NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378890 |
1hoq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hoq
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 284
_Distance_constraint_stats_list.Viol_count 490
_Distance_constraint_stats_list.Viol_total 713.416
_Distance_constraint_stats_list.Viol_max 1.654
_Distance_constraint_stats_list.Viol_rms 0.1159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0251
_Distance_constraint_stats_list.Viol_average_violations_only 0.1456
_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 3.359 0.200 5 0 "[ . 1]"
1 2 DG 3.400 0.200 5 0 "[ . 1]"
1 3 DA 4.707 0.177 10 0 "[ . 1]"
1 4 DC 11.703 1.033 1 7 "[+* *-***1]"
1 5 DT 22.693 1.654 8 9 "[*** *-*+**]"
1 6 DT 13.611 1.654 8 8 "[* * ***+*-]"
1 7 DC 2.324 0.127 8 0 "[ . 1]"
1 8 DG 2.387 0.166 4 0 "[ . 1]"
1 9 DG 24.462 1.195 2 10 [*+*-******]
1 10 DT 22.233 1.195 2 10 [*+*-******]
1 11 DC 7.943 0.199 5 0 "[ . 1]"
1 12 DC 3.913 0.187 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 2 DG H1' 1 2 DG H2' 2.700 2.400 3.200 2.728 2.706 2.793 . 0 0 "[ . 1]" 1
2 1 3 DA H1' 1 3 DA H2' 2.800 2.500 3.300 2.767 2.744 2.808 . 0 0 "[ . 1]" 1
3 1 4 DC H1' 1 4 DC H2' 2.800 2.500 3.300 2.792 2.764 2.853 . 0 0 "[ . 1]" 1
4 1 5 DT H1' 1 5 DT H2' 2.700 2.400 3.200 2.796 2.751 2.824 . 0 0 "[ . 1]" 1
5 1 6 DT H1' 1 6 DT H2' 2.800 2.500 3.300 2.993 2.989 2.999 . 0 0 "[ . 1]" 1
6 1 7 DC H1' 1 7 DC H2' 2.800 2.500 3.300 2.998 2.993 3.007 . 0 0 "[ . 1]" 1
7 1 8 DG H1' 1 8 DG H2' 2.800 2.500 3.300 3.001 2.991 3.014 . 0 0 "[ . 1]" 1
8 1 9 DG H1' 1 9 DG Q2' . 2.500 2.600 2.161 2.148 2.169 0.352 10 0 "[ . 1]" 1
9 1 10 DT H1' 1 10 DT H2' 2.700 2.400 3.200 2.931 2.919 2.942 . 0 0 "[ . 1]" 1
10 1 11 DC H1' 1 11 DC H2' 2.800 2.500 3.300 2.921 2.885 2.937 . 0 0 "[ . 1]" 1
11 1 12 DC H1' 1 12 DC H2' 2.800 2.500 3.300 2.860 2.827 2.907 . 0 0 "[ . 1]" 1
12 1 5 DT H1' 1 5 DT H2'' 2.400 2.200 2.600 2.242 2.228 2.253 . 0 0 "[ . 1]" 1
13 1 6 DT H1' 1 6 DT H2'' 2.400 2.200 2.600 2.283 2.273 2.291 . 0 0 "[ . 1]" 1
14 1 7 DC H1' 1 7 DC H2'' 2.400 2.200 2.600 2.287 2.281 2.292 . 0 0 "[ . 1]" 1
15 1 8 DG H1' 1 8 DG H2'' 2.500 2.300 2.700 2.296 2.288 2.331 0.012 9 0 "[ . 1]" 1
16 1 10 DT H1' 1 10 DT H2'' 2.300 2.100 2.500 2.226 2.220 2.231 . 0 0 "[ . 1]" 1
17 1 11 DC H1' 1 11 DC H2'' 2.400 2.200 2.600 2.229 2.223 2.235 . 0 0 "[ . 1]" 1
18 1 12 DC H1' 1 12 DC H2'' 2.200 . 2.400 2.242 2.238 2.246 . 0 0 "[ . 1]" 1
19 1 1 DG H1' 1 1 DG H3' 3.900 3.400 4.600 3.886 3.849 3.899 . 0 0 "[ . 1]" 1
20 1 2 DG H1' 1 2 DG H3' 3.400 2.900 4.100 3.823 3.799 3.867 . 0 0 "[ . 1]" 1
21 1 3 DA H1' 1 3 DA H3' 3.700 3.200 4.400 3.843 3.823 3.861 . 0 0 "[ . 1]" 1
22 1 5 DT H1' 1 5 DT H3' 3.700 3.200 4.400 3.897 3.860 3.912 . 0 0 "[ . 1]" 1
23 1 6 DT H1' 1 6 DT H3' 3.700 3.200 4.400 3.927 3.913 3.936 . 0 0 "[ . 1]" 1
24 1 7 DC H1' 1 7 DC H3' 3.500 3.000 4.200 3.906 3.878 3.930 . 0 0 "[ . 1]" 1
25 1 8 DG H1' 1 8 DG H3' 3.700 3.200 4.400 3.890 3.801 3.931 . 0 0 "[ . 1]" 1
26 1 11 DC H1' 1 11 DC H3' 3.700 3.200 4.400 3.939 3.935 3.943 . 0 0 "[ . 1]" 1
27 1 12 DC H1' 1 12 DC H3' 3.700 3.200 4.400 3.927 3.917 3.937 . 0 0 "[ . 1]" 1
28 1 1 DG H1' 1 1 DG H4' 3.400 3.100 3.900 3.287 3.219 3.524 . 0 0 "[ . 1]" 1
29 1 2 DG H1' 1 2 DG H4' 3.300 3.000 3.800 3.501 3.274 3.553 . 0 0 "[ . 1]" 1
30 1 3 DA H1' 1 3 DA H4' 3.300 3.000 3.800 3.236 3.108 3.319 . 0 0 "[ . 1]" 1
31 1 4 DC H1' 1 4 DC H4' 3.300 3.000 3.800 3.320 3.073 3.414 . 0 0 "[ . 1]" 1
32 1 5 DT H1' 1 5 DT H4' 3.100 2.800 3.600 3.313 3.201 3.419 . 0 0 "[ . 1]" 1
33 1 6 DT H1' 1 6 DT H4' 3.200 2.900 3.700 3.327 3.243 3.390 . 0 0 "[ . 1]" 1
34 1 7 DC H1' 1 7 DC H4' 3.200 2.900 3.700 3.206 3.094 3.325 . 0 0 "[ . 1]" 1
35 1 8 DG H1' 1 8 DG H4' 3.200 2.900 3.700 3.236 3.119 3.358 . 0 0 "[ . 1]" 1
36 1 10 DT H1' 1 10 DT H4' 2.800 2.500 3.100 3.070 3.046 3.101 0.001 3 0 "[ . 1]" 1
37 1 11 DC H1' 1 11 DC H4' 2.800 2.500 3.100 2.962 2.933 3.059 . 0 0 "[ . 1]" 1
38 1 12 DC H1' 1 12 DC H4' 2.900 2.600 3.200 3.182 3.049 3.297 0.097 3 0 "[ . 1]" 1
39 1 1 DG H2' 1 1 DG H3' 2.600 2.300 3.100 2.263 2.250 2.304 0.050 8 0 "[ . 1]" 1
40 1 3 DA H2' 1 3 DA H3' 2.800 2.500 3.300 2.346 2.338 2.357 0.162 10 0 "[ . 1]" 1
41 1 5 DT H2' 1 5 DT H3' 2.600 2.300 3.100 2.278 2.267 2.296 0.033 10 0 "[ . 1]" 1
42 1 6 DT H2' 1 6 DT H3' 2.700 2.400 3.200 2.288 2.272 2.301 0.128 2 0 "[ . 1]" 1
43 1 7 DC H2' 1 7 DC H3' 2.400 2.200 2.600 2.246 2.227 2.258 . 0 0 "[ . 1]" 1
44 1 8 DG H2' 1 8 DG H3' 2.500 2.300 2.700 2.274 2.261 2.296 0.039 2 0 "[ . 1]" 1
45 1 9 DG Q2' 1 9 DG H3' 2.700 2.400 3.200 2.162 2.151 2.169 0.249 10 0 "[ . 1]" 1
46 1 11 DC H2' 1 11 DC H3' 2.700 2.400 3.200 2.250 2.246 2.257 0.154 4 0 "[ . 1]" 1
47 1 12 DC H2' 1 12 DC H3' 2.600 2.300 3.100 2.255 2.242 2.263 0.058 10 0 "[ . 1]" 1
48 1 5 DT H2'' 1 5 DT H3' 2.900 2.600 3.400 2.975 2.969 2.981 . 0 0 "[ . 1]" 1
49 1 6 DT H2'' 1 6 DT H3' 2.900 2.600 3.400 2.754 2.737 2.777 . 0 0 "[ . 1]" 1
50 1 7 DC H2'' 1 7 DC H3' 2.700 2.400 3.200 2.760 2.751 2.772 . 0 0 "[ . 1]" 1
51 1 8 DG H2'' 1 8 DG H3' 2.900 2.600 3.400 2.744 2.706 2.761 . 0 0 "[ . 1]" 1
52 1 11 DC H2'' 1 11 DC H3' 3.200 2.900 3.700 2.917 2.903 2.940 . 0 0 "[ . 1]" 1
53 1 12 DC H2'' 1 12 DC H3' 2.700 2.400 3.200 2.960 2.940 2.971 . 0 0 "[ . 1]" 1
54 1 5 DT H2' 1 5 DT H4' 3.400 2.900 4.100 3.888 3.862 3.906 . 0 0 "[ . 1]" 1
55 1 9 DG Q2' 1 9 DG H4' . 2.900 3.300 3.206 3.173 3.260 . 0 0 "[ . 1]" 1
56 1 10 DT H2' 1 10 DT H4' 3.200 2.700 3.900 3.902 3.896 3.910 0.010 7 0 "[ . 1]" 1
57 1 11 DC H2' 1 11 DC H4' 3.300 2.800 4.000 3.882 3.875 3.893 . 0 0 "[ . 1]" 1
58 1 12 DC H2' 1 12 DC H4' 3.200 2.700 3.900 3.905 3.892 3.920 0.020 3 0 "[ . 1]" 1
59 1 5 DT H2'' 1 5 DT H4' 2.900 2.600 3.400 2.970 2.874 3.006 . 0 0 "[ . 1]" 1
60 1 6 DT H2'' 1 6 DT H4' 3.400 2.900 4.100 3.882 3.809 3.926 . 0 0 "[ . 1]" 1
61 1 7 DC H2'' 1 7 DC H4' 3.400 2.900 4.100 3.813 3.756 3.867 . 0 0 "[ . 1]" 1
62 1 8 DG H2'' 1 8 DG H4' 3.200 2.700 3.900 3.874 3.837 3.928 0.028 4 0 "[ . 1]" 1
63 1 10 DT H2'' 1 10 DT H4' 2.800 2.500 3.100 3.354 3.330 3.389 0.289 10 0 "[ . 1]" 1
64 1 11 DC H2'' 1 11 DC H4' 2.800 2.500 3.100 3.256 3.189 3.299 0.199 5 0 "[ . 1]" 1
65 1 12 DC H2'' 1 12 DC H4' 2.900 2.600 3.200 3.110 3.048 3.203 0.003 10 0 "[ . 1]" 1
66 1 1 DG H3' 1 1 DG H4' 2.800 2.500 3.300 3.001 2.998 3.003 . 0 0 "[ . 1]" 1
67 1 3 DA H3' 1 3 DA H4' 2.600 2.300 3.100 3.013 3.007 3.019 . 0 0 "[ . 1]" 1
68 1 5 DT H3' 1 5 DT H4' 2.600 2.300 3.100 3.001 2.996 3.006 . 0 0 "[ . 1]" 1
69 1 6 DT H3' 1 6 DT H4' 2.700 2.400 3.200 2.823 2.793 2.855 . 0 0 "[ . 1]" 1
70 1 7 DC H3' 1 7 DC H4' 2.800 2.500 3.300 2.853 2.830 2.871 . 0 0 "[ . 1]" 1
71 1 8 DG H3' 1 8 DG H4' 2.900 2.600 3.400 2.837 2.819 2.858 . 0 0 "[ . 1]" 1
72 1 9 DG H3' 1 9 DG H4' 2.900 2.400 3.600 2.955 2.929 2.968 . 0 0 "[ . 1]" 1
73 1 11 DC H3' 1 11 DC H4' 2.600 2.300 3.100 2.973 2.965 2.982 . 0 0 "[ . 1]" 1
74 1 12 DC H3' 1 12 DC H4' 2.600 2.300 3.100 2.991 2.984 3.000 . 0 0 "[ . 1]" 1
75 1 1 DG H1' 1 1 DG H8 3.800 3.300 4.500 3.650 3.541 3.687 . 0 0 "[ . 1]" 1
76 1 2 DG H1' 1 2 DG H8 3.800 3.300 4.500 3.722 3.696 3.797 . 0 0 "[ . 1]" 1
77 1 3 DA H1' 1 3 DA H8 3.900 3.400 4.600 3.741 3.705 3.801 . 0 0 "[ . 1]" 1
78 1 4 DC H1' 1 4 DC H6 3.800 3.300 4.500 3.670 3.625 3.716 . 0 0 "[ . 1]" 1
79 1 5 DT H1' 1 5 DT H6 3.400 2.900 4.400 3.683 3.610 3.759 . 0 0 "[ . 1]" 1
80 1 6 DT H1' 1 6 DT H6 3.500 . 5.000 3.723 3.669 3.737 . 0 0 "[ . 1]" 1
81 1 7 DC H1' 1 7 DC H6 3.500 . 5.000 3.719 3.662 3.746 . 0 0 "[ . 1]" 1
82 1 9 DG H1' 1 9 DG H8 3.400 2.900 4.100 3.847 3.790 3.882 . 0 0 "[ . 1]" 1
83 1 10 DT H1' 1 10 DT H6 3.300 2.800 4.000 3.706 3.681 3.718 . 0 0 "[ . 1]" 1
84 1 11 DC H1' 1 11 DC H6 3.300 2.800 4.000 3.689 3.665 3.713 . 0 0 "[ . 1]" 1
85 1 12 DC H1' 1 12 DC H6 3.200 2.700 3.900 3.704 3.681 3.720 . 0 0 "[ . 1]" 1
86 1 1 DG H2' 1 1 DG H8 3.600 3.300 4.100 3.917 3.822 4.207 0.107 10 0 "[ . 1]" 1
87 1 2 DG H2' 1 2 DG H8 3.300 3.000 3.800 3.800 3.683 3.850 0.050 6 0 "[ . 1]" 1
88 1 3 DA H2' 1 3 DA H8 3.700 3.400 4.200 3.832 3.633 3.975 . 0 0 "[ . 1]" 1
89 1 4 DC H2' 1 4 DC H6 3.000 2.700 3.500 3.408 3.202 3.562 0.062 7 0 "[ . 1]" 1
90 1 5 DT H2' 1 5 DT H6 2.800 2.500 3.500 3.034 2.666 3.372 . 0 0 "[ . 1]" 1
91 1 6 DT H2' 1 6 DT H6 2.500 . 3.200 2.353 2.000 2.851 . 0 0 "[ . 1]" 1
92 1 7 DC H2' 1 7 DC H6 2.500 . 3.200 2.250 1.761 2.882 0.039 3 0 "[ . 1]" 1
93 1 9 DG Q2' 1 9 DG H8 2.700 2.700 3.200 2.844 2.682 3.070 0.018 3 0 "[ . 1]" 1
94 1 10 DT H2' 1 10 DT H6 2.500 2.200 3.000 2.607 2.507 2.690 . 0 0 "[ . 1]" 1
95 1 11 DC H2' 1 11 DC H6 2.600 2.300 3.100 2.766 2.687 2.868 . 0 0 "[ . 1]" 1
96 1 12 DC H2' 1 12 DC H6 2.500 2.200 3.000 3.013 2.965 3.059 0.059 3 0 "[ . 1]" 1
97 1 5 DT H2'' 1 5 DT H6 3.000 2.500 4.000 4.136 4.018 4.223 0.223 6 0 "[ . 1]" 1
98 1 6 DT H2'' 1 6 DT H6 3.500 . 5.000 3.886 3.616 4.223 . 0 0 "[ . 1]" 1
99 1 7 DC H2'' 1 7 DC H6 3.500 . 5.000 3.769 3.138 4.239 . 0 0 "[ . 1]" 1
100 1 10 DT H2'' 1 10 DT H6 3.000 2.500 4.000 4.039 3.983 4.087 0.087 9 0 "[ . 1]" 1
101 1 11 DC H2'' 1 11 DC H6 3.100 2.600 4.100 4.140 4.105 4.197 0.097 10 0 "[ . 1]" 1
102 1 12 DC H2'' 1 12 DC H6 3.300 2.800 4.300 4.237 4.201 4.290 . 0 0 "[ . 1]" 1
103 1 1 DG H3' 1 1 DG H8 3.100 2.800 3.600 3.673 3.607 3.695 0.095 8 0 "[ . 1]" 1
104 1 2 DG H3' 1 2 DG H8 3.100 2.800 3.600 2.843 2.739 3.331 0.061 3 0 "[ . 1]" 1
105 1 3 DA H3' 1 3 DA H8 2.700 2.400 3.200 3.215 3.084 3.276 0.076 9 0 "[ . 1]" 1
106 1 4 DC H3' 1 4 DC H6 2.800 2.500 3.300 2.730 2.523 2.940 . 0 0 "[ . 1]" 1
107 1 5 DT H3' 1 5 DT H6 2.700 2.400 3.700 2.461 2.367 2.576 0.033 5 0 "[ . 1]" 1
108 1 6 DT H3' 1 6 DT H6 5.000 3.000 7.000 3.832 3.669 4.143 . 0 0 "[ . 1]" 1
109 1 7 DC H3' 1 7 DC H6 5.000 3.000 7.000 3.791 3.643 4.019 . 0 0 "[ . 1]" 1
110 1 9 DG H3' 1 9 DG H8 3.400 2.900 4.100 3.692 3.445 3.953 . 0 0 "[ . 1]" 1
111 1 11 DC H3' 1 11 DC H6 3.000 2.700 3.500 3.280 3.016 3.430 . 0 0 "[ . 1]" 1
112 1 12 DC H3' 1 12 DC H6 3.000 2.700 3.500 2.850 2.703 3.203 . 0 0 "[ . 1]" 1
113 1 1 DG H1' 1 2 DG H8 4.200 3.700 4.900 4.256 4.044 4.923 0.023 1 0 "[ . 1]" 1
114 1 2 DG H1' 1 3 DA H8 3.900 3.400 4.600 4.482 4.422 4.566 . 0 0 "[ . 1]" 1
115 1 3 DA H1' 1 4 DC H6 4.200 3.700 4.900 4.908 4.742 4.954 0.054 2 0 "[ . 1]" 1
116 1 4 DC H1' 1 5 DT H6 4.400 3.900 5.900 5.219 4.857 5.751 . 0 0 "[ . 1]" 1
117 1 5 DT H1' 1 6 DT H6 4.200 3.700 5.700 5.309 4.662 5.739 0.039 3 0 "[ . 1]" 1
118 1 8 DG H1' 1 9 DG H8 5.000 3.000 7.000 4.673 3.452 6.353 . 0 0 "[ . 1]" 1
119 1 9 DG H1' 1 10 DT H6 3.600 3.100 4.300 4.252 4.110 4.326 0.026 9 0 "[ . 1]" 1
120 1 10 DT H1' 1 11 DC H6 3.600 3.100 4.300 3.759 3.653 3.910 . 0 0 "[ . 1]" 1
121 1 11 DC H1' 1 12 DC H6 3.400 2.900 4.100 4.071 3.790 4.166 0.066 3 0 "[ . 1]" 1
122 1 1 DG H2' 1 2 DG H8 2.700 2.400 3.200 2.224 2.200 2.262 0.200 5 0 "[ . 1]" 1
123 1 2 DG H2' 1 3 DA H8 2.500 2.200 3.000 2.111 2.023 2.169 0.177 10 0 "[ . 1]" 1
124 1 3 DA H2' 1 4 DC H6 2.600 2.300 3.100 2.196 2.130 2.252 0.170 10 0 "[ . 1]" 1
125 1 4 DC H2' 1 5 DT H6 2.700 2.200 3.700 2.567 2.148 2.944 0.052 7 0 "[ . 1]" 1
126 1 5 DT H2' 1 6 DT H6 3.500 . 5.000 2.760 2.298 3.003 . 0 0 "[ . 1]" 1
127 1 8 DG H2' 1 9 DG H8 5.000 3.000 7.000 3.632 2.930 5.029 0.070 4 0 "[ . 1]" 1
128 1 9 DG Q2' 1 10 DT H6 2.900 2.600 3.400 2.262 2.236 2.300 0.364 5 0 "[ . 1]" 1
129 1 10 DT H2' 1 11 DC H6 2.800 2.500 3.300 2.397 2.368 2.421 0.132 10 0 "[ . 1]" 1
130 1 11 DC H2' 1 12 DC H6 2.600 2.300 3.100 2.376 2.297 2.445 0.003 1 0 "[ . 1]" 1
131 1 5 DT H2'' 1 6 DT H6 3.500 . 5.000 3.692 2.710 4.265 . 0 0 "[ . 1]" 1
132 1 8 DG H2'' 1 9 DG H8 3.500 . 5.000 2.793 2.011 4.326 . 0 0 "[ . 1]" 1
133 1 10 DT H2'' 1 11 DC H6 2.800 2.500 3.300 2.464 2.423 2.481 0.077 10 0 "[ . 1]" 1
134 1 11 DC H2'' 1 12 DC H6 2.700 2.400 3.200 2.423 2.369 2.478 0.031 10 0 "[ . 1]" 1
135 1 1 DG H3' 1 2 DG H8 3.200 2.700 3.900 3.728 2.700 3.960 0.060 8 0 "[ . 1]" 1
136 1 2 DG H3' 1 3 DA H8 3.000 2.500 3.700 2.771 2.504 3.404 . 0 0 "[ . 1]" 1
137 1 3 DA H3' 1 4 DC H6 3.100 2.600 3.800 2.981 2.550 3.622 0.050 5 0 "[ . 1]" 1
138 1 4 DC H3' 1 5 DT H6 3.000 2.500 4.000 2.864 2.372 4.102 0.128 6 0 "[ . 1]" 1
139 1 2 DG H2' 1 3 DA H1' 3.600 3.100 4.300 3.822 3.634 4.266 . 0 0 "[ . 1]" 1
140 1 3 DA H2 1 4 DC H1' 3.500 3.200 4.000 3.922 3.630 4.073 0.073 5 0 "[ . 1]" 1
141 1 3 DA H8 1 4 DC H5 4.200 3.700 4.900 3.977 3.684 4.328 0.016 6 0 "[ . 1]" 1
142 1 3 DA H2' 1 4 DC H5 3.800 3.300 4.500 3.313 3.167 3.590 0.133 1 0 "[ . 1]" 1
143 1 3 DA H2' 1 4 DC H1' 3.800 3.300 4.500 3.894 3.300 4.528 0.028 10 0 "[ . 1]" 1
144 1 4 DC H5 1 5 DT M7 3.400 2.900 4.400 3.305 2.716 3.712 0.184 8 0 "[ . 1]" 1
145 1 4 DC H6 1 5 DT M7 3.500 3.000 4.500 2.692 2.313 2.971 0.687 8 3 "[ . -+*1]" 1
146 1 4 DC H2' 1 5 DT M7 3.800 3.300 4.800 3.365 2.267 3.853 1.033 1 2 "[+ . - 1]" 1
147 1 4 DC H3' 1 5 DT M7 3.100 2.600 4.100 2.229 1.889 3.033 0.711 7 5 "[ * *-+ *1]" 1
148 1 5 DT H6 1 6 DT M7 5.000 3.000 7.000 3.428 2.683 4.163 0.317 8 0 "[ . 1]" 1
149 1 5 DT H2' 1 6 DT M7 3.500 . 5.000 3.277 2.366 4.032 . 0 0 "[ . 1]" 1
150 1 5 DT H3' 1 6 DT M7 3.500 . 5.000 2.751 2.046 3.391 . 0 0 "[ . 1]" 1
151 1 5 DT H4' 1 6 DT M7 5.000 3.000 7.000 5.221 4.667 5.682 . 0 0 "[ . 1]" 1
152 1 5 DT H2' 1 7 DC H5 5.000 3.000 7.000 6.622 5.730 7.047 0.047 4 0 "[ . 1]" 1
153 1 6 DT H2' 1 7 DC H5 5.000 3.000 7.000 4.725 3.037 6.999 . 0 0 "[ . 1]" 1
154 1 6 DT H3' 1 7 DC H5 5.000 3.000 7.000 5.345 4.040 6.301 . 0 0 "[ . 1]" 1
155 1 7 DC H4' 1 8 DG C5' 4.000 . 6.000 4.231 3.037 6.114 0.114 1 0 "[ . 1]" 1
156 1 7 DC H4' 1 8 DG H8 5.000 3.000 7.000 5.330 3.629 7.127 0.127 8 0 "[ . 1]" 1
157 1 8 DG H1' 1 9 DG H4' 4.500 3.000 6.000 4.565 3.910 5.035 . 0 0 "[ . 1]" 1
158 1 8 DG H2' 1 9 DG H4' 5.000 3.000 7.000 6.049 5.485 6.678 . 0 0 "[ . 1]" 1
159 1 9 DG H8 1 10 DT M7 3.500 3.000 4.200 2.736 2.490 2.939 0.510 4 1 "[ +. 1]" 1
160 1 9 DG Q2' 1 10 DT M7 3.400 3.100 4.100 1.929 1.905 1.971 1.195 2 10 [*+*****-**] 1
161 1 9 DG H3' 1 10 DT M7 3.200 2.700 4.200 3.379 3.309 3.497 . 0 0 "[ . 1]" 1
162 1 10 DT H6 1 11 DC H5 3.900 3.400 4.600 3.702 3.610 3.787 . 0 0 "[ . 1]" 1
163 1 10 DT H2' 1 11 DC H5 3.400 2.900 4.100 2.997 2.864 3.055 0.036 3 0 "[ . 1]" 1
164 1 10 DT H2'' 1 11 DC H5 3.500 3.000 4.200 4.181 4.107 4.221 0.021 1 0 "[ . 1]" 1
165 1 10 DT M7 1 11 DC H5 3.500 3.000 4.200 3.422 3.369 3.470 . 0 0 "[ . 1]" 1
166 1 11 DC H6 1 12 DC H5 3.800 3.300 4.500 4.031 3.563 4.484 . 0 0 "[ . 1]" 1
167 1 11 DC H2' 1 12 DC H5 3.400 2.900 4.100 2.739 2.713 2.794 0.187 2 0 "[ . 1]" 1
168 1 11 DC H2'' 1 12 DC H5 3.300 2.800 4.000 4.050 4.035 4.079 0.079 4 0 "[ . 1]" 1
169 1 3 DA H2 1 11 DC H1' 3.700 3.200 4.400 3.809 3.371 4.156 . 0 0 "[ . 1]" 1
170 1 1 DG H1' 1 2 DG H5' 4.500 4.000 103.500 4.835 4.405 5.006 . 0 0 "[ . 1]" 1
171 1 1 DG H1' 1 2 DG H5'' 4.500 4.000 103.500 6.340 6.141 6.567 . 0 0 "[ . 1]" 1
172 1 2 DG H1' 1 3 DA H5' 4.500 4.000 103.500 4.441 4.271 4.719 . 0 0 "[ . 1]" 1
173 1 2 DG H1' 1 3 DA H5'' 4.500 4.000 103.500 6.140 5.993 6.389 . 0 0 "[ . 1]" 1
174 1 3 DA H1' 1 4 DC H5' 4.500 4.000 103.500 5.255 4.372 5.778 . 0 0 "[ . 1]" 1
175 1 3 DA H1' 1 4 DC H5'' 4.500 4.000 103.500 6.867 6.092 7.350 . 0 0 "[ . 1]" 1
176 1 4 DC H1' 1 5 DT H5' 4.500 4.000 103.500 4.749 4.182 5.648 . 0 0 "[ . 1]" 1
177 1 4 DC H1' 1 5 DT H5'' 4.500 4.000 103.500 6.418 5.925 7.200 . 0 0 "[ . 1]" 1
178 1 5 DT H1' 1 6 DT H5' 3.000 2.500 102.000 4.897 4.509 5.694 . 0 0 "[ . 1]" 1
179 1 5 DT H1' 1 6 DT H5'' 3.000 2.500 102.000 6.410 5.865 7.124 . 0 0 "[ . 1]" 1
180 1 6 DT H1' 1 7 DC H5' 4.000 3.500 103.000 4.704 3.395 6.773 0.105 4 0 "[ . 1]" 1
181 1 6 DT H1' 1 7 DC H5'' 4.000 3.500 103.000 5.580 4.859 7.384 . 0 0 "[ . 1]" 1
182 1 7 DC H1' 1 8 DG H5' 4.000 3.500 103.000 6.016 4.747 6.702 . 0 0 "[ . 1]" 1
183 1 7 DC H1' 1 8 DG H5'' 4.000 3.500 103.000 5.133 3.825 6.409 . 0 0 "[ . 1]" 1
184 1 8 DG H1' 1 9 DG H5' 4.000 3.500 103.000 3.820 3.444 4.526 0.056 2 0 "[ . 1]" 1
185 1 8 DG H1' 1 9 DG H5'' 4.000 3.500 103.000 5.436 4.942 5.897 . 0 0 "[ . 1]" 1
186 1 9 DG H1' 1 10 DT H5' 4.000 3.500 103.000 3.629 3.495 3.795 0.005 1 0 "[ . 1]" 1
187 1 9 DG H1' 1 10 DT H5'' 4.000 3.500 103.000 5.286 5.158 5.450 . 0 0 "[ . 1]" 1
188 1 10 DT H1' 1 11 DC H5' 4.000 3.500 103.000 3.751 3.528 3.978 . 0 0 "[ . 1]" 1
189 1 10 DT H1' 1 11 DC H5'' 4.000 3.500 103.000 5.348 5.168 5.530 . 0 0 "[ . 1]" 1
190 1 11 DC H1' 1 12 DC H5' 4.500 4.000 103.500 3.942 3.933 3.974 0.067 3 0 "[ . 1]" 1
191 1 11 DC H1' 1 12 DC H5'' 4.500 4.000 103.500 5.516 5.486 5.577 . 0 0 "[ . 1]" 1
192 1 5 DT M7 1 6 DT M7 4.500 4.000 103.500 2.956 2.346 4.059 1.654 8 8 "[* * ***+*-]" 1
193 1 5 DT H6 1 6 DT H6 4.500 4.000 103.500 4.780 3.979 5.682 0.021 7 0 "[ . 1]" 1
194 1 6 DT H6 1 7 DC H6 4.500 4.000 103.500 6.092 4.809 7.442 . 0 0 "[ . 1]" 1
195 1 7 DC H6 1 8 DG H8 4.500 4.000 103.500 7.658 4.636 10.474 . 0 0 "[ . 1]" 1
196 1 8 DG H8 1 9 DG H8 4.500 4.000 103.500 6.270 3.953 9.044 0.047 7 0 "[ . 1]" 1
197 1 5 DT H2'' 1 6 DT M7 4.000 3.500 103.000 4.484 3.644 5.124 . 0 0 "[ . 1]" 1
198 1 5 DT H5' 1 6 DT M7 3.500 3.000 102.500 5.392 4.355 6.458 . 0 0 "[ . 1]" 1
199 1 5 DT H5'' 1 6 DT M7 3.500 3.000 102.500 4.586 3.485 5.819 . 0 0 "[ . 1]" 1
200 1 5 DT H1' 1 6 DT M7 3.500 3.000 102.500 5.342 4.699 5.959 . 0 0 "[ . 1]" 1
201 1 5 DT H3' 1 6 DT H6 3.000 2.500 102.000 3.334 2.559 4.144 . 0 0 "[ . 1]" 1
202 1 5 DT H4' 1 6 DT H5' 4.000 3.500 103.000 4.203 3.600 4.869 . 0 0 "[ . 1]" 1
203 1 5 DT H4' 1 6 DT H5'' 4.000 3.500 103.000 5.751 5.263 6.056 . 0 0 "[ . 1]" 1
204 1 5 DT H2' 1 6 DT H5' 3.500 3.000 102.500 3.756 2.999 4.823 0.001 6 0 "[ . 1]" 1
205 1 5 DT H2'' 1 6 DT H5' 3.000 2.500 102.000 2.806 2.405 3.649 0.095 3 0 "[ . 1]" 1
206 1 5 DT H2' 1 6 DT H5'' 3.500 3.000 102.500 4.892 4.148 5.887 . 0 0 "[ . 1]" 1
207 1 5 DT H2'' 1 6 DT H5'' 3.000 2.500 102.000 4.261 3.661 4.932 . 0 0 "[ . 1]" 1
208 1 5 DT H2'' 1 7 DC H5 3.500 3.000 102.500 6.942 5.378 8.483 . 0 0 "[ . 1]" 1
209 1 5 DT H3' 1 7 DC H5 4.000 3.500 103.000 8.093 7.487 8.564 . 0 0 "[ . 1]" 1
210 1 5 DT M7 1 7 DC H5 4.500 4.000 103.500 8.128 6.015 10.018 . 0 0 "[ . 1]" 1
211 1 5 DT M7 1 7 DC H6 4.500 4.000 103.500 8.830 7.049 10.459 . 0 0 "[ . 1]" 1
212 1 5 DT M7 1 7 DC H1' 4.500 4.000 103.500 9.428 7.666 13.009 . 0 0 "[ . 1]" 1
213 1 5 DT H2' 1 7 DC H1' 4.500 4.000 103.500 7.754 5.398 10.509 . 0 0 "[ . 1]" 1
214 1 5 DT M7 1 7 DC H2' 5.000 4.500 104.000 9.803 8.046 11.451 . 0 0 "[ . 1]" 1
215 1 5 DT M7 1 7 DC H2'' 5.000 4.500 104.000 10.319 8.496 11.929 . 0 0 "[ . 1]" 1
216 1 6 DT H1' 1 7 DC H5 4.000 3.500 103.000 4.600 3.429 7.076 0.071 3 0 "[ . 1]" 1
217 1 6 DT H2'' 1 7 DC H5 3.500 3.000 102.500 4.307 3.003 7.323 . 0 0 "[ . 1]" 1
218 1 6 DT H4' 1 7 DC H5 4.000 3.500 103.000 5.604 3.391 6.908 0.109 1 0 "[ . 1]" 1
219 1 6 DT H5' 1 7 DC H5 4.000 3.500 103.000 6.706 3.491 8.175 0.009 8 0 "[ . 1]" 1
220 1 6 DT H5'' 1 7 DC H5 4.000 3.500 103.000 6.469 3.482 7.997 0.018 8 0 "[ . 1]" 1
221 1 6 DT M7 1 7 DC H5 4.500 4.000 103.500 6.118 4.238 8.390 . 0 0 "[ . 1]" 1
222 1 6 DT H2'' 1 7 DC H6 3.000 2.500 102.000 3.647 2.404 6.351 0.096 10 0 "[ . 1]" 1
223 1 6 DT H3' 1 7 DC H6 3.500 3.000 102.500 4.860 3.886 5.710 . 0 0 "[ . 1]" 1
224 1 6 DT H4' 1 7 DC H6 3.500 3.000 102.500 4.796 3.028 6.109 . 0 0 "[ . 1]" 1
225 1 6 DT H5' 1 7 DC H6 3.500 3.000 102.500 6.497 4.324 7.738 . 0 0 "[ . 1]" 1
226 1 6 DT H5'' 1 7 DC H6 3.500 3.000 102.500 6.171 4.144 7.108 . 0 0 "[ . 1]" 1
227 1 6 DT H5' 1 7 DC H5' 4.000 3.500 103.000 6.182 4.374 8.436 . 0 0 "[ . 1]" 1
228 1 6 DT H5'' 1 7 DC H5' 4.000 3.500 103.000 5.659 3.414 7.488 0.086 6 0 "[ . 1]" 1
229 1 6 DT H5' 1 7 DC H5'' 4.000 3.500 103.000 7.243 5.475 8.375 . 0 0 "[ . 1]" 1
230 1 6 DT H5'' 1 7 DC H5'' 4.000 3.500 103.000 6.644 4.934 7.494 . 0 0 "[ . 1]" 1
231 1 6 DT H4' 1 7 DC H5' 4.000 3.500 103.000 4.255 3.452 6.471 0.048 3 0 "[ . 1]" 1
232 1 6 DT H4' 1 7 DC H5'' 4.000 3.500 103.000 5.248 3.455 6.626 0.045 9 0 "[ . 1]" 1
233 1 6 DT H4' 1 7 DC H2' 4.000 3.500 103.000 5.954 3.423 7.399 0.077 3 0 "[ . 1]" 1
234 1 6 DT H5' 1 7 DC H2' 4.000 3.500 103.000 7.807 4.751 9.382 . 0 0 "[ . 1]" 1
235 1 6 DT H5'' 1 7 DC H2' 4.000 3.500 103.000 7.536 5.469 8.898 . 0 0 "[ . 1]" 1
236 1 6 DT H1' 1 8 DG H8 4.500 4.000 103.500 7.191 4.645 12.080 . 0 0 "[ . 1]" 1
237 1 6 DT H4' 1 8 DG H8 4.500 4.000 103.500 6.512 3.973 8.783 0.027 5 0 "[ . 1]" 1
238 1 6 DT H5' 1 8 DG H8 4.500 4.000 103.500 7.455 5.512 9.514 . 0 0 "[ . 1]" 1
239 1 6 DT H5'' 1 8 DG H8 4.500 4.000 103.500 7.936 6.389 9.895 . 0 0 "[ . 1]" 1
240 1 7 DC H1' 1 8 DG H8 4.000 3.500 103.000 6.314 3.479 9.463 0.021 3 0 "[ . 1]" 1
241 1 7 DC H2' 1 8 DG H8 4.500 4.000 103.500 7.110 3.899 9.617 0.101 8 0 "[ . 1]" 1
242 1 7 DC H2'' 1 8 DG H8 4.500 4.000 103.500 6.872 3.961 9.305 0.039 8 0 "[ . 1]" 1
243 1 7 DC H3' 1 8 DG H8 4.000 3.500 103.000 6.579 4.289 8.228 . 0 0 "[ . 1]" 1
244 1 7 DC H5' 1 8 DG H8 4.500 4.000 103.500 5.960 3.972 7.868 0.028 5 0 "[ . 1]" 1
245 1 7 DC H5'' 1 8 DG H8 4.500 4.000 103.500 6.327 4.620 8.041 . 0 0 "[ . 1]" 1
246 1 7 DC H1' 1 8 DG H1' 4.000 3.500 103.000 6.996 5.501 9.582 . 0 0 "[ . 1]" 1
247 1 7 DC H2' 1 8 DG H2' 4.500 4.000 103.500 7.103 4.717 8.438 . 0 0 "[ . 1]" 1
248 1 7 DC H2'' 1 8 DG H2' 4.500 4.000 103.500 6.315 4.669 7.977 . 0 0 "[ . 1]" 1
249 1 7 DC H4' 1 8 DG H2' 4.500 4.000 103.500 5.149 3.937 8.993 0.063 9 0 "[ . 1]" 1
250 1 7 DC H4' 1 8 DG H2'' 4.500 4.000 103.500 6.417 5.092 10.131 . 0 0 "[ . 1]" 1
251 1 7 DC H4' 1 8 DG H3' 4.000 3.500 103.000 5.702 3.969 8.603 . 0 0 "[ . 1]" 1
252 1 7 DC H5' 1 8 DG H3' 4.500 4.000 103.500 7.482 5.132 10.718 . 0 0 "[ . 1]" 1
253 1 7 DC H5'' 1 8 DG H3' 4.500 4.000 103.500 7.160 4.844 9.688 . 0 0 "[ . 1]" 1
254 1 7 DC H2' 1 8 DG H4' 4.500 4.000 103.500 7.307 5.334 8.920 . 0 0 "[ . 1]" 1
255 1 7 DC H5' 1 8 DG H4' 4.000 3.500 103.000 6.787 4.410 9.187 . 0 0 "[ . 1]" 1
256 1 7 DC H5'' 1 8 DG H4' 4.000 3.500 103.000 6.270 4.012 8.496 . 0 0 "[ . 1]" 1
257 1 7 DC H2'' 1 8 DG H4' 4.500 4.000 103.500 6.418 3.922 8.100 0.078 8 0 "[ . 1]" 1
258 1 7 DC H3' 1 8 DG H5' 4.000 3.500 103.000 5.412 4.056 6.068 . 0 0 "[ . 1]" 1
259 1 7 DC H3' 1 8 DG H5'' 4.000 3.500 103.000 4.835 3.922 5.652 . 0 0 "[ . 1]" 1
260 1 7 DC H4' 1 8 DG H5' 3.500 3.000 102.500 4.925 3.143 6.820 . 0 0 "[ . 1]" 1
261 1 7 DC H4' 1 8 DG H5'' 3.500 3.000 102.500 4.171 2.925 6.421 0.075 7 0 "[ . 1]" 1
262 1 7 DC H4' 1 8 DG H4' 4.000 3.500 103.000 5.328 3.939 7.222 . 0 0 "[ . 1]" 1
263 1 7 DC H2' 1 8 DG H5' 4.000 3.500 103.000 6.612 5.396 7.159 . 0 0 "[ . 1]" 1
264 1 7 DC H2' 1 8 DG H5'' 4.000 3.500 103.000 5.852 4.015 7.051 . 0 0 "[ . 1]" 1
265 1 7 DC H2'' 1 8 DG H5' 4.000 3.500 103.000 5.496 4.244 6.522 . 0 0 "[ . 1]" 1
266 1 7 DC H2'' 1 8 DG H5'' 4.000 3.500 103.000 4.776 3.380 6.051 0.120 8 0 "[ . 1]" 1
267 1 8 DG H1' 1 9 DG H1' 4.000 3.500 103.000 4.753 3.501 5.684 . 0 0 "[ . 1]" 1
268 1 8 DG H8 1 9 DG H1' 4.000 3.500 103.000 6.035 3.739 8.360 . 0 0 "[ . 1]" 1
269 1 8 DG H2' 1 9 DG H5' 4.000 3.500 103.000 5.136 5.008 5.466 . 0 0 "[ . 1]" 1
270 1 8 DG H2' 1 9 DG H5'' 4.000 3.500 103.000 6.360 5.991 6.939 . 0 0 "[ . 1]" 1
271 1 8 DG H2'' 1 9 DG H5' 4.000 3.500 103.000 3.568 3.334 4.392 0.166 4 0 "[ . 1]" 1
272 1 8 DG H2'' 1 9 DG H5'' 4.000 3.500 103.000 4.734 4.227 5.615 . 0 0 "[ . 1]" 1
273 1 8 DG H3' 1 9 DG H5' 4.000 3.500 103.000 4.573 4.119 4.935 . 0 0 "[ . 1]" 1
274 1 8 DG H3' 1 9 DG H5'' 4.000 3.500 103.000 5.667 5.569 5.783 . 0 0 "[ . 1]" 1
275 1 8 DG H4' 1 9 DG H5' 3.500 3.000 102.500 4.225 3.240 4.764 . 0 0 "[ . 1]" 1
276 1 8 DG H4' 1 9 DG H5'' 3.500 3.000 102.500 5.754 5.018 6.245 . 0 0 "[ . 1]" 1
277 1 8 DG H2'' 1 9 DG H1' 4.000 3.500 103.000 4.142 3.422 4.880 0.078 10 0 "[ . 1]" 1
278 1 8 DG H2'' 1 9 DG H4' 3.500 3.000 102.500 4.304 3.699 5.346 . 0 0 "[ . 1]" 1
279 1 8 DG H2'' 1 10 DT M7 4.500 4.000 103.500 5.019 4.383 6.173 . 0 0 "[ . 1]" 1
280 1 8 DG H1' 1 10 DT M7 4.500 4.000 103.500 6.610 5.482 7.859 . 0 0 "[ . 1]" 1
281 1 8 DG H8 1 10 DT M7 4.500 4.000 103.500 7.775 5.724 10.313 . 0 0 "[ . 1]" 1
282 1 8 DG H5' 1 8 DG H8 4.000 3.500 103.000 5.975 4.645 7.132 . 0 0 "[ . 1]" 1
283 1 8 DG H5'' 1 8 DG H8 4.000 3.500 103.000 5.239 3.502 6.212 . 0 0 "[ . 1]" 1
284 1 3 DA H1' 1 3 DA H2 4.000 3.500 103.000 4.744 4.651 4.805 . 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 5
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 1.388
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 5 DT 0.091 0.079 5 0 "[ . 1]"
1 6 DT 0.048 0.048 10 0 "[ . 1]"
1 8 DG 0.139 0.079 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 5 DT O2 1 8 DG H1 3.000 . 102.000 5.436 1.988 9.278 0.012 4 0 "[ . 1]" 2
2 1 6 DT O4' 1 8 DG H1 3.000 . 102.000 5.831 2.935 10.812 . 0 0 "[ . 1]" 2
3 1 6 DT O2 1 8 DG H1 3.000 . 102.000 5.964 1.952 9.893 0.048 10 0 "[ . 1]" 2
4 1 5 DT H3 1 8 DG N7 3.000 . 102.000 7.586 2.726 13.242 . 0 0 "[ . 1]" 2
5 1 5 DT H3 1 8 DG O6 3.000 . 102.000 6.418 1.921 11.628 0.079 5 0 "[ . 1]" 2
stop_
save_
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