N2 4.600 4.100 5.100 5.062 4.993 5.107 0.007 9 0 "[ . 1]" 1
15 1 15 C N4 1 16 G O6 5.300 4.800 5.800 5.702 5.564 5.766 . 0 0 "[ . 1]" 1
16 1 15 C O2 1 16 G N2 6.400 5.900 6.900 6.293 6.224 6.484 . 0 0 "[ . 1]" 1
17 1 1 G H1 1 2 G H1 4.500 4.000 5.000 4.262 4.251 4.273 . 0 0 "[ . 1]" 1
18 1 1 G H1 1 18 U H3 5.300 4.800 5.800 5.249 5.243 5.260 . 0 0 "[ . 1]" 1
19 1 17 G H1 1 18 U H3 3.600 3.100 4.100 3.973 3.969 3.981 . 0 0 "[ . 1]" 1
20 1 2 G H1 1 17 G H1 4.500 4.000 5.000 4.536 4.511 4.567 . 0 0 "[ . 1]" 1
21 1 16 G H1 1 17 G H1 4.500 4.000 5.000 4.670 4.622 4.739 . 0 0 "[ . 1]" 1
22 1 5 G H1 1 16 G H1 4.400 3.900 4.900 4.920 4.915 4.925 0.025 1 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 12
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 23.825
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0461
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0199
_Distance_constraint_stats_list.Viol_average_violations_only 0.0507
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.093 0.011 2 0 "[ . 1]"
1 3 C 0.000 0.000 . 0 "[ . 1]"
1 4 C 0.620 0.052 8 0 "[ . 1]"
1 5 G 0.051 0.028 3 0 "[ . 1]"
1 15 C 0.205 0.029 3 0 "[ . 1]"
1 16 G 0.011 0.011 3 0 "[ . 1]"
1 17 G 2.074 0.230 3 0 "[ . 1]"
1 18 U 1.619 0.230 3 0 "[ . 1]"
1 19 C 0.093 0.011 2 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 G H1 1 19 C H41 2.400 . 2.900 2.710 2.643 2.740 . 0 0 "[ . 1]" 2
2 1 2 G H1 1 19 C H41 . 4.300 4.700 4.709 4.706 4.711 0.011 2 0 "[ . 1]" 2
3 1 18 U H3 1 19 C H41 4.600 4.100 5.100 4.454 4.431 4.484 . 0 0 "[ . 1]" 2
4 1 2 G H1 1 17 G H22 4.500 4.000 5.000 4.906 4.886 4.944 . 0 0 "[ . 1]" 2
5 1 17 G H22 1 18 U H3 4.400 3.900 4.900 5.062 5.024 5.130 0.230 3 0 "[ . 1]" 2
6 1 2 G H1 1 18 U H3 2.100 . 2.600 2.308 2.302 2.312 . 0 0 "[ . 1]" 2
7 1 3 C H41 1 17 G H1 2.500 . 3.000 2.138 2.075 2.160 . 0 0 "[ . 1]" 2
8 1 4 C H41 1 17 G H1 3.300 2.800 3.800 3.845 3.837 3.852 0.052 8 0 "[ . 1]" 2
9 1 3 C H41 1 16 G H1 5.800 5.300 6.300 5.732 5.508 5.895 . 0 0 "[ . 1]" 2
10 1 4 C H41 1 16 G H1 2.800 2.300 3.300 2.739 2.289 3.017 0.011 3 0 "[ . 1]" 2
11 1 5 G H1 1 15 C H41 2.600 2.100 3.100 2.126 2.072 2.308 0.028 3 0 "[ . 1]" 2
12 1 4 C H41 1 15 C H41 6.800 6.300 7.300 6.285 6.271 6.298 0.029 3 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 241
_Distance_constraint_stats_list.Viol_count 587
_Distance_constraint_stats_list.Viol_total 344.604
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0366
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.0587
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 1.865 0.137 6 0 "[ . 1]"
1 2 G 2.297 0.137 6 0 "[ . 1]"
1 3 C 0.424 0.032 8 0 "[ . 1]"
1 4 C 0.506 0.053 9 0 "[ . 1]"
1 5 G 1.277 0.131 10 0 "[ . 1]"
1 6 U 4.255 0.192 6 0 "[ . 1]"
1 7 A 5.574 0.192 6 0 "[ . 1]"
1 8 A 3.484 0.143 10 0 "[ . 1]"
1 9 C 3.717 0.275 10 0 "[ . 1]"
1 10 U 8.563 0.289 2 0 "[ . 1]"
1 11 A 6.747 0.289 2 0 "[ . 1]"
1 12 U 4.058 0.185 3 0 "[ . 1]"
1 13 A 2.970 0.185 3 0 "[ . 1]"
1 14 A 3.459 0.156 3 0 "[ . 1]"
1 15 C 2.600 0.156 3 0 "[ . 1]"
1 16 G 1.191 0.083 9 0 "[ . 1]"
1 17 G 0.305 0.048 3 0 "[ . 1]"
1 18 U 0.464 0.032 8 0 "[ . 1]"
1 19 C 4.120 0.186 4 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 G H1' 1 1 G H8 3.300 2.800 3.800 3.735 3.729 3.739 . 0 0 "[ . 1]" 3
2 1 1 G H2' 1 1 G H8 3.400 2.700 4.100 4.029 4.016 4.046 . 0 0 "[ . 1]" 3
3 1 1 G H3' 1 1 G H8 2.500 2.100 2.900 2.790 2.769 2.826 . 0 0 "[ . 1]" 3
4 1 1 G H4' 1 1 G H8 4.100 3.200 5.000 3.990 3.986 3.994 . 0 0 "[ . 1]" 3
5 1 2 G H1' 1 2 G H8 3.900 3.200 4.600 3.728 3.725 3.730 . 0 0 "[ . 1]" 3
6 1 2 G H2' 1 2 G H8 3.800 3.300 4.300 3.947 3.941 3.953 . 0 0 "[ . 1]" 3
7 1 2 G H3' 1 2 G H8 2.400 . 2.800 2.843 2.838 2.851 0.051 3 0 "[ . 1]" 3
8 1 2 G H4' 1 2 G H8 4.000 3.100 4.900 4.257 4.248 4.264 . 0 0 "[ . 1]" 3
9 1 1 G H8 1 2 G H8 5.000 4.000 6.000 5.023 5.011 5.042 . 0 0 "[ . 1]" 3
10 1 1 G H1' 1 2 G H8 3.800 3.100 4.500 4.636 4.634 4.637 0.137 6 0 "[ . 1]" 3
11 1 1 G H2' 1 2 G H8 2.500 2.100 2.900 2.049 2.045 2.053 0.055 8 0 "[ . 1]" 3
12 1 1 G H3' 1 2 G H8 4.100 3.200 5.000 3.215 3.199 3.241 0.001 3 0 "[ . 1]" 3
13 1 3 C H1' 1 3 C H6 3.900 3.200 4.600 3.531 3.527 3.541 . 0 0 "[ . 1]" 3
14 1 3 C H2' 1 3 C H6 4.000 3.100 4.900 3.888 3.858 3.902 . 0 0 "[ . 1]" 3
15 1 3 C H3' 1 3 C H6 2.500 2.100 2.900 2.923 2.908 2.932 0.032 8 0 "[ . 1]" 3
16 1 3 C H4' 1 3 C H6 4.000 3.100 4.900 4.067 4.056 4.072 . 0 0 "[ . 1]" 3
17 1 3 C H2' 1 3 C H5 4.500 3.000 6.000 5.346 5.328 5.358 . 0 0 "[ . 1]" 3
18 1 3 C H3' 1 3 C H5 4.500 3.000 6.000 4.755 4.747 4.763 . 0 0 "[ . 1]" 3
19 1 2 G H8 1 3 C H6 5.000 4.000 6.000 4.892 4.859 4.998 . 0 0 "[ . 1]" 3
20 1 2 G H1' 1 3 C H6 4.500 3.000 6.000 4.961 4.949 4.985 . 0 0 "[ . 1]" 3
21 1 2 G H2' 1 3 C H6 2.500 2.100 2.900 2.277 2.272 2.284 . 0 0 "[ . 1]" 3
22 1 2 G H3' 1 3 C H6 3.200 2.700 3.700 3.190 3.151 3.272 . 0 0 "[ . 1]" 3
23 1 2 G H2' 1 3 C H5 3.800 3.100 4.500 4.192 4.124 4.226 . 0 0 "[ . 1]" 3
24 1 2 G H3' 1 3 C H5 3.500 2.800 4.200 3.938 3.909 3.988 . 0 0 "[ . 1]" 3
25 1 2 G H8 1 3 C H5 4.000 3.100 4.900 4.780 4.742 4.822 . 0 0 "[ . 1]" 3
26 1 2 G H2' 1 3 C H1' 4.000 3.100 4.900 3.614 3.556 3.730 . 0 0 "[ . 1]" 3
27 1 4 C H1' 1 4 C H6 3.200 2.700 3.700 3.597 3.593 3.608 . 0 0 "[ . 1]" 3
28 1 4 C H2' 1 4 C H6 3.600 2.900 4.300 3.733 3.658 3.753 . 0 0 "[ . 1]" 3
29 1 4 C H3' 1 4 C H6 2.500 . 3.000 2.640 2.614 2.687 . 0 0 "[ . 1]" 3
30 1 4 C H4' 1 4 C H6 4.200 3.300 5.100 3.907 3.884 3.999 . 0 0 "[ . 1]" 3
31 1 3 C H6 1 4 C H6 5.000 4.000 6.000 5.727 5.624 5.759 . 0 0 "[ . 1]" 3
32 1 3 C H1' 1 4 C H6 4.000 3.000 5.000 5.001 4.987 5.014 0.014 3 0 "[ . 1]" 3
33 1 3 C H2' 1 4 C H6 2.500 . 3.000 2.250 2.237 2.265 . 0 0 "[ . 1]" 3
34 1 3 C H3' 1 4 C H6 3.100 2.600 3.600 3.610 3.605 3.621 0.021 3 0 "[ . 1]" 3
35 1 3 C H2' 1 4 C H5 3.200 2.700 3.700 3.029 2.955 3.182 . 0 0 "[ . 1]" 3
36 1 3 C H3' 1 4 C H5 3.400 2.700 4.100 3.478 3.402 3.700 . 0 0 "[ . 1]" 3
37 1 3 C H2' 1 4 C H1' 3.800 3.100 4.500 4.497 4.458 4.516 0.016 3 0 "[ . 1]" 3
38 1 5 G H1' 1 5 G H8 4.000 3.100 4.900 3.745 3.686 3.764 . 0 0 "[ . 1]" 3
39 1 5 G H2' 1 5 G H8 4.000 . 6.000 3.922 3.869 3.977 . 0 0 "[ . 1]" 3
40 1 5 G H3' 1 5 G H8 4.000 . 6.000 2.880 2.751 3.545 . 0 0 "[ . 1]" 3
41 1 4 C H6 1 5 G H8 5.000 4.000 6.000 5.478 4.628 5.638 . 0 0 "[ . 1]" 3
42 1 4 C H1' 1 5 G H8 4.100 3.200 5.000 5.031 5.010 5.053 0.053 9 0 "[ . 1]" 3
43 1 4 C H2' 1 5 G H8 2.500 2.100 2.900 2.311 2.273 2.358 . 0 0 "[ . 1]" 3
44 1 4 C H3' 1 5 G H8 3.800 2.900 4.700 3.548 3.340 3.626 . 0 0 "[ . 1]" 3
45 1 4 C H2' 1 5 G H1' 3.500 2.800 4.200 3.658 3.431 3.816 . 0 0 "[ . 1]" 3
46 1 6 U H1' 1 6 U H6 3.600 2.900 4.300 3.228 3.089 3.449 . 0 0 "[ . 1]" 3
47 1 6 U H2' 1 6 U H6 4.500 3.000 6.000 4.417 4.153 4.549 . 0 0 "[ . 1]" 3
48 1 6 U H3' 1 6 U H6 4.500 3.000 6.000 3.747 3.087 4.181 . 0 0 "[ . 1]" 3
49 1 6 U H4' 1 6 U H6 4.100 3.100 5.100 4.082 3.843 4.199 . 0 0 "[ . 1]" 3
50 1 6 U H1' 1 6 U H5 5.000 4.000 6.000 5.099 5.004 5.255 . 0 0 "[ . 1]" 3
51 1 6 U H2' 1 6 U H5 5.000 4.000 6.000 5.795 5.538 5.929 . 0 0 "[ . 1]" 3
52 1 6 U H3' 1 6 U H5 4.500 3.000 6.000 5.122 4.601 5.478 . 0 0 "[ . 1]" 3
53 1 5 G H1' 1 6 U H6 3.600 2.900 4.300 4.375 4.328 4.431 0.131 10 0 "[ . 1]" 3
54 1 5 G H2' 1 6 U H6 4.000 . 6.000 2.206 1.987 2.731 0.013 10 0 "[ . 1]" 3
55 1 5 G H3' 1 6 U H6 4.000 . 6.000 3.778 3.625 3.886 . 0 0 "[ . 1]" 3
56 1 5 G H2' 1 6 U H5 4.400 3.500 5.300 4.221 3.424 4.450 0.076 3 0 "[ . 1]" 3
57 1 5 G H3' 1 6 U H5 4.400 3.500 5.300 5.047 4.376 5.323 0.023 4 0 "[ . 1]" 3
58 1 5 G H2' 1 6 U H1' 3.700 3.000 4.400 3.530 3.272 4.165 . 0 0 "[ . 1]" 3
59 1 5 G H2' 1 6 U H2' 5.000 4.000 6.000 5.317 5.135 6.067 0.067 3 0 "[ . 1]" 3
60 1 7 A H1' 1 7 A H8 3.800 3.100 4.500 3.678 3.650 3.701 . 0 0 "[ . 1]" 3
61 1 7 A H2' 1 7 A H8 3.000 . 4.000 4.081 4.026 4.115 0.115 5 0 "[ . 1]" 3
62 1 7 A H3' 1 7 A H8 3.000 . 4.000 3.169 3.042 3.284 . 0 0 "[ . 1]" 3
63 1 7 A H4' 1 7 A H8 3.600 2.900 4.300 4.181 4.100 4.367 0.067 3 0 "[ . 1]" 3
64 1 7 A H1' 1 7 A H2 5.000 4.000 6.000 4.806 4.768 4.843 . 0 0 "[ . 1]" 3
65 1 6 U H6 1 7 A H8 5.000 4.000 6.000 5.272 4.219 5.526 . 0 0 "[ . 1]" 3
66 1 6 U H5 1 7 A H8 5.000 4.000 6.000 5.859 4.719 6.060 0.060 9 0 "[ . 1]" 3
67 1 6 U H1' 1 7 A H8 4.800 3.900 5.700 5.150 4.499 5.566 . 0 0 "[ . 1]" 3
68 1 6 U H2' 1 7 A H8 2.700 2.300 3.100 2.796 2.274 3.134 0.034 7 0 "[ . 1]" 3
69 1 6 U H3' 1 7 A H8 2.800 2.400 3.200 2.305 2.256 2.369 0.144 7 0 "[ . 1]" 3
70 1 6 U H4' 1 7 A H8 4.000 3.000 5.000 5.139 5.070 5.192 0.192 6 0 "[ . 1]" 3
71 1 6 U H2' 1 7 A H1' 5.000 4.000 6.000 3.960 3.886 3.987 0.114 3 0 "[ . 1]" 3
72 1 8 A H1' 1 8 A H8 3.600 2.900 4.300 3.662 3.621 3.686 . 0 0 "[ . 1]" 3
73 1 8 A H2' 1 8 A H8 3.700 3.000 4.400 4.153 4.063 4.266 . 0 0 "[ . 1]" 3
74 1 8 A H3' 1 8 A H8 2.700 2.200 3.200 3.220 3.182 3.256 0.056 6 0 "[ . 1]" 3
75 1 8 A H4' 1 8 A H8 4.000 3.100 4.900 4.246 4.125 4.364 . 0 0 "[ . 1]" 3
76 1 8 A H1' 1 8 A H2 5.000 4.000 6.000 4.836 4.796 4.915 . 0 0 "[ . 1]" 3
77 1 7 A H8 1 8 A H8 5.000 4.000 6.000 5.541 4.690 6.042 0.042 9 0 "[ . 1]" 3
78 1 7 A H1' 1 8 A H8 5.000 4.100 5.900 5.052 4.878 5.347 . 0 0 "[ . 1]" 3
79 1 7 A H2' 1 8 A H8 3.000 . 4.000 2.403 2.211 3.071 . 0 0 "[ . 1]" 3
80 1 7 A H3' 1 8 A H8 3.000 . 4.000 3.444 3.090 3.777 . 0 0 "[ . 1]" 3
81 1 7 A H2 1 8 A H2 5.000 4.000 6.000 5.582 5.105 6.033 0.033 10 0 "[ . 1]" 3
82 1 7 A H2 1 8 A H1' 3.400 2.700 4.100 2.799 2.653 3.237 0.047 6 0 "[ . 1]" 3
83 1 7 A H1' 1 8 A H1' 5.000 4.000 6.000 5.263 4.957 5.434 . 0 0 "[ . 1]" 3
84 1 7 A H2' 1 8 A H1' 5.000 4.000 6.000 3.941 3.857 3.987 0.143 10 0 "[ . 1]" 3
85 1 7 A H2 1 8 A H2' 4.800 3.900 5.700 5.438 5.115 5.701 0.001 4 0 "[ . 1]" 3
86 1 9 C H1' 1 9 C H6 3.400 2.700 4.100 3.705 3.650 3.719 . 0 0 "[ . 1]" 3
87 1 9 C H2' 1 9 C H6 2.700 2.200 3.200 2.483 2.357 3.202 0.002 2 0 "[ . 1]" 3
88 1 9 C H3' 1 9 C H6 2.700 2.200 3.200 2.922 2.297 3.355 0.155 10 0 "[ . 1]" 3
89 1 9 C H4' 1 9 C H6 3.700 3.000 4.400 4.191 4.007 4.428 0.028 1 0 "[ . 1]" 3
90 1 9 C H1' 1 9 C H5 5.000 4.000 6.000 5.402 5.364 5.411 . 0 0 "[ . 1]" 3
91 1 9 C H2' 1 9 C H5 3.900 3.000 4.800 4.385 4.307 4.818 0.018 2 0 "[ . 1]" 3
92 1 9 C H3' 1 9 C H5 5.000 4.000 6.000 5.252 4.620 5.727 . 0 0 "[ . 1]" 3
93 1 8 A H8 1 9 C H6 5.000 4.000 6.000 5.383 4.593 6.076 0.076 3 0 "[ . 1]" 3
94 1 8 A H1' 1 9 C H6 5.000 4.000 6.000 5.816 5.541 6.012 0.012 6 0 "[ . 1]" 3
95 1 8 A H2' 1 9 C H6 2.800 2.300 3.300 3.245 2.978 3.380 0.080 8 0 "[ . 1]" 3
96 1 8 A H3' 1 9 C H6 3.100 2.600 3.600 3.203 2.802 3.602 0.002 7 0 "[ . 1]" 3
97 1 8 A H4' 1 9 C H6 4.500 3.000 6.000 5.943 5.721 6.084 0.084 7 0 "[ . 1]" 3
98 1 8 A H8 1 9 C H5 4.000 3.100 4.900 3.971 3.097 4.655 0.003 2 0 "[ . 1]" 3
99 1 8 A H1' 1 9 C H5 5.000 4.000 6.000 5.920 5.689 6.067 0.067 10 0 "[ . 1]" 3
100 1 8 A H2' 1 9 C H5 3.600 2.900 4.300 4.146 3.779 4.398 0.098 8 0 "[ . 1]" 3
101 1 8 A H3' 1 9 C H5 3.800 3.100 4.500 3.094 2.978 3.337 0.122 3 0 "[ . 1]" 3
102 1 8 A H2 1 9 C H1' 3.700 2.800 4.600 4.433 3.403 4.636 0.036 3 0 "[ . 1]" 3
103 1 8 A H2' 1 9 C H1' 5.000 4.000 6.000 4.795 4.436 5.131 . 0 0 "[ . 1]" 3
104 1 10 U H1' 1 10 U H6 4.500 3.000 6.000 3.615 3.592 3.642 . 0 0 "[ . 1]" 3
105 1 10 U H2' 1 10 U H6 2.300 . 2.800 2.830 2.535 2.954 0.154 3 0 "[ . 1]" 3
106 1 10 U H3' 1 10 U H6 3.600 2.900 4.300 4.018 3.826 4.113 . 0 0 "[ . 1]" 3
107 1 10 U H4' 1 10 U H6 4.000 3.100 4.900 3.955 3.744 4.369 . 0 0 "[ . 1]" 3
108 1 10 U H2' 1 10 U H5 5.000 4.000 6.000 4.523 4.365 4.577 . 0 0 "[ . 1]" 3
109 1 10 U H3' 1 10 U H5 5.000 4.000 6.000 6.195 6.090 6.247 0.247 1 0 "[ . 1]" 3
110 1 9 C H1' 1 10 U H6 4.100 3.200 5.000 4.715 4.102 5.034 0.034 7 0 "[ . 1]" 3
111 1 9 C H2' 1 10 U H6 4.000 3.100 4.900 4.796 4.192 5.003 0.103 2 0 "[ . 1]" 3
112 1 9 C H3' 1 10 U H6 3.900 3.000 4.800 4.339 4.154 4.921 0.121 3 0 "[ . 1]" 3
113 1 9 C H4' 1 10 U H6 4.000 3.100 4.900 3.869 3.308 5.025 0.125 3 0 "[ . 1]" 3
114 1 9 C H3' 1 10 U H5 5.000 4.000 6.000 4.730 4.254 6.002 0.002 3 0 "[ . 1]" 3
115 1 9 C H1' 1 10 U H1' 5.000 4.000 6.000 4.185 3.959 6.010 0.041 8 0 "[ . 1]" 3
116 1 9 C H4' 1 10 U H1' 5.000 4.000 6.000 4.984 4.491 6.275 0.275 10 0 "[ . 1]" 3
117 1 9 C H4' 1 10 U H3' 5.000 4.000 6.000 5.264 3.927 6.006 0.073 10 0 "[ . 1]" 3
118 1 11 A H1' 1 11 A H8 3.400 2.700 4.100 3.710 3.541 3.819 . 0 0 "[ . 1]" 3
119 1 11 A H2' 1 11 A H8 4.000 . 6.000 4.043 3.724 4.433 . 0 0 "[ . 1]" 3
120 1 11 A H3' 1 11 A H8 4.000 . 6.000 2.976 2.510 3.490 . 0 0 "[ . 1]" 3
121 1 11 A H4' 1 11 A H8 5.000 4.000 6.000 4.051 3.991 4.136 0.009 7 0 "[ . 1]" 3
122 1 11 A H1' 1 11 A H2 4.400 3.500 5.300 4.761 4.581 5.036 . 0 0 "[ . 1]" 3
123 1 11 A H2 1 11 A H2' 5.000 4.000 6.000 4.823 4.199 5.295 . 0 0 "[ . 1]" 3
124 1 9 C H1' 1 11 A H8 5.000 4.000 6.000 5.751 5.201 6.023 0.023 1 0 "[ . 1]" 3
125 1 9 C H4' 1 11 A H8 5.000 4.000 6.000 5.227 4.242 6.029 0.029 8 0 "[ . 1]" 3
126 1 10 U H6 1 11 A H8 5.000 4.000 6.000 6.178 6.066 6.289 0.289 2 0 "[ . 1]" 3
127 1 10 U H1' 1 11 A H8 5.000 4.000 6.000 3.999 3.778 5.501 0.222 2 0 "[ . 1]" 3
128 1 10 U H2' 1 11 A H8 5.000 4.000 6.000 5.302 5.025 5.401 . 0 0 "[ . 1]" 3
129 1 10 U H3' 1 11 A H8 3.500 2.800 4.200 4.088 2.786 4.266 0.066 1 0 "[ . 1]" 3
130 1 10 U H4' 1 11 A H8 4.000 3.100 4.900 2.985 2.954 3.066 0.146 1 0 "[ . 1]" 3
131 1 8 A H1' 1 11 A H1' 5.000 4.000 6.000 4.791 3.993 5.406 0.007 1 0 "[ . 1]" 3
132 1 8 A H2' 1 11 A H1' 3.400 2.700 4.100 4.110 3.743 4.185 0.085 8 0 "[ . 1]" 3
133 1 9 C H1' 1 11 A H1' 5.000 4.000 6.000 4.529 3.957 5.615 0.043 3 0 "[ . 1]" 3
134 1 10 U H4' 1 11 A H1' 5.000 4.000 6.000 4.392 3.969 5.712 0.031 7 0 "[ . 1]" 3
135 1 9 C H4' 1 11 A H4' 5.000 4.000 6.000 5.405 4.214 6.019 0.019 6 0 "[ . 1]" 3
136 1 12 U H1' 1 12 U H6 3.200 2.700 3.700 3.693 3.689 3.697 . 0 0 "[ . 1]" 3
137 1 12 U H2' 1 12 U H6 2.400 . 2.800 2.418 2.320 2.486 . 0 0 "[ . 1]" 3
138 1 12 U H3' 1 12 U H6 3.300 2.800 3.800 3.921 3.851 3.977 0.177 10 0 "[ . 1]" 3
139 1 12 U H4' 1 12 U H6 4.000 3.000 5.000 4.102 4.090 4.126 . 0 0 "[ . 1]" 3
140 1 12 U H2' 1 12 U H5 4.000 3.000 5.000 4.338 4.299 4.373 . 0 0 "[ . 1]" 3
141 1 11 A H8 1 12 U H6 5.000 4.000 6.000 5.423 4.745 6.029 0.029 8 0 "[ . 1]" 3
142 1 11 A H1' 1 12 U H6 5.000 4.000 6.000 5.742 5.360 6.079 0.079 3 0 "[ . 1]" 3
143 1 11 A H2' 1 12 U H6 4.000 . 6.000 3.130 2.768 3.694 . 0 0 "[ . 1]" 3
144 1 11 A H3' 1 12 U H6 4.000 . 6.000 3.408 3.135 3.571 . 0 0 "[ . 1]" 3
145 1 11 A H4' 1 12 U H6 5.000 4.000 6.000 6.091 6.011 6.128 0.128 10 0 "[ . 1]" 3
146 1 11 A H8 1 12 U H5 5.000 4.000 6.000 4.956 4.513 5.462 . 0 0 "[ . 1]" 3
147 1 11 A H2 1 12 U H5 5.000 4.000 6.000 5.250 4.495 6.009 0.009 10 0 "[ . 1]" 3
148 1 11 A H2 1 12 U H1' 5.000 4.000 6.000 5.911 5.403 6.064 0.064 9 0 "[ . 1]" 3
149 1 13 A H1' 1 13 A H8 3.500 2.800 4.200 3.574 3.485 3.707 . 0 0 "[ . 1]" 3
150 1 13 A H2' 1 13 A H8 4.000 3.100 4.900 4.268 4.045 4.410 . 0 0 "[ . 1]" 3
151 1 13 A H3' 1 13 A H8 3.200 2.700 3.700 3.524 3.073 3.755 0.055 9 0 "[ . 1]" 3
152 1 13 A H4' 1 13 A H8 4.200 3.300 5.100 4.433 4.347 4.526 . 0 0 "[ . 1]" 3
153 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.957 4.764 5.084 . 0 0 "[ . 1]" 3
154 1 7 A H2 1 13 A H8 5.000 4.000 6.000 5.181 4.115 6.017 0.017 10 0 "[ . 1]" 3
155 1 12 U H6 1 13 A H8 5.000 4.000 6.000 6.057 5.928 6.185 0.185 3 0 "[ . 1]" 3
156 1 12 U H1' 1 13 A H8 4.100 3.200 5.000 3.772 3.434 5.077 0.077 3 0 "[ . 1]" 3
157 1 12 U H2' 1 13 A H8 5.000 4.000 6.000 5.117 5.010 5.252 . 0 0 "[ . 1]" 3
158 1 12 U H3' 1 13 A H8 3.800 3.100 4.500 3.867 2.981 4.170 0.119 3 0 "[ . 1]" 3
159 1 12 U H4' 1 13 A H8 3.400 2.700 4.100 2.670 2.564 2.819 0.136 3 0 "[ . 1]" 3
160 1 7 A H2 1 13 A H2 5.000 4.000 6.000 4.898 3.972 5.932 0.028 1 0 "[ . 1]" 3
161 1 7 A H2 1 13 A H1' 5.000 4.000 6.000 6.031 6.001 6.052 0.052 3 0 "[ . 1]" 3
162 1 12 U H3' 1 13 A H3' 5.000 4.000 6.000 5.849 4.389 6.066 0.066 1 0 "[ . 1]" 3
163 1 14 A H1' 1 14 A H8 3.700 3.000 4.400 3.792 3.730 3.856 . 0 0 "[ . 1]" 3
164 1 14 A H2' 1 14 A H8 3.800 2.900 4.700 3.817 3.588 4.032 . 0 0 "[ . 1]" 3
165 1 14 A H3' 1 14 A H8 2.800 2.300 3.300 2.677 2.285 3.328 0.028 9 0 "[ . 1]" 3
166 1 14 A H4' 1 14 A H8 3.800 2.900 4.700 4.230 4.132 4.520 . 0 0 "[ . 1]" 3
167 1 14 A H1' 1 14 A H2 4.500 3.500 5.500 4.611 4.514 4.713 . 0 0 "[ . 1]" 3
168 1 14 A H2 1 14 A H2' 5.000 4.000 6.000 5.153 4.840 5.558 . 0 0 "[ . 1]" 3
169 1 13 A H8 1 14 A H8 4.200 3.200 5.200 4.831 4.115 5.243 0.043 7 0 "[ . 1]" 3
170 1 13 A H1' 1 14 A H8 5.000 4.000 6.000 5.458 5.046 5.791 . 0 0 "[ . 1]" 3
171 1 13 A H2' 1 14 A H8 3.000 2.500 3.500 3.105 2.490 3.529 0.029 5 0 "[ . 1]" 3
172 1 13 A H3' 1 14 A H8 3.000 2.500 3.500 2.749 2.472 3.165 0.028 7 0 "[ . 1]" 3
173 1 13 A H4' 1 14 A H8 5.000 4.000 6.000 5.595 5.358 6.008 0.008 5 0 "[ . 1]" 3
174 1 6 U H1' 1 14 A H2 5.000 4.000 6.000 6.026 6.007 6.084 0.084 9 0 "[ . 1]" 3
175 1 7 A H2 1 14 A H2 5.000 4.000 6.000 4.939 4.531 5.356 . 0 0 "[ . 1]" 3
176 1 7 A H1' 1 14 A H2 3.100 2.600 3.600 2.666 2.565 3.127 0.035 10 0 "[ . 1]" 3
177 1 7 A H2' 1 14 A H2 5.000 4.000 6.000 5.083 4.921 5.483 . 0 0 "[ . 1]" 3
178 1 8 A H1' 1 14 A H2 5.000 4.000 6.000 6.039 6.016 6.061 0.061 3 0 "[ . 1]" 3
179 1 13 A H2 1 14 A H2 5.000 4.000 6.000 5.584 4.859 6.082 0.082 9 0 "[ . 1]" 3
180 1 7 A H2 1 14 A H1' 5.000 4.000 6.000 6.035 6.011 6.045 0.045 6 0 "[ . 1]" 3
181 1 13 A H2 1 14 A H1' 3.300 2.800 3.800 2.828 2.761 3.071 0.039 6 0 "[ . 1]" 3
182 1 13 A H1' 1 14 A H1' 5.000 4.000 6.000 5.898 5.543 6.034 0.034 9 0 "[ . 1]" 3
183 1 13 A H2' 1 14 A H1' 5.000 4.000 6.000 3.998 3.953 4.154 0.047 10 0 "[ . 1]" 3
184 1 15 C H1' 1 15 C H6 3.500 2.800 4.200 3.542 3.531 3.563 . 0 0 "[ . 1]" 3
185 1 15 C H2' 1 15 C H6 3.500 3.000 4.000 3.812 3.775 3.936 . 0 0 "[ . 1]" 3
186 1 15 C H3' 1 15 C H6 2.500 2.100 2.900 2.925 2.814 2.962 0.062 5 0 "[ . 1]" 3
187 1 15 C H1' 1 15 C H5 5.000 4.000 6.000 5.297 5.289 5.315 . 0 0 "[ . 1]" 3
188 1 15 C H2' 1 15 C H5 5.000 4.000 6.000 5.278 5.242 5.400 . 0 0 "[ . 1]" 3
189 1 15 C H3' 1 15 C H5 5.000 4.000 6.000 4.802 4.591 4.875 . 0 0 "[ . 1]" 3
190 1 14 A H8 1 15 C H6 5.000 4.000 6.000 4.766 4.255 5.989 . 0 0 "[ . 1]" 3
191 1 14 A H1' 1 15 C H6 3.700 3.000 4.400 4.513 4.473 4.556 0.156 3 0 "[ . 1]" 3
192 1 14 A H2' 1 15 C H6 2.400 . 2.800 2.010 1.968 2.155 0.032 3 0 "[ . 1]" 3
193 1 14 A H3' 1 15 C H6 3.500 2.900 4.100 3.416 3.181 3.883 . 0 0 "[ . 1]" 3
194 1 14 A H4' 1 15 C H6 5.000 4.000 6.000 5.555 5.118 5.694 . 0 0 "[ . 1]" 3
195 1 14 A H8 1 15 C H5 5.000 4.000 6.000 4.538 4.102 5.678 . 0 0 "[ . 1]" 3
196 1 14 A H1' 1 15 C H5 5.000 4.000 6.000 5.896 5.696 6.040 0.040 3 0 "[ . 1]" 3
197 1 14 A H2' 1 15 C H5 3.500 2.800 4.200 3.797 2.893 3.984 . 0 0 "[ . 1]" 3
198 1 14 A H3' 1 15 C H5 5.000 4.000 6.000 4.063 3.970 4.416 0.030 7 0 "[ . 1]" 3
199 1 14 A H2 1 15 C H1' 3.300 2.800 3.800 3.378 2.789 3.819 0.019 9 0 "[ . 1]" 3
200 1 14 A H1' 1 15 C H1' 5.000 4.000 6.000 4.757 4.038 5.091 . 0 0 "[ . 1]" 3
201 1 16 G H1' 1 16 G H8 3.500 2.800 4.200 3.721 3.713 3.749 . 0 0 "[ . 1]" 3
202 1 16 G H2' 1 16 G H8 4.200 3.300 5.100 4.000 3.938 4.027 . 0 0 "[ . 1]" 3
203 1 16 G H3' 1 16 G H8 3.000 2.500 3.500 2.870 2.721 2.905 . 0 0 "[ . 1]" 3
204 1 16 G H4' 1 16 G H8 3.500 2.800 4.200 4.139 4.038 4.251 0.051 3 0 "[ . 1]" 3
205 1 15 C H6 1 16 G H8 5.000 4.000 6.000 5.700 5.573 5.765 . 0 0 "[ . 1]" 3
206 1 15 C H1' 1 16 G H8 3.900 3.000 4.800 4.878 4.846 4.883 0.083 9 0 "[ . 1]" 3
207 1 15 C H2' 1 16 G H8 2.500 2.100 2.900 2.176 2.151 2.186 . 0 0 "[ . 1]" 3
208 1 15 C H3' 1 16 G H8 3.200 2.700 3.700 3.645 3.519 3.759 0.059 3 0 "[ . 1]" 3
209 1 17 G H1' 1 17 G H8 3.800 2.900 4.700 3.652 3.648 3.660 . 0 0 "[ . 1]" 3
210 1 17 G H2' 1 17 G H8 4.200 3.300 5.100 4.114 4.083 4.124 . 0 0 "[ . 1]" 3
211 1 17 G H3' 1 17 G H8 2.900 2.400 3.400 3.267 3.240 3.284 . 0 0 "[ . 1]" 3
212 1 17 G H4' 1 17 G H8 5.000 4.000 6.000 4.346 4.331 4.376 . 0 0 "[ . 1]" 3
213 1 16 G H8 1 17 G H8 5.000 4.000 6.000 4.624 4.433 4.727 . 0 0 "[ . 1]" 3
214 1 16 G H1' 1 17 G H8 3.900 3.000 4.800 4.830 4.817 4.848 0.048 3 0 "[ . 1]" 3
215 1 16 G H2' 1 17 G H8 2.500 2.100 2.900 2.220 2.171 2.252 . 0 0 "[ . 1]" 3
216 1 16 G H3' 1 17 G H8 3.200 2.700 3.700 2.797 2.709 3.032 . 0 0 "[ . 1]" 3
217 1 16 G H2' 1 17 G H1' 4.500 3.000 6.000 3.392 3.298 3.520 . 0 0 "[ . 1]" 3
218 1 18 U H1' 1 18 U H6 3.400 2.700 4.100 3.593 3.592 3.595 . 0 0 "[ . 1]" 3
219 1 18 U H2' 1 18 U H6 3.600 2.900 4.300 3.780 3.773 3.785 . 0 0 "[ . 1]" 3
220 1 18 U H3' 1 18 U H6 3.400 2.700 4.100 2.672 2.668 2.676 0.032 8 0 "[ . 1]" 3
221 1 18 U H4' 1 18 U H6 4.500 3.000 6.000 3.854 3.845 3.883 . 0 0 "[ . 1]" 3
222 1 17 G H8 1 18 U H6 5.000 4.000 6.000 5.823 5.770 5.850 . 0 0 "[ . 1]" 3
223 1 17 G H1' 1 18 U H6 5.000 4.000 6.000 5.065 5.062 5.072 . 0 0 "[ . 1]" 3
224 1 17 G H2' 1 18 U H6 2.500 2.100 2.900 2.273 2.269 2.276 . 0 0 "[ . 1]" 3
225 1 17 G H3' 1 18 U H6 3.100 2.600 3.600 3.368 3.350 3.387 . 0 0 "[ . 1]" 3
226 1 17 G H1' 1 18 U H5 5.000 4.000 6.000 5.716 5.691 5.764 . 0 0 "[ . 1]" 3
227 1 17 G H2' 1 18 U H5 3.700 3.000 4.400 3.249 3.227 3.289 . 0 0 "[ . 1]" 3
228 1 17 G H3' 1 18 U H5 3.500 2.800 4.200 3.144 3.103 3.243 . 0 0 "[ . 1]" 3
229 1 17 G H8 1 18 U H5 4.100 3.200 5.000 4.890 4.860 4.913 . 0 0 "[ . 1]" 3
230 1 17 G H1' 1 18 U H1' 5.000 4.000 6.000 5.908 5.857 5.942 . 0 0 "[ . 1]" 3
231 1 17 G H2' 1 18 U H1' 4.000 3.100 4.900 4.197 4.166 4.219 . 0 0 "[ . 1]" 3
232 1 19 C H1' 1 19 C H6 3.400 2.700 4.100 3.614 3.613 3.616 . 0 0 "[ . 1]" 3
233 1 19 C H2' 1 19 C H6 3.000 2.500 3.500 3.585 3.583 3.586 0.086 2 0 "[ . 1]" 3
234 1 19 C H3' 1 19 C H6 2.500 2.100 2.900 2.205 2.201 2.208 . 0 0 "[ . 1]" 3
235 1 19 C H4' 1 19 C H6 3.500 2.800 4.200 3.742 3.740 3.744 . 0 0 "[ . 1]" 3
236 1 19 C H2' 1 19 C H5 4.000 3.100 4.900 5.024 5.023 5.025 0.125 2 0 "[ . 1]" 3
237 1 19 C H3' 1 19 C H5 3.300 2.800 3.800 3.984 3.983 3.986 0.186 4 0 "[ . 1]" 3
238 1 18 U H6 1 19 C H6 5.000 4.000 6.000 5.887 5.874 5.899 . 0 0 "[ . 1]" 3
239 1 18 U H2' 1 19 C H5 3.100 2.600 3.600 2.980 2.976 2.986 . 0 0 "[ . 1]" 3
240 1 18 U H1' 1 19 C H6 4.000 3.100 4.900 4.918 4.914 4.922 0.022 4 0 "[ . 1]" 3
241 1 18 U H2' 1 19 C H6 2.500 2.100 2.900 2.334 2.330 2.338 . 0 0 "[ . 1]" 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 24
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 25.790
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0266
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.177 0.019 5 0 "[ . 1]"
1 2 G 1.114 0.052 7 0 "[ . 1]"
1 3 C 0.329 0.023 5 0 "[ . 1]"
1 4 C 0.406 0.049 9 0 "[ . 1]"
1 5 G 0.553 0.065 3 0 "[ . 1]"
1 15 C 0.553 0.065 3 0 "[ . 1]"
1 16 G 0.406 0.049 9 0 "[ . 1]"
1 17 G 0.329 0.023 5 0 "[ . 1]"
1 18 U 1.114 0.052 7 0 "[ . 1]"
1 19 C 0.177 0.019 5 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 G C1' 1 19 C C1' 10.700 10.500 10.900 10.701 10.684 10.719 . 0 0 "[ . 1]" 4
2 1 1 G C8 1 19 C C6 9.700 9.500 9.900 9.869 9.861 9.886 . 0 0 "[ . 1]" 4
3 1 2 G C1' 1 18 U C1' 10.700 10.500 10.900 10.510 10.502 10.517 . 0 0 "[ . 1]" 4
4 1 2 G C8 1 18 U C6 9.700 9.500 9.900 9.951 9.949 9.952 0.052 7 0 "[ . 1]" 4
5 1 3 C C1' 1 17 G C1' 10.700 10.500 10.900 10.555 10.541 10.575 . 0 0 "[ . 1]" 4
6 1 3 C C6 1 17 G C8 9.700 9.500 9.900 9.884 9.878 9.896 . 0 0 "[ . 1]" 4
7 1 4 C C1' 1 16 G C1' 10.700 10.500 10.900 10.773 10.734 10.823 . 0 0 "[ . 1]" 4
8 1 4 C C6 1 16 G C8 9.700 9.500 9.900 9.845 9.775 9.936 0.036 3 0 "[ . 1]" 4
9 1 5 G C1' 1 15 C C1' 10.700 10.500 10.900 10.727 10.470 10.809 0.030 3 0 "[ . 1]" 4
10 1 5 G C8 1 15 C C6 9.700 9.500 9.900 9.928 9.870 9.946 0.046 8 0 "[ . 1]" 4
11 1 1 G N1 1 19 C N3 2.700 2.500 2.900 2.916 2.911 2.919 0.019 5 0 "[ . 1]" 4
12 1 1 G O6 1 19 C N4 2.700 2.500 2.900 2.901 2.896 2.904 0.004 4 0 "[ . 1]" 4
13 1 1 G N2 1 19 C O2 2.800 2.600 3.000 2.812 2.800 2.827 . 0 0 "[ . 1]" 4
14 1 2 G N1 1 18 U O2 3.100 2.900 3.300 2.885 2.879 2.887 0.021 8 0 "[ . 1]" 4
15 1 2 G O6 1 18 U N3 2.900 2.700 3.100 3.145 3.143 3.149 0.049 3 0 "[ . 1]" 4
16 1 3 C N3 1 17 G N1 2.700 2.500 2.900 2.821 2.814 2.831 . 0 0 "[ . 1]" 4
17 1 3 C N4 1 17 G O6 2.700 2.500 2.900 2.921 2.920 2.923 0.023 5 0 "[ . 1]" 4
18 1 3 C O2 1 17 G N2 2.800 2.600 3.000 2.589 2.581 2.600 0.019 8 0 "[ . 1]" 4
19 1 4 C N3 1 16 G N1 2.700 2.500 2.900 2.937 2.930 2.949 0.049 9 0 "[ . 1]" 4
20 1 4 C N4 1 16 G O6 2.700 2.500 2.900 2.842 2.817 2.882 . 0 0 "[ . 1]" 4
21 1 4 C O2 1 16 G N2 2.800 2.600 3.000 2.920 2.872 2.977 . 0 0 "[ . 1]" 4
22 1 5 G N1 1 15 C N3 2.700 2.500 2.900 2.892 2.803 2.920 0.020 1 0 "[ . 1]" 4
23 1 5 G O6 1 15 C N4 2.700 2.500 2.900 2.883 2.835 2.965 0.065 3 0 "[ . 1]" 4
24 1 5 G N2 1 15 C O2 2.800 2.600 3.000 2.768 2.538 2.867 0.062 3 0 "[ . 1]" 4
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 4:12:59 AM GMT (wattos1)