NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584411 |
2mb2   |
19386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mb2
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 301
_Distance_constraint_stats_list.Viol_count 333
_Distance_constraint_stats_list.Viol_total 187.486
_Distance_constraint_stats_list.Viol_max 0.402
_Distance_constraint_stats_list.Viol_rms 0.0263
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0563
_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 DT 3.249 0.257 2 0 "[ . 1]"
1 2 DT 5.480 0.206 4 0 "[ . 1]"
1 3 DG 3.495 0.206 4 0 "[ . 1]"
1 4 DG 0.944 0.123 1 0 "[ . 1]"
1 5 DG 0.195 0.036 3 0 "[ . 1]"
1 6 DG 0.043 0.036 3 0 "[ . 1]"
1 7 DG 2.367 0.257 2 0 "[ . 1]"
1 8 DG 0.844 0.100 6 0 "[ . 1]"
1 9 DG 1.059 0.115 9 0 "[ . 1]"
1 10 DG 0.000 0.000 . 0 "[ . 1]"
1 11 DG 1.385 0.100 6 0 "[ . 1]"
1 12 DG 2.145 0.115 9 0 "[ . 1]"
1 13 DG 0.338 0.066 2 0 "[ . 1]"
1 14 DG 0.071 0.030 8 0 "[ . 1]"
1 15 DG 0.817 0.072 2 0 "[ . 1]"
1 16 DG 0.746 0.071 3 0 "[ . 1]"
1 17 DG 1.688 0.077 1 0 "[ . 1]"
1 18 DT 3.658 0.402 6 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 DT C7 1 7 DG H1' 5.500 4.000 7.500 5.565 4.678 6.516 . 0 0 "[ . 1]" 1
2 1 1 DT C7 1 11 DG H8 5.500 4.000 7.500 7.219 6.848 7.517 0.017 9 0 "[ . 1]" 1
3 1 1 DT H1' 1 1 DT H6 3.750 3.000 5.000 3.723 3.703 3.734 . 0 0 "[ . 1]" 1
4 1 1 DT H2'' 1 1 DT H6 3.750 2.500 5.000 3.830 3.595 4.046 . 0 0 "[ . 1]" 1
5 1 1 DT H2'' 1 2 DT H5'' 5.500 4.000 7.000 5.960 4.381 6.487 . 0 0 "[ . 1]" 1
6 1 1 DT H2'' 1 2 DT H6 5.500 4.000 7.000 3.991 3.885 4.153 0.115 1 0 "[ . 1]" 1
7 1 1 DT H2' 1 1 DT H6 2.000 . 3.000 2.420 2.195 2.651 . 0 0 "[ . 1]" 1
8 1 1 DT H3' 1 1 DT H6 3.750 2.500 5.000 4.148 4.039 4.258 . 0 0 "[ . 1]" 1
9 1 1 DT H3' 1 2 DT H6 3.750 2.500 5.000 5.025 4.700 5.113 0.113 1 0 "[ . 1]" 1
10 1 1 DT H4' 1 1 DT H6 5.500 4.000 7.000 4.517 4.431 4.597 . 0 0 "[ . 1]" 1
11 1 1 DT H4' 1 2 DT H6 5.500 4.000 7.000 4.668 3.963 5.176 0.037 9 0 "[ . 1]" 1
12 1 1 DT H4' 1 2 DT H5'' 3.750 2.500 5.000 4.757 4.256 5.129 0.129 1 0 "[ . 1]" 1
13 1 1 DT H1' 1 1 DT Q5' 5.500 4.000 7.000 4.111 4.035 4.261 . 0 0 "[ . 1]" 1
14 1 1 DT H3' 1 1 DT Q5' 3.750 2.500 5.000 2.427 2.290 2.565 0.210 10 0 "[ . 1]" 1
15 1 1 DT Q5' 1 1 DT H6 3.750 2.500 5.000 3.107 2.756 3.904 . 0 0 "[ . 1]" 1
16 1 1 DT Q5' 1 2 DT H6 5.500 4.000 7.000 6.117 5.518 6.303 . 0 0 "[ . 1]" 1
17 1 1 DT Q5' 1 7 DG H8 5.500 4.000 7.000 4.529 3.743 5.381 0.257 2 0 "[ . 1]" 1
18 1 2 DT C7 1 2 DT H1' 5.500 4.000 7.500 5.729 5.527 5.827 . 0 0 "[ . 1]" 1
19 1 2 DT C7 1 15 DG H1' 5.500 4.000 7.500 6.590 5.862 7.131 . 0 0 "[ . 1]" 1
20 1 2 DT C7 1 15 DG H8 5.500 4.000 7.500 7.140 6.116 7.416 . 0 0 "[ . 1]" 1
21 1 2 DT H1' 1 2 DT H6 3.750 3.000 5.000 3.605 3.313 3.739 . 0 0 "[ . 1]" 1
22 1 2 DT H1' 1 3 DG H8 5.500 4.000 7.000 3.909 3.878 3.954 0.122 5 0 "[ . 1]" 1
23 1 2 DT H2'' 1 2 DT H6 3.750 2.500 5.000 4.352 3.973 4.677 . 0 0 "[ . 1]" 1
24 1 2 DT H2'' 1 3 DG H8 5.500 4.000 7.000 5.760 5.605 6.023 . 0 0 "[ . 1]" 1
25 1 2 DT H2' 1 2 DT H6 3.750 2.500 5.000 3.116 2.478 3.877 0.022 6 0 "[ . 1]" 1
26 1 2 DT H2' 1 3 DG H8 5.500 4.000 7.000 5.763 5.295 6.577 . 0 0 "[ . 1]" 1
27 1 2 DT H3' 1 2 DT H6 3.750 2.500 5.000 4.574 4.159 4.956 . 0 0 "[ . 1]" 1
28 1 2 DT H3' 1 3 DG H8 5.500 4.000 7.000 5.409 5.010 6.385 . 0 0 "[ . 1]" 1
29 1 2 DT H1' 1 2 DT H4' 3.750 2.500 5.000 3.312 2.844 3.482 . 0 0 "[ . 1]" 1
30 1 2 DT H4' 1 2 DT H6 5.500 4.000 7.000 4.155 3.979 4.286 0.021 1 0 "[ . 1]" 1
31 1 2 DT H4' 1 3 DG H8 3.750 2.500 5.000 2.784 2.434 3.702 0.066 1 0 "[ . 1]" 1
32 1 1 DT H1' 1 2 DT H5'' 5.500 4.000 7.000 6.205 5.292 6.671 . 0 0 "[ . 1]" 1
33 1 2 DT H1' 1 2 DT H5'' 5.500 4.000 7.000 4.817 4.224 4.991 . 0 0 "[ . 1]" 1
34 1 2 DT H5'' 1 3 DG H3' 5.500 4.000 7.000 6.436 6.004 7.014 0.014 8 0 "[ . 1]" 1
35 1 2 DT H5'' 1 2 DT H6 3.750 2.500 5.000 3.978 2.465 5.083 0.083 9 0 "[ . 1]" 1
36 1 2 DT H5'' 1 3 DG H8 5.500 4.000 7.000 4.943 4.343 5.688 . 0 0 "[ . 1]" 1
37 1 1 DT H1' 1 2 DT H5' 5.500 4.000 7.000 5.218 4.783 6.542 . 0 0 "[ . 1]" 1
38 1 2 DT H3' 1 2 DT H5' 3.750 2.500 5.000 3.405 2.465 3.650 0.035 1 0 "[ . 1]" 1
39 1 2 DT H4' 1 2 DT H5' 3.750 2.500 5.000 2.446 2.416 2.497 0.084 3 0 "[ . 1]" 1
40 1 2 DT H5' 1 2 DT H6 5.500 3.500 7.000 3.554 3.361 4.034 0.139 6 0 "[ . 1]" 1
41 1 2 DT H5' 1 3 DG H3' 5.500 4.000 7.000 6.137 5.319 7.011 0.011 9 0 "[ . 1]" 1
42 1 2 DT H5' 1 3 DG H8 5.500 4.000 7.000 4.192 3.960 4.952 0.040 10 0 "[ . 1]" 1
43 1 3 DG H1' 1 3 DG H8 3.750 2.500 5.000 3.897 3.887 3.911 . 0 0 "[ . 1]" 1
44 1 3 DG H1' 1 4 DG H8 3.750 2.500 5.000 3.260 2.877 3.565 . 0 0 "[ . 1]" 1
45 1 3 DG H2'' 1 3 DG H8 3.750 2.500 5.000 3.855 3.713 4.160 . 0 0 "[ . 1]" 1
46 1 3 DG H2'' 1 4 DG H8 3.750 2.500 5.000 2.498 2.470 2.531 0.030 9 0 "[ . 1]" 1
47 1 3 DG H2' 1 3 DG H8 2.000 . 3.000 2.306 2.176 2.606 . 0 0 "[ . 1]" 1
48 1 3 DG H2' 1 4 DG H8 3.750 2.500 5.000 3.397 3.176 3.544 . 0 0 "[ . 1]" 1
49 1 3 DG H1' 1 3 DG H3' 3.750 2.500 5.000 3.881 3.841 3.915 . 0 0 "[ . 1]" 1
50 1 3 DG H3' 1 3 DG H8 3.750 2.500 5.000 4.217 4.123 4.414 . 0 0 "[ . 1]" 1
51 1 3 DG H3' 1 4 DG H8 5.500 4.000 7.000 5.080 4.841 5.215 . 0 0 "[ . 1]" 1
52 1 3 DG H4' 1 3 DG H8 5.500 4.000 7.000 4.815 4.657 4.972 . 0 0 "[ . 1]" 1
53 1 3 DG H5'' 1 3 DG H8 3.750 2.500 5.000 3.913 2.456 5.090 0.090 1 0 "[ . 1]" 1
54 1 3 DG H5' 1 3 DG H8 3.750 2.500 5.000 4.350 4.115 4.678 . 0 0 "[ . 1]" 1
55 1 4 DG H1' 1 4 DG H8 3.750 2.500 5.000 3.908 3.904 3.911 . 0 0 "[ . 1]" 1
56 1 4 DG H1' 1 5 DG H8 3.750 2.500 5.000 3.830 3.680 4.003 . 0 0 "[ . 1]" 1
57 1 3 DG H1' 1 4 DG H2'' 5.500 4.000 7.000 6.196 5.821 6.508 . 0 0 "[ . 1]" 1
58 1 4 DG H2'' 1 4 DG H8 3.750 2.500 5.000 4.183 4.122 4.240 . 0 0 "[ . 1]" 1
59 1 4 DG H2'' 1 5 DG H8 3.750 2.500 5.000 2.487 2.465 2.500 0.035 6 0 "[ . 1]" 1
60 1 4 DG H2' 1 4 DG H8 3.750 2.500 5.000 2.695 2.662 2.749 . 0 0 "[ . 1]" 1
61 1 4 DG H3' 1 4 DG H8 3.750 2.500 5.000 4.336 4.244 4.419 . 0 0 "[ . 1]" 1
62 1 4 DG H3' 1 5 DG H8 5.500 4.000 7.000 5.097 4.982 5.169 . 0 0 "[ . 1]" 1
63 1 4 DG H4' 1 4 DG H8 5.500 4.000 7.000 4.851 4.834 4.867 . 0 0 "[ . 1]" 1
64 1 4 DG H4' 1 5 DG H8 5.500 4.000 7.000 6.072 6.012 6.178 . 0 0 "[ . 1]" 1
65 1 3 DG H1' 1 4 DG H5'' 3.750 2.500 5.500 4.415 4.202 4.651 . 0 0 "[ . 1]" 1
66 1 4 DG H1' 1 4 DG H5'' 5.500 4.000 7.000 4.889 4.864 4.904 . 0 0 "[ . 1]" 1
67 1 4 DG H3' 1 4 DG H5'' 3.750 2.500 5.000 2.588 2.553 2.640 . 0 0 "[ . 1]" 1
68 1 4 DG H5'' 1 4 DG H8 5.500 4.000 7.000 5.146 5.085 5.230 . 0 0 "[ . 1]" 1
69 1 3 DG H1' 1 4 DG H5' 3.750 2.500 5.500 2.850 2.633 3.079 . 0 0 "[ . 1]" 1
70 1 4 DG H1' 1 4 DG H5' 5.500 4.000 7.000 4.558 4.521 4.580 . 0 0 "[ . 1]" 1
71 1 4 DG H3' 1 4 DG H5' 3.750 2.500 5.000 3.635 3.632 3.636 . 0 0 "[ . 1]" 1
72 1 4 DG H5' 1 4 DG H8 5.500 4.000 7.000 4.462 4.406 4.559 . 0 0 "[ . 1]" 1
73 1 3 DG H8 1 4 DG H8 3.750 2.500 5.000 4.489 4.203 4.719 . 0 0 "[ . 1]" 1
74 1 5 DG H1' 1 5 DG H8 3.750 2.500 5.000 3.910 3.895 3.916 . 0 0 "[ . 1]" 1
75 1 5 DG H2'' 1 5 DG H8 3.750 2.500 5.000 4.080 3.956 4.268 . 0 0 "[ . 1]" 1
76 1 5 DG H2' 1 5 DG H8 2.000 . 3.000 2.628 2.469 2.828 . 0 0 "[ . 1]" 1
77 1 5 DG H3' 1 5 DG H8 5.500 4.000 7.000 4.365 4.183 4.531 . 0 0 "[ . 1]" 1
78 1 4 DG H1' 1 5 DG H4' 5.500 4.000 7.000 4.839 4.566 5.183 . 0 0 "[ . 1]" 1
79 1 5 DG H4' 1 5 DG H8 5.500 4.000 7.000 4.858 4.791 4.913 . 0 0 "[ . 1]" 1
80 1 4 DG H1' 1 5 DG H5'' 3.750 2.500 5.500 4.730 4.430 4.961 . 0 0 "[ . 1]" 1
81 1 5 DG H1' 1 5 DG H5'' 5.500 4.000 7.000 4.916 4.888 4.935 . 0 0 "[ . 1]" 1
82 1 5 DG H5'' 1 5 DG H8 5.500 4.000 7.000 5.027 4.948 5.106 . 0 0 "[ . 1]" 1
83 1 4 DG H1' 1 5 DG H5' 3.750 2.500 5.500 3.097 2.783 3.355 . 0 0 "[ . 1]" 1
84 1 5 DG H1' 1 5 DG H5' 5.500 4.000 7.000 4.604 4.551 4.642 . 0 0 "[ . 1]" 1
85 1 5 DG H5' 1 5 DG H8 5.500 4.000 7.000 4.409 4.362 4.454 . 0 0 "[ . 1]" 1
86 1 6 DG H1' 1 6 DG H8 3.750 3.000 5.000 3.877 3.664 3.920 . 0 0 "[ . 1]" 1
87 1 6 DG H2'' 1 6 DG H8 3.750 2.500 5.000 3.636 2.744 4.371 . 0 0 "[ . 1]" 1
88 1 5 DG H5'' 1 6 DG H2' 5.500 4.000 7.000 5.221 3.993 6.117 0.007 3 0 "[ . 1]" 1
89 1 5 DG H5' 1 6 DG H2' 5.500 4.000 7.000 5.700 4.231 6.957 . 0 0 "[ . 1]" 1
90 1 6 DG H2' 1 6 DG H8 2.000 . 3.000 2.367 2.181 2.986 . 0 0 "[ . 1]" 1
91 1 5 DG H4' 1 6 DG H3' 3.750 2.500 5.000 3.774 2.464 4.767 0.036 3 0 "[ . 1]" 1
92 1 6 DG H3' 1 6 DG H8 3.750 2.500 5.000 4.374 4.254 4.540 . 0 0 "[ . 1]" 1
93 1 6 DG H1' 1 6 DG H4' 3.750 2.500 5.000 2.987 2.782 3.151 . 0 0 "[ . 1]" 1
94 1 6 DG H4' 1 6 DG H8 5.500 4.000 7.000 5.077 4.769 5.548 . 0 0 "[ . 1]" 1
95 1 6 DG Q5' 1 6 DG H8 3.750 2.500 5.000 3.947 3.041 4.423 . 0 0 "[ . 1]" 1
96 1 7 DG H1' 1 7 DG H8 3.750 2.500 5.000 3.803 3.753 3.897 . 0 0 "[ . 1]" 1
97 1 7 DG H1' 1 8 DG H8 3.750 2.500 5.000 4.162 3.601 4.396 . 0 0 "[ . 1]" 1
98 1 7 DG H2'' 1 7 DG H8 5.500 4.000 7.000 4.657 4.368 4.751 . 0 0 "[ . 1]" 1
99 1 7 DG H2'' 1 8 DG H8 3.750 2.500 5.000 2.481 2.452 2.494 0.048 8 0 "[ . 1]" 1
100 1 7 DG H2' 1 7 DG H8 3.750 2.500 5.000 3.309 2.798 3.510 . 0 0 "[ . 1]" 1
101 1 7 DG H2' 1 8 DG H8 3.750 2.500 5.000 2.803 2.496 3.341 0.004 7 0 "[ . 1]" 1
102 1 7 DG H3' 1 7 DG H8 5.500 4.000 7.000 4.579 4.462 4.735 . 0 0 "[ . 1]" 1
103 1 7 DG H3' 1 8 DG H8 5.500 4.000 7.000 4.510 4.332 4.780 . 0 0 "[ . 1]" 1
104 1 7 DG H1' 1 7 DG H4' 3.750 2.500 5.000 2.893 2.732 3.233 . 0 0 "[ . 1]" 1
105 1 7 DG H4' 1 7 DG H8 5.500 4.000 7.000 4.620 4.576 4.699 . 0 0 "[ . 1]" 1
106 1 7 DG H5'' 1 7 DG H8 3.000 . 4.000 4.015 3.826 4.056 0.056 1 0 "[ . 1]" 1
107 1 7 DG H5' 1 7 DG H8 3.000 . 4.000 3.523 2.893 3.829 . 0 0 "[ . 1]" 1
108 1 8 DG H1' 1 8 DG H8 3.750 2.500 5.000 3.909 3.903 3.912 . 0 0 "[ . 1]" 1
109 1 8 DG H1' 1 9 DG H8 3.750 2.500 5.000 3.900 3.662 4.150 . 0 0 "[ . 1]" 1
110 1 8 DG H2'' 1 9 DG H8 3.750 2.500 5.000 2.498 2.482 2.546 0.018 10 0 "[ . 1]" 1
111 1 8 DG H2' 1 8 DG H8 3.750 2.500 5.000 2.705 2.660 2.784 . 0 0 "[ . 1]" 1
112 1 8 DG H3' 1 8 DG H8 3.750 2.500 5.000 4.360 4.244 4.429 . 0 0 "[ . 1]" 1
113 1 8 DG H3' 1 9 DG H8 5.500 4.000 7.000 5.074 4.932 5.151 . 0 0 "[ . 1]" 1
114 1 7 DG H1' 1 8 DG H4' 5.500 4.000 7.000 5.681 5.411 5.787 . 0 0 "[ . 1]" 1
115 1 8 DG H1' 1 8 DG H4' 3.750 2.500 5.000 2.864 2.791 2.917 . 0 0 "[ . 1]" 1
116 1 8 DG H4' 1 8 DG H8 5.500 4.000 7.000 4.863 4.835 4.882 . 0 0 "[ . 1]" 1
117 1 7 DG H1' 1 8 DG H5'' 5.500 4.000 7.000 5.515 5.339 5.600 . 0 0 "[ . 1]" 1
118 1 8 DG H5'' 1 8 DG H8 5.500 4.000 7.000 5.161 5.039 5.251 . 0 0 "[ . 1]" 1
119 1 7 DG H1' 1 8 DG H5' 5.500 4.000 7.000 3.955 3.927 3.974 0.073 3 0 "[ . 1]" 1
120 1 8 DG H5' 1 8 DG H8 5.500 4.000 7.000 4.556 4.503 4.644 . 0 0 "[ . 1]" 1
121 1 9 DG H1' 1 9 DG H8 5.500 4.000 7.000 3.925 3.915 3.930 0.085 8 0 "[ . 1]" 1
122 1 9 DG H2'' 1 9 DG H8 3.750 2.500 5.000 4.083 3.965 4.250 . 0 0 "[ . 1]" 1
123 1 9 DG H2' 1 9 DG H8 2.000 . 3.000 2.650 2.540 2.816 . 0 0 "[ . 1]" 1
124 1 9 DG H3' 1 9 DG H8 5.500 4.000 7.000 4.421 4.353 4.513 . 0 0 "[ . 1]" 1
125 1 8 DG H1' 1 9 DG H4' 5.500 4.000 7.000 4.727 4.495 5.048 . 0 0 "[ . 1]" 1
126 1 9 DG H1' 1 9 DG H4' 3.750 2.500 5.000 2.921 2.836 3.001 . 0 0 "[ . 1]" 1
127 1 9 DG H4' 1 9 DG H8 5.500 4.000 7.000 4.901 4.849 4.945 . 0 0 "[ . 1]" 1
128 1 8 DG H1' 1 9 DG H5'' 3.750 2.500 5.500 4.606 4.479 4.840 . 0 0 "[ . 1]" 1
129 1 9 DG H5'' 1 9 DG H8 5.500 4.000 7.000 5.161 5.067 5.238 . 0 0 "[ . 1]" 1
130 1 8 DG H1' 1 9 DG H5' 3.750 2.500 5.500 2.946 2.803 3.205 . 0 0 "[ . 1]" 1
131 1 9 DG H5' 1 9 DG H8 5.500 4.000 7.000 4.484 4.420 4.576 . 0 0 "[ . 1]" 1
132 1 10 DG H1' 1 10 DG H8 3.750 3.000 5.000 3.901 3.851 3.918 . 0 0 "[ . 1]" 1
133 1 10 DG H2'' 1 10 DG H8 3.750 2.500 5.000 3.664 3.113 4.177 . 0 0 "[ . 1]" 1
134 1 9 DG H5'' 1 10 DG H2' 5.500 4.000 7.000 5.063 4.178 6.328 . 0 0 "[ . 1]" 1
135 1 9 DG H5' 1 10 DG H2' 5.500 4.000 7.000 5.642 4.654 6.996 . 0 0 "[ . 1]" 1
136 1 10 DG H2' 1 10 DG H8 2.000 . 3.000 2.348 2.145 2.746 . 0 0 "[ . 1]" 1
137 1 9 DG H4' 1 10 DG H3' 3.750 2.500 5.000 3.492 2.748 4.354 . 0 0 "[ . 1]" 1
138 1 10 DG H3' 1 10 DG H8 3.750 2.500 5.000 4.350 4.267 4.456 . 0 0 "[ . 1]" 1
139 1 10 DG H1' 1 10 DG H4' 3.750 2.500 5.000 3.000 2.858 3.172 . 0 0 "[ . 1]" 1
140 1 10 DG H4' 1 10 DG H8 5.500 4.000 7.000 5.052 4.853 5.323 . 0 0 "[ . 1]" 1
141 1 10 DG Q5' 1 10 DG H8 3.750 2.500 5.000 3.605 3.185 4.413 . 0 0 "[ . 1]" 1
142 1 11 DG H1' 1 11 DG H8 3.750 2.500 5.000 3.778 3.523 3.853 . 0 0 "[ . 1]" 1
143 1 11 DG H1' 1 12 DG H8 3.750 2.500 5.000 4.310 3.825 5.076 0.076 7 0 "[ . 1]" 1
144 1 11 DG H2'' 1 11 DG H8 3.750 2.500 5.000 4.706 4.565 4.981 . 0 0 "[ . 1]" 1
145 1 11 DG H2'' 1 12 DG H8 3.750 2.500 5.000 2.785 2.438 4.083 0.062 2 0 "[ . 1]" 1
146 1 11 DG H2' 1 11 DG H8 3.750 2.500 5.000 3.472 3.089 4.424 . 0 0 "[ . 1]" 1
147 1 11 DG H2' 1 12 DG H8 3.750 2.500 5.000 2.638 2.435 2.957 0.065 7 0 "[ . 1]" 1
148 1 11 DG H3' 1 11 DG H8 3.750 2.500 5.000 4.450 3.332 4.719 . 0 0 "[ . 1]" 1
149 1 11 DG H3' 1 12 DG H8 3.750 2.500 5.000 4.099 2.506 4.619 . 0 0 "[ . 1]" 1
150 1 11 DG H1' 1 11 DG H4' 3.750 2.500 5.000 3.152 2.769 3.805 . 0 0 "[ . 1]" 1
151 1 11 DG H4' 1 11 DG H8 5.500 4.000 7.000 4.479 4.052 4.656 . 0 0 "[ . 1]" 1
152 1 11 DG H5'' 1 11 DG H8 3.000 . 4.000 3.632 2.211 4.052 0.052 9 0 "[ . 1]" 1
153 1 11 DG H5' 1 11 DG H8 3.000 . 4.000 3.230 2.187 3.806 . 0 0 "[ . 1]" 1
154 1 12 DG H1' 1 12 DG H8 5.500 4.000 7.000 3.917 3.907 3.923 0.093 6 0 "[ . 1]" 1
155 1 12 DG H1' 1 13 DG H8 3.750 2.500 5.000 3.959 3.432 4.205 . 0 0 "[ . 1]" 1
156 1 12 DG H2'' 1 12 DG H8 3.750 2.500 5.000 4.258 4.184 4.371 . 0 0 "[ . 1]" 1
157 1 12 DG H2'' 1 13 DG H8 3.750 2.500 5.000 2.492 2.454 2.569 0.046 1 0 "[ . 1]" 1
158 1 12 DG H2' 1 12 DG H8 3.750 2.500 5.000 2.746 2.626 2.873 . 0 0 "[ . 1]" 1
159 1 12 DG H3' 1 12 DG H8 5.500 4.000 7.000 4.271 4.146 4.503 . 0 0 "[ . 1]" 1
160 1 12 DG H3' 1 13 DG H8 5.500 4.000 7.000 4.980 4.913 5.125 . 0 0 "[ . 1]" 1
161 1 12 DG H1' 1 12 DG H4' 3.750 2.500 5.000 2.859 2.747 3.246 . 0 0 "[ . 1]" 1
162 1 12 DG H4' 1 12 DG H8 5.500 4.000 7.000 4.844 4.753 4.892 . 0 0 "[ . 1]" 1
163 1 11 DG H1' 1 12 DG H5'' 5.500 4.000 7.000 5.645 5.359 6.462 . 0 0 "[ . 1]" 1
164 1 12 DG H1' 1 12 DG H5'' 5.500 4.000 7.000 4.882 4.846 4.978 . 0 0 "[ . 1]" 1
165 1 12 DG H5'' 1 12 DG H8 5.500 4.000 7.000 5.138 4.593 5.270 . 0 0 "[ . 1]" 1
166 1 11 DG H1' 1 12 DG H5' 5.500 4.000 7.000 4.068 3.932 4.737 0.068 5 0 "[ . 1]" 1
167 1 12 DG H5' 1 12 DG H8 5.500 4.000 7.000 4.549 4.056 4.770 . 0 0 "[ . 1]" 1
168 1 13 DG H1' 1 13 DG H8 3.750 2.500 5.000 3.908 3.897 3.917 . 0 0 "[ . 1]" 1
169 1 13 DG H2'' 1 13 DG H8 3.750 2.500 5.000 4.118 3.935 4.265 . 0 0 "[ . 1]" 1
170 1 13 DG H2' 1 13 DG H8 3.750 2.500 5.000 2.668 2.495 2.813 0.005 10 0 "[ . 1]" 1
171 1 13 DG H3' 1 13 DG H8 5.500 4.000 7.000 4.325 4.099 4.519 . 0 0 "[ . 1]" 1
172 1 12 DG H1' 1 13 DG H4' 5.500 4.000 7.000 4.914 4.669 5.205 . 0 0 "[ . 1]" 1
173 1 13 DG H1' 1 13 DG H4' 3.750 2.500 5.000 2.947 2.850 3.055 . 0 0 "[ . 1]" 1
174 1 13 DG H4' 1 13 DG H8 5.500 4.000 7.000 4.850 4.793 4.918 . 0 0 "[ . 1]" 1
175 1 12 DG H1' 1 13 DG H5'' 3.750 2.500 5.500 4.926 4.720 5.092 . 0 0 "[ . 1]" 1
176 1 13 DG H5'' 1 13 DG H8 5.500 4.000 7.000 5.054 4.965 5.114 . 0 0 "[ . 1]" 1
177 1 12 DG H1' 1 13 DG H5' 3.750 2.500 5.500 3.275 3.033 3.494 . 0 0 "[ . 1]" 1
178 1 13 DG H5' 1 13 DG H8 5.500 4.000 7.000 4.454 4.365 4.511 . 0 0 "[ . 1]" 1
179 1 14 DG H1' 1 14 DG H8 3.750 3.000 5.000 3.885 3.732 3.917 . 0 0 "[ . 1]" 1
180 1 14 DG H2'' 1 14 DG H8 3.750 2.500 5.000 3.552 2.801 3.940 . 0 0 "[ . 1]" 1
181 1 13 DG H5'' 1 14 DG H2' 5.500 4.000 7.000 5.628 4.088 6.687 . 0 0 "[ . 1]" 1
182 1 13 DG H5' 1 14 DG H2' 5.500 4.000 7.000 6.070 4.224 7.030 0.030 8 0 "[ . 1]" 1
183 1 14 DG H2' 1 14 DG H8 2.000 . 3.000 2.256 2.153 2.522 . 0 0 "[ . 1]" 1
184 1 13 DG H4' 1 14 DG H3' 3.750 2.500 5.000 3.720 2.472 4.801 0.028 3 0 "[ . 1]" 1
185 1 14 DG H3' 1 14 DG H8 3.750 2.500 5.000 4.308 4.213 4.507 . 0 0 "[ . 1]" 1
186 1 14 DG H1' 1 14 DG H4' 3.750 2.500 5.000 2.983 2.837 3.341 . 0 0 "[ . 1]" 1
187 1 14 DG H4' 1 14 DG H8 5.500 4.000 7.000 5.114 4.887 5.497 . 0 0 "[ . 1]" 1
188 1 14 DG Q5' 1 14 DG H8 3.750 2.500 5.000 3.747 2.836 4.525 . 0 0 "[ . 1]" 1
189 1 15 DG H1' 1 15 DG H8 3.750 2.500 5.000 3.841 3.786 3.886 . 0 0 "[ . 1]" 1
190 1 15 DG H1' 1 16 DG H8 3.750 2.500 5.000 4.057 3.457 4.295 . 0 0 "[ . 1]" 1
191 1 15 DG H2'' 1 15 DG H8 3.750 2.500 5.000 4.499 4.391 4.639 . 0 0 "[ . 1]" 1
192 1 15 DG H2'' 1 16 DG H8 3.750 . 5.500 2.247 2.185 2.403 . 0 0 "[ . 1]" 1
193 1 15 DG H2' 1 15 DG H8 3.750 2.500 5.000 3.149 2.871 3.401 . 0 0 "[ . 1]" 1
194 1 15 DG H2' 1 16 DG H8 3.750 2.500 5.000 2.743 2.511 3.212 . 0 0 "[ . 1]" 1
195 1 15 DG H3' 1 15 DG H8 5.500 4.000 7.000 4.446 4.356 4.536 . 0 0 "[ . 1]" 1
196 1 15 DG H3' 1 16 DG H8 5.500 4.000 7.000 4.410 4.213 4.595 . 0 0 "[ . 1]" 1
197 1 15 DG H1' 1 15 DG H4' 3.750 2.500 5.000 2.939 2.819 3.520 . 0 0 "[ . 1]" 1
198 1 15 DG H4' 1 15 DG H8 5.500 4.000 7.000 4.631 4.384 4.702 . 0 0 "[ . 1]" 1
199 1 15 DG H5'' 1 15 DG H8 3.000 . 4.000 3.970 3.262 4.072 0.072 2 0 "[ . 1]" 1
200 1 15 DG H5' 1 15 DG H8 3.000 . 4.000 3.402 2.225 3.633 . 0 0 "[ . 1]" 1
201 1 16 DG H1' 1 16 DG H8 3.750 2.500 5.000 3.913 3.909 3.916 . 0 0 "[ . 1]" 1
202 1 16 DG H1' 1 17 DG H8 3.750 2.500 5.000 3.887 3.756 4.096 . 0 0 "[ . 1]" 1
203 1 16 DG H2'' 1 16 DG H8 3.750 2.500 5.000 4.094 3.864 4.174 . 0 0 "[ . 1]" 1
204 1 16 DG H2'' 1 17 DG H8 3.750 2.500 5.000 2.511 2.489 2.571 0.011 2 0 "[ . 1]" 1
205 1 16 DG H2' 1 16 DG H8 2.000 . 3.000 2.624 2.412 2.681 . 0 0 "[ . 1]" 1
206 1 16 DG H2' 1 17 DG H8 3.750 2.500 5.000 3.409 3.296 3.677 . 0 0 "[ . 1]" 1
207 1 16 DG H3' 1 16 DG H8 5.500 4.000 7.000 4.330 4.276 4.384 . 0 0 "[ . 1]" 1
208 1 16 DG H3' 1 17 DG H8 5.500 4.000 7.000 5.106 5.027 5.233 . 0 0 "[ . 1]" 1
209 1 16 DG H1' 1 16 DG H4' 3.750 2.500 5.000 2.914 2.834 3.091 . 0 0 "[ . 1]" 1
210 1 16 DG H4' 1 16 DG H8 5.500 4.000 7.000 4.883 4.850 4.930 . 0 0 "[ . 1]" 1
211 1 15 DG H1' 1 16 DG H5'' 5.500 4.000 7.000 5.547 5.349 5.603 . 0 0 "[ . 1]" 1
212 1 16 DG H5'' 1 16 DG H8 5.500 4.000 7.000 5.125 4.961 5.206 . 0 0 "[ . 1]" 1
213 1 15 DG H1' 1 16 DG H5' 5.500 4.000 7.000 3.967 3.929 3.979 0.071 6 0 "[ . 1]" 1
214 1 16 DG H5' 1 16 DG H8 5.500 4.000 7.000 4.528 4.438 4.607 . 0 0 "[ . 1]" 1
215 1 17 DG H1' 1 17 DG H8 5.500 4.000 7.000 3.926 3.924 3.929 0.076 2 0 "[ . 1]" 1
216 1 17 DG H2'' 1 17 DG H8 3.750 2.500 5.000 4.142 4.043 4.197 . 0 0 "[ . 1]" 1
217 1 17 DG H2'' 1 18 DT H6 3.750 2.500 5.000 2.477 2.423 2.557 0.077 1 0 "[ . 1]" 1
218 1 17 DG H2' 1 17 DG H8 2.000 . 3.000 2.609 2.493 2.661 . 0 0 "[ . 1]" 1
219 1 17 DG H2' 1 18 DT H6 3.750 2.500 5.000 3.761 3.488 4.173 . 0 0 "[ . 1]" 1
220 1 17 DG H3' 1 17 DG H8 3.750 2.500 5.000 4.383 4.223 4.514 . 0 0 "[ . 1]" 1
221 1 17 DG H3' 1 18 DT H6 3.750 2.500 5.000 4.973 4.880 5.005 0.005 7 0 "[ . 1]" 1
222 1 17 DG H1' 1 17 DG H4' 3.750 2.500 5.000 2.916 2.851 2.950 . 0 0 "[ . 1]" 1
223 1 17 DG H4' 1 17 DG H8 5.500 4.000 7.000 4.911 4.890 4.956 . 0 0 "[ . 1]" 1
224 1 17 DG H5'' 1 17 DG H8 5.500 4.000 7.000 5.171 5.137 5.235 . 0 0 "[ . 1]" 1
225 1 16 DG H1' 1 17 DG H5' 3.750 2.500 5.500 2.999 2.856 3.217 . 0 0 "[ . 1]" 1
226 1 17 DG H5' 1 17 DG H8 5.500 4.000 7.000 4.521 4.457 4.626 . 0 0 "[ . 1]" 1
227 1 16 DG H8 1 17 DG H8 3.750 2.500 5.000 4.945 4.847 5.018 0.018 2 0 "[ . 1]" 1
228 1 17 DG H1' 1 18 DT C7 5.500 4.000 7.500 4.694 4.154 4.914 . 0 0 "[ . 1]" 1
229 1 17 DG H2'' 1 18 DT C7 3.750 2.500 5.500 3.448 2.932 3.746 . 0 0 "[ . 1]" 1
230 1 17 DG H2' 1 18 DT C7 3.750 2.500 5.500 3.417 3.364 3.452 . 0 0 "[ . 1]" 1
231 1 17 DG H3' 1 18 DT C7 3.750 2.500 5.500 5.463 5.316 5.528 0.028 1 0 "[ . 1]" 1
232 1 17 DG H8 1 18 DT C7 3.750 2.500 5.500 4.286 3.821 4.696 . 0 0 "[ . 1]" 1
233 1 18 DT C7 1 18 DT H1' 5.500 4.500 7.500 5.833 5.830 5.835 . 0 0 "[ . 1]" 1
234 1 18 DT H1' 1 18 DT H6 3.750 3.000 5.000 3.734 3.731 3.737 . 0 0 "[ . 1]" 1
235 1 17 DG H3' 1 18 DT Q2' 5.500 4.000 7.000 5.826 5.327 5.945 . 0 0 "[ . 1]" 1
236 1 18 DT Q2' 1 18 DT H6 2.000 . 3.000 2.176 2.160 2.202 . 0 0 "[ . 1]" 1
237 1 18 DT Q2' 1 18 DT H5' 5.500 4.000 7.000 3.989 3.868 4.254 0.132 6 0 "[ . 1]" 1
238 1 18 DT Q2' 1 18 DT H5'' 5.500 4.000 7.000 3.757 3.598 4.047 0.402 6 0 "[ . 1]" 1
239 1 18 DT H3' 1 18 DT H6 3.750 2.500 5.000 4.133 4.000 4.167 . 0 0 "[ . 1]" 1
240 1 17 DG H1' 1 18 DT H4' 5.500 4.000 7.000 5.292 4.526 6.000 . 0 0 "[ . 1]" 1
241 1 18 DT H1' 1 18 DT H4' 3.750 2.500 5.000 3.121 2.858 3.280 . 0 0 "[ . 1]" 1
242 1 18 DT H4' 1 18 DT H6 5.500 4.000 7.000 4.605 4.514 4.681 . 0 0 "[ . 1]" 1
243 1 17 DG H1' 1 18 DT H5'' 3.750 2.500 5.500 4.767 4.307 5.344 . 0 0 "[ . 1]" 1
244 1 18 DT H5'' 1 18 DT H6 5.500 3.500 7.000 4.618 4.332 4.993 . 0 0 "[ . 1]" 1
245 1 17 DG H1' 1 18 DT H5' 3.750 2.500 5.500 3.256 2.667 3.882 . 0 0 "[ . 1]" 1
246 1 18 DT H5' 1 18 DT H6 5.500 3.500 7.000 4.010 3.728 4.419 . 0 0 "[ . 1]" 1
247 1 17 DG H8 1 18 DT H6 5.500 4.000 7.000 5.594 5.001 6.243 . 0 0 "[ . 1]" 1
248 1 1 DT C7 1 7 DG H1 5.500 4.000 8.000 4.964 4.621 5.295 . 0 0 "[ . 1]" 1
249 1 1 DT H1' 1 3 DG H1 4.200 3.000 5.400 3.198 2.952 3.587 0.048 7 0 "[ . 1]" 1
250 1 1 DT H1' 1 7 DG H1 4.200 3.000 5.400 5.266 4.680 5.549 0.149 10 0 "[ . 1]" 1
251 1 1 DT H1' 1 15 DG H1 4.200 3.000 5.400 3.904 3.381 4.322 . 0 0 "[ . 1]" 1
252 1 1 DT H2'' 1 3 DG H1 4.200 3.000 5.400 5.318 5.060 5.472 0.072 1 0 "[ . 1]" 1
253 1 1 DT H2' 1 3 DG H1 4.200 3.000 5.400 5.221 5.119 5.397 . 0 0 "[ . 1]" 1
254 1 1 DT H2' 1 15 DG H1 5.500 4.000 8.000 6.856 6.327 7.258 . 0 0 "[ . 1]" 1
255 1 1 DT H4' 1 3 DG H1 4.200 3.000 5.400 3.190 2.908 3.453 0.092 6 0 "[ . 1]" 1
256 1 1 DT H4' 1 15 DG H1 5.500 4.000 8.000 5.526 5.155 5.849 . 0 0 "[ . 1]" 1
257 1 1 DT Q5' 1 3 DG H1 4.200 3.000 5.400 3.944 3.453 4.495 . 0 0 "[ . 1]" 1
258 1 1 DT Q5' 1 15 DG H1 5.500 4.000 8.000 6.954 6.497 7.231 . 0 0 "[ . 1]" 1
259 1 1 DT H6 1 7 DG H1 4.200 3.000 5.400 5.227 4.984 5.448 0.048 7 0 "[ . 1]" 1
260 1 2 DT C7 1 11 DG H1 4.200 3.000 6.000 5.803 4.598 6.084 0.084 7 0 "[ . 1]" 1
261 1 2 DT C7 1 15 DG H1 4.200 3.000 6.000 3.968 3.327 4.488 . 0 0 "[ . 1]" 1
262 1 2 DT C7 1 3 DG H1 4.200 3.000 6.000 6.142 6.028 6.206 0.206 4 0 "[ . 1]" 1
263 1 2 DT H1' 1 15 DG H1 5.500 4.000 8.000 5.494 5.064 6.672 . 0 0 "[ . 1]" 1
264 1 2 DT H2'' 1 15 DG H1 5.500 4.000 8.000 7.397 6.889 8.017 0.017 8 0 "[ . 1]" 1
265 1 2 DT H4' 1 15 DG H1 5.500 4.000 8.000 6.255 5.890 7.515 . 0 0 "[ . 1]" 1
266 1 2 DT H6 1 15 DG H1 4.200 3.000 5.400 4.011 3.359 4.503 . 0 0 "[ . 1]" 1
267 1 2 DT H6 1 3 DG H1 5.750 3.500 8.000 6.039 5.627 6.587 . 0 0 "[ . 1]" 1
268 1 3 DG H8 1 15 DG H1 4.200 3.000 5.400 4.882 4.479 5.191 . 0 0 "[ . 1]" 1
269 1 3 DG H8 1 16 DG H1 5.750 3.500 8.000 4.582 4.242 4.826 . 0 0 "[ . 1]" 1
270 1 3 DG H1 1 4 DG H1 4.200 3.000 5.400 4.043 3.799 4.399 . 0 0 "[ . 1]" 1
271 1 4 DG H1 1 5 DG H1 4.200 3.000 5.400 3.971 3.697 4.344 . 0 0 "[ . 1]" 1
272 1 4 DG H1 1 7 DG H2' 4.200 3.000 5.400 5.451 5.381 5.523 0.123 1 0 "[ . 1]" 1
273 1 4 DG H8 1 16 DG H1 4.200 3.000 5.400 4.073 4.006 4.157 . 0 0 "[ . 1]" 1
274 1 5 DG H1 1 8 DG H2' 4.200 3.000 5.400 5.343 5.208 5.418 0.018 7 0 "[ . 1]" 1
275 1 5 DG H8 1 17 DG H1 4.200 3.000 5.400 4.263 4.044 4.530 . 0 0 "[ . 1]" 1
276 1 3 DG H1 1 7 DG H8 4.200 3.000 5.400 4.786 4.043 5.045 . 0 0 "[ . 1]" 1
277 1 8 DG H1 1 11 DG H2' 4.200 3.000 5.400 5.008 4.548 5.500 0.100 6 0 "[ . 1]" 1
278 1 7 DG H1 1 8 DG H1 4.200 3.000 5.400 3.919 3.500 4.181 . 0 0 "[ . 1]" 1
279 1 8 DG H1 1 9 DG H1 4.200 3.000 5.400 3.992 3.714 4.253 . 0 0 "[ . 1]" 1
280 1 4 DG H1 1 8 DG H8 4.200 3.000 5.400 4.594 4.475 4.696 . 0 0 "[ . 1]" 1
281 1 9 DG H1 1 12 DG H2' 4.200 3.000 5.400 5.260 4.866 5.515 0.115 9 0 "[ . 1]" 1
282 1 5 DG H1 1 9 DG H8 4.200 3.000 5.400 3.944 3.741 4.189 . 0 0 "[ . 1]" 1
283 1 7 DG H1 1 11 DG H8 4.200 3.000 5.400 4.940 4.674 5.204 . 0 0 "[ . 1]" 1
284 1 8 DG H1 1 11 DG H8 5.750 3.500 8.000 5.025 4.797 5.419 . 0 0 "[ . 1]" 1
285 1 11 DG H1 1 12 DG H1 4.200 3.000 5.400 3.689 3.504 3.880 . 0 0 "[ . 1]" 1
286 1 12 DG H1 1 15 DG H2' 4.200 3.000 5.400 5.201 4.936 5.433 0.033 7 0 "[ . 1]" 1
287 1 8 DG H1 1 12 DG H8 4.200 3.000 5.400 4.119 3.984 4.310 . 0 0 "[ . 1]" 1
288 1 12 DG H1 1 13 DG H1 4.200 3.000 5.400 4.023 3.718 4.246 . 0 0 "[ . 1]" 1
289 1 13 DG H1 1 16 DG H1 5.750 3.500 8.000 4.869 4.521 5.130 . 0 0 "[ . 1]" 1
290 1 13 DG H1 1 16 DG H2' 4.200 3.000 5.400 5.341 5.165 5.466 0.066 2 0 "[ . 1]" 1
291 1 13 DG H1 1 17 DG H1 5.750 3.500 8.000 4.645 4.635 4.655 . 0 0 "[ . 1]" 1
292 1 13 DG H1 1 18 DT C7 4.200 3.000 6.000 5.391 4.782 5.903 . 0 0 "[ . 1]" 1
293 1 9 DG H1 1 13 DG H8 4.200 3.000 5.400 4.256 4.014 4.538 . 0 0 "[ . 1]" 1
294 1 11 DG H1 1 15 DG H8 4.200 3.000 5.400 4.820 4.318 5.116 . 0 0 "[ . 1]" 1
295 1 15 DG H1 1 16 DG H1 4.200 3.000 5.400 3.713 3.491 3.908 . 0 0 "[ . 1]" 1
296 1 3 DG H2' 1 16 DG H1 4.200 3.000 5.400 5.369 5.063 5.471 0.071 3 0 "[ . 1]" 1
297 1 12 DG H1 1 16 DG H8 4.200 3.000 5.400 4.595 4.479 4.685 . 0 0 "[ . 1]" 1
298 1 16 DG H1 1 17 DG H1 4.200 3.000 5.400 3.996 3.709 4.221 . 0 0 "[ . 1]" 1
299 1 17 DG H1 1 18 DT C7 4.200 3.000 6.000 5.981 5.758 6.071 0.071 10 0 "[ . 1]" 1
300 1 4 DG H2' 1 17 DG H1 4.200 3.000 5.400 5.410 5.293 5.473 0.073 10 0 "[ . 1]" 1
301 1 13 DG H1 1 17 DG H8 4.200 3.000 5.400 3.899 3.745 4.109 . 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 36
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 25.157
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0123
_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 3 DG 0.149 0.017 10 0 "[ . 1]"
1 4 DG 0.425 0.026 1 0 "[ . 1]"
1 5 DG 0.640 0.032 1 0 "[ . 1]"
1 7 DG 0.202 0.017 10 0 "[ . 1]"
1 8 DG 0.295 0.021 2 0 "[ . 1]"
1 9 DG 0.714 0.031 8 0 "[ . 1]"
1 11 DG 0.123 0.011 7 0 "[ . 1]"
1 12 DG 0.392 0.026 3 0 "[ . 1]"
1 13 DG 0.786 0.031 8 0 "[ . 1]"
1 15 DG 0.070 0.011 7 0 "[ . 1]"
1 16 DG 0.522 0.026 3 0 "[ . 1]"
1 17 DG 0.713 0.032 1 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 3 DG N2 1 7 DG N7 2.900 2.800 3.000 2.839 2.797 2.910 0.003 3 0 "[ . 1]" 2
2 1 3 DG N1 1 7 DG O6 2.950 2.850 3.050 2.897 2.833 3.057 0.017 10 0 "[ . 1]" 2
3 1 3 DG H21 1 7 DG N7 1.990 . 2.090 1.887 1.874 1.919 0.016 7 0 "[ . 1]" 2
4 1 7 DG N2 1 11 DG N7 2.900 2.800 3.000 2.882 2.869 2.895 . 0 0 "[ . 1]" 2
5 1 7 DG N1 1 11 DG O6 2.950 2.850 3.050 2.962 2.844 3.060 0.010 10 0 "[ . 1]" 2
6 1 7 DG H21 1 11 DG N7 1.990 . 2.090 1.886 1.879 1.902 0.011 10 0 "[ . 1]" 2
7 1 11 DG N2 1 15 DG N7 2.900 2.800 3.000 2.927 2.855 3.001 0.001 4 0 "[ . 1]" 2
8 1 11 DG N1 1 15 DG O6 2.950 2.850 3.050 2.987 2.860 3.056 0.006 7 0 "[ . 1]" 2
9 1 11 DG H21 1 15 DG N7 1.990 . 2.090 1.926 1.879 1.996 0.011 7 0 "[ . 1]" 2
10 1 3 DG N7 1 15 DG N2 2.900 2.800 3.000 2.958 2.883 3.003 0.003 1 0 "[ . 1]" 2
11 1 3 DG O6 1 15 DG N1 2.950 2.850 3.050 3.003 2.845 3.061 0.011 9 0 "[ . 1]" 2
12 1 3 DG N7 1 15 DG H21 1.990 . 2.090 1.972 1.908 2.012 . 0 0 "[ . 1]" 2
13 1 4 DG N2 1 8 DG N7 2.900 2.800 3.000 2.896 2.873 2.931 . 0 0 "[ . 1]" 2
14 1 4 DG N1 1 8 DG O6 2.950 2.850 3.050 3.058 3.053 3.066 0.016 8 0 "[ . 1]" 2
15 1 4 DG H21 1 8 DG N7 1.990 . 2.090 1.892 1.875 1.924 0.015 10 0 "[ . 1]" 2
16 1 8 DG N2 1 12 DG N7 2.900 2.800 3.000 2.863 2.827 2.956 . 0 0 "[ . 1]" 2
17 1 8 DG N1 1 12 DG O6 2.950 2.850 3.050 3.061 3.052 3.071 0.021 2 0 "[ . 1]" 2
18 1 8 DG H21 1 12 DG N7 1.990 . 2.090 1.898 1.876 1.974 0.014 2 0 "[ . 1]" 2
19 1 12 DG N2 1 16 DG N7 2.900 2.800 3.000 2.881 2.867 2.907 . 0 0 "[ . 1]" 2
20 1 12 DG N1 1 16 DG O6 2.950 2.850 3.050 3.065 3.060 3.076 0.026 3 0 "[ . 1]" 2
21 1 12 DG H21 1 16 DG N7 1.990 . 2.090 1.884 1.877 1.898 0.013 6 0 "[ . 1]" 2
22 1 4 DG N7 1 16 DG N2 2.900 2.800 3.000 2.835 2.818 2.853 . 0 0 "[ . 1]" 2
23 1 4 DG O6 1 16 DG N1 2.950 2.850 3.050 3.066 3.058 3.076 0.026 1 0 "[ . 1]" 2
24 1 4 DG N7 1 16 DG H21 1.990 . 2.090 1.876 1.868 1.882 0.022 3 0 "[ . 1]" 2
25 1 5 DG N2 1 9 DG N7 2.900 2.800 3.000 2.822 2.797 2.851 0.003 6 0 "[ . 1]" 2
26 1 5 DG N1 1 9 DG O6 2.950 2.850 3.050 3.064 3.058 3.073 0.023 9 0 "[ . 1]" 2
27 1 5 DG H21 1 9 DG N7 1.990 . 2.090 1.878 1.871 1.885 0.019 2 0 "[ . 1]" 2
28 1 9 DG N2 1 13 DG N7 2.900 2.800 3.000 2.833 2.805 2.879 . 0 0 "[ . 1]" 2
29 1 9 DG N1 1 13 DG O6 2.950 2.850 3.050 3.073 3.061 3.078 0.028 7 0 "[ . 1]" 2
30 1 9 DG H21 1 13 DG N7 1.990 . 2.090 1.868 1.859 1.887 0.031 8 0 "[ . 1]" 2
31 1 13 DG N2 1 17 DG N7 2.900 2.800 3.000 2.809 2.791 2.829 0.009 3 0 "[ . 1]" 2
32 1 13 DG N1 1 17 DG O6 2.950 2.850 3.050 3.066 3.058 3.073 0.023 3 0 "[ . 1]" 2
33 1 13 DG H21 1 17 DG N7 1.990 . 2.090 1.874 1.868 1.884 0.022 4 0 "[ . 1]" 2
34 1 5 DG N7 1 17 DG N2 2.900 2.800 3.000 2.843 2.817 2.885 . 0 0 "[ . 1]" 2
35 1 5 DG O6 1 17 DG N1 2.950 2.850 3.050 3.068 3.056 3.075 0.025 7 0 "[ . 1]" 2
36 1 5 DG N7 1 17 DG H21 1.990 . 2.090 1.871 1.858 1.885 0.032 1 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:02:22 AM GMT (wattos1)