NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377227 |
1g3a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g3a
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 156
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 0.258
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0258
_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 C 0.103 0.052 1 0 "[ ]"
1 2 IG 0.056 0.052 1 0 "[ ]"
1 3 C 0.006 0.003 1 0 "[ ]"
1 4 G 0.022 0.022 1 0 "[ ]"
1 5 IC 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
2 1 C 0.099 0.052 1 0 "[ ]"
2 2 IG 0.050 0.046 1 0 "[ ]"
2 3 C 0.010 0.006 1 0 "[ ]"
2 4 G 0.020 0.020 1 0 "[ ]"
2 5 IC 0.000 0.000 . 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C H1' 1 1 C H6 . 2.483 4.612 3.626 3.626 3.626 . 0 0 "[ ]" 1
2 1 1 C H1' 1 2 IG H8 . 2.593 4.816 4.868 4.868 4.868 0.052 1 0 "[ ]" 1
3 1 2 IG H1' 1 2 IG H8 . 2.519 4.679 3.789 3.789 3.789 . 0 0 "[ ]" 1
4 1 2 IG H1' 1 3 C H6 . 2.635 4.893 4.896 4.896 4.896 0.003 1 0 "[ ]" 1
5 1 3 C H1' 1 3 C H6 . 2.518 4.676 3.688 3.688 3.688 . 0 0 "[ ]" 1
6 1 3 C H1' 1 4 G H8 . 2.552 4.740 4.722 4.722 4.722 . 0 0 "[ ]" 1
7 1 4 G H1' 1 4 G H8 . 2.472 4.591 3.810 3.810 3.810 . 0 0 "[ ]" 1
8 1 4 G H1' 1 5 IC H6 . 2.729 5.068 4.782 4.782 4.782 . 0 0 "[ ]" 1
9 1 5 IC H1' 1 5 IC H6 . 2.524 4.688 3.654 3.654 3.654 . 0 0 "[ ]" 1
10 1 5 IC H1' 1 6 G H8 . 3.099 5.756 4.767 4.767 4.767 . 0 0 "[ ]" 1
11 1 6 G H1' 1 6 G H8 . 2.476 4.598 3.823 3.823 3.823 . 0 0 "[ ]" 1
12 1 1 C H5 1 1 C H6 . . 3.189 2.419 2.419 2.419 . 0 0 "[ ]" 1
13 1 3 C H5 1 3 C H6 . . 3.217 2.407 2.407 2.407 . 0 0 "[ ]" 1
14 1 5 IC H5 1 5 IC H6 . . 3.152 2.414 2.414 2.414 . 0 0 "[ ]" 1
15 1 4 G H8 1 5 IC H5 . 2.765 5.134 4.219 4.219 4.219 . 0 0 "[ ]" 1
16 1 2 IG H8 1 3 C H5 . 2.851 5.296 4.187 4.187 4.187 . 0 0 "[ ]" 1
17 1 1 C H3' 1 1 C H5 . 3.107 5.771 5.009 5.009 5.009 . 0 0 "[ ]" 1
18 1 5 IC H2' 1 6 G H1' . 3.076 5.713 4.001 4.001 4.001 . 0 0 "[ ]" 1
19 1 6 G H1' 1 6 G H2' . . 3.287 2.769 2.769 2.769 . 0 0 "[ ]" 1
20 1 1 C H2' 1 2 IG H1' . . 6.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
21 1 2 IG H1' 1 2 IG H4' . . 6.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
22 1 2 IG H1' 1 2 IG H3' . 2.812 5.222 3.822 3.822 3.822 . 0 0 "[ ]" 1
23 1 2 IG H1' 1 2 IG H2' . . 3.329 2.726 2.726 2.726 . 0 0 "[ ]" 1
24 1 4 G H1' 1 4 G H3' . 2.143 3.979 3.805 3.805 3.805 . 0 0 "[ ]" 1
25 1 3 C H2' 1 4 G H1' . . 6.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
26 1 4 G H1' 1 4 G H4' . . 6.000 3.322 3.322 3.322 . 0 0 "[ ]" 1
27 1 4 G H1' 1 4 G H2' . . 3.198 2.728 2.728 2.728 . 0 0 "[ ]" 1
28 1 4 G H1' 1 4 G H5' . 2.785 5.172 4.736 4.736 4.736 . 0 0 "[ ]" 1
29 1 2 IG H2' 1 3 C H1' . 2.518 4.676 3.990 3.990 3.990 . 0 0 "[ ]" 1
30 1 3 C H1' 1 3 C H3' . 2.093 3.888 3.786 3.786 3.786 . 0 0 "[ ]" 1
31 1 3 C H1' 1 3 C H2' . . 6.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
32 1 3 C H1' 1 3 C H4' . . 6.000 3.266 3.266 3.266 . 0 0 "[ ]" 1
33 1 3 C H1' 1 3 C H5' . 2.620 4.866 4.722 4.722 4.722 . 0 0 "[ ]" 1
34 1 1 C H1' 1 1 C H5'' . 2.706 5.025 5.075 5.075 5.075 0.050 1 0 "[ ]" 1
35 1 1 C H1' 1 1 C H5' . 3.007 5.585 4.547 4.547 4.547 . 0 0 "[ ]" 1
36 1 1 C H1' 1 1 C H4' . 2.018 3.747 3.072 3.072 3.072 . 0 0 "[ ]" 1
37 1 1 C H1' 1 1 C H2' . . 3.269 2.765 2.765 2.765 . 0 0 "[ ]" 1
38 1 1 C H1' 1 1 C H3' . 2.267 4.210 3.749 3.749 3.749 . 0 0 "[ ]" 1
39 1 5 IC H1' 1 5 IC H2' . . 3.074 2.766 2.766 2.766 . 0 0 "[ ]" 1
40 1 5 IC H1' 1 5 IC H4' . . 3.535 3.250 3.250 3.250 . 0 0 "[ ]" 1
41 1 4 G H2' 1 5 IC H1' . 2.349 4.363 3.969 3.969 3.969 . 0 0 "[ ]" 1
42 1 2 IG H3' 1 3 C H5 . 2.695 5.005 3.662 3.662 3.662 . 0 0 "[ ]" 1
43 1 2 IG H2' 1 3 C H5 . 2.272 4.219 3.891 3.891 3.891 . 0 0 "[ ]" 1
44 1 3 C H3' 1 3 C H5 . 2.362 4.387 4.389 4.389 4.389 0.002 1 0 "[ ]" 1
45 1 4 G H3' 1 5 IC H5 . 2.249 4.177 3.848 3.848 3.848 . 0 0 "[ ]" 1
46 1 5 IC H2' 1 5 IC H5 . 2.292 6.000 5.245 5.245 5.245 . 0 0 "[ ]" 1
47 1 5 IC H3' 1 5 IC H5 . 2.292 6.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
48 1 4 G H2' 1 5 IC H5 . 2.091 3.883 3.744 3.744 3.744 . 0 0 "[ ]" 1
49 1 1 C H3' 1 1 C H6 . . 3.503 2.938 2.938 2.938 . 0 0 "[ ]" 1
50 1 1 C H2' 1 1 C H6 . 2.742 5.093 3.903 3.903 3.903 . 0 0 "[ ]" 1
51 1 1 C H4' 1 1 C H6 . 2.484 4.614 4.238 4.238 4.238 . 0 0 "[ ]" 1
52 1 1 C H5' 1 1 C H6 . 2.245 4.170 3.673 3.673 3.673 . 0 0 "[ ]" 1
53 1 1 C H4' 1 2 IG H8 . 3.115 5.786 4.910 4.910 4.910 . 0 0 "[ ]" 1
54 1 1 C H2' 1 2 IG H8 . . 3.003 2.289 2.289 2.289 . 0 0 "[ ]" 1
55 1 1 C H3' 1 2 IG H8 . . 3.583 2.244 2.244 2.244 . 0 0 "[ ]" 1
56 1 2 IG H2' 1 2 IG H8 . 2.421 4.496 4.015 4.015 4.015 . 0 0 "[ ]" 1
57 1 2 IG H3' 1 2 IG H8 . 2.507 4.655 2.982 2.982 2.982 . 0 0 "[ ]" 1
58 1 2 IG H3' 1 3 C H6 . 2.806 5.211 3.185 3.185 3.185 . 0 0 "[ ]" 1
59 1 2 IG H2' 1 3 C H6 . . 3.195 2.295 2.295 2.295 . 0 0 "[ ]" 1
60 1 3 C H3' 1 3 C H6 . . 3.150 2.490 2.490 2.490 . 0 0 "[ ]" 1
61 1 3 C H2' 1 3 C H6 . 2.152 6.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
62 1 3 C H4' 1 3 C H6 . 2.152 6.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
63 1 3 C H5' 1 3 C H6 . 2.268 4.213 3.841 3.841 3.841 . 0 0 "[ ]" 1
64 1 4 G H2' 1 5 IC H6 . . 3.007 2.171 2.171 2.171 . 0 0 "[ ]" 1
65 1 5 IC H3' 1 5 IC H6 . . 6.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
66 1 5 IC H2' 1 5 IC H6 . . 6.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
67 1 4 G H3' 1 5 IC H6 . . 3.699 3.320 3.320 3.320 . 0 0 "[ ]" 1
68 1 5 IC H2' 1 6 G H8 . . 3.101 2.201 2.201 2.201 . 0 0 "[ ]" 1
69 1 5 IC H3' 1 6 G H8 . 2.128 6.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
70 1 6 G H4' 1 6 G H8 . 2.128 6.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
71 1 6 G H3' 1 6 G H8 . . 3.214 2.871 2.871 2.871 . 0 0 "[ ]" 1
72 1 6 G H2' 1 6 G H8 . . 6.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
73 1 6 G H5' 1 6 G H8 . . 6.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
74 1 4 G H5' 1 4 G H8 . 2.125 3.947 3.969 3.969 3.969 0.022 1 0 "[ ]" 1
75 1 4 G H2' 1 4 G H8 . 2.244 4.167 3.967 3.967 3.967 . 0 0 "[ ]" 1
76 1 3 C H2' 1 4 G H8 . . 2.925 2.108 2.108 2.108 . 0 0 "[ ]" 1
77 1 4 G H3' 1 4 G H8 . . 3.332 2.914 2.914 2.914 . 0 0 "[ ]" 1
78 1 3 C H3' 1 4 G H8 . . 3.622 3.283 3.283 3.283 . 0 0 "[ ]" 1
79 2 1 C H1' 2 1 C H6 . 2.483 4.612 3.626 3.626 3.626 . 0 0 "[ ]" 1
80 2 1 C H1' 2 2 IG H8 . 2.593 4.816 4.862 4.862 4.862 0.046 1 0 "[ ]" 1
81 2 2 IG H1' 2 2 IG H8 . 2.519 4.679 3.789 3.789 3.789 . 0 0 "[ ]" 1
82 2 2 IG H1' 2 3 C H6 . 2.635 4.893 4.897 4.897 4.897 0.004 1 0 "[ ]" 1
83 2 3 C H1' 2 3 C H6 . 2.518 4.676 3.683 3.683 3.683 . 0 0 "[ ]" 1
84 2 3 C H1' 2 4 G H8 . 2.552 4.740 4.714 4.714 4.714 . 0 0 "[ ]" 1
85 2 4 G H1' 2 4 G H8 . 2.472 4.591 3.801 3.801 3.801 . 0 0 "[ ]" 1
86 2 4 G H1' 2 5 IC H6 . 2.729 5.068 4.775 4.775 4.775 . 0 0 "[ ]" 1
87 2 5 IC H1' 2 5 IC H6 . 2.524 4.688 3.651 3.651 3.651 . 0 0 "[ ]" 1
88 2 5 IC H1' 2 6 G H8 . 3.099 5.756 4.765 4.765 4.765 . 0 0 "[ ]" 1
89 2 6 G H1' 2 6 G H8 . 2.476 4.598 3.817 3.817 3.817 . 0 0 "[ ]" 1
90 2 1 C H5 2 1 C H6 . . 3.189 2.418 2.418 2.418 . 0 0 "[ ]" 1
91 2 3 C H5 2 3 C H6 . . 3.217 2.405 2.405 2.405 . 0 0 "[ ]" 1
92 2 5 IC H5 2 5 IC H6 . . 3.152 2.413 2.413 2.413 . 0 0 "[ ]" 1
93 2 4 G H8 2 5 IC H5 . 2.765 5.134 4.192 4.192 4.192 . 0 0 "[ ]" 1
94 2 2 IG H8 2 3 C H5 . 2.851 5.296 4.175 4.175 4.175 . 0 0 "[ ]" 1
95 2 1 C H3' 2 1 C H5 . 3.107 5.771 4.988 4.988 4.988 . 0 0 "[ ]" 1
96 2 5 IC H2' 2 6 G H1' . 3.076 5.713 3.979 3.979 3.979 . 0 0 "[ ]" 1
97 2 6 G H1' 2 6 G H2' . . 3.287 2.762 2.762 2.762 . 0 0 "[ ]" 1
98 2 1 C H2' 2 2 IG H1' . . 6.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
99 2 2 IG H1' 2 2 IG H4' . . 6.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
100 2 2 IG H1' 2 2 IG H3' . 2.812 5.222 3.811 3.811 3.811 . 0 0 "[ ]" 1
101 2 2 IG H1' 2 2 IG H2' . . 3.329 2.733 2.733 2.733 . 0 0 "[ ]" 1
102 2 4 G H1' 2 4 G H3' . 2.143 3.979 3.801 3.801 3.801 . 0 0 "[ ]" 1
103 2 3 C H2' 2 4 G H1' . . 6.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
104 2 4 G H1' 2 4 G H4' . . 6.000 3.304 3.304 3.304 . 0 0 "[ ]" 1
105 2 4 G H1' 2 4 G H2' . . 3.198 2.731 2.731 2.731 . 0 0 "[ ]" 1
106 2 4 G H1' 2 4 G H5' . 2.785 5.172 4.720 4.720 4.720 . 0 0 "[ ]" 1
107 2 2 IG H2' 2 3 C H1' . 2.518 4.676 3.976 3.976 3.976 . 0 0 "[ ]" 1
108 2 3 C H1' 2 3 C H3' . 2.093 3.888 3.780 3.780 3.780 . 0 0 "[ ]" 1
109 2 3 C H1' 2 3 C H2' . . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
110 2 3 C H1' 2 3 C H4' . . 6.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
111 2 3 C H1' 2 3 C H5' . 2.620 4.866 4.712 4.712 4.712 . 0 0 "[ ]" 1
112 2 1 C H1' 2 1 C H5'' . 2.706 5.025 5.077 5.077 5.077 0.052 1 0 "[ ]" 1
113 2 1 C H1' 2 1 C H5' . 3.007 5.585 4.550 4.550 4.550 . 0 0 "[ ]" 1
114 2 1 C H1' 2 1 C H4' . 2.018 3.747 3.080 3.080 3.080 . 0 0 "[ ]" 1
115 2 1 C H1' 2 1 C H2' . . 3.269 2.767 2.767 2.767 . 0 0 "[ ]" 1
116 2 1 C H1' 2 1 C H3' . 2.267 4.210 3.743 3.743 3.743 . 0 0 "[ ]" 1
117 2 5 IC H1' 2 5 IC H2' . . 3.074 2.767 2.767 2.767 . 0 0 "[ ]" 1
118 2 5 IC H1' 2 5 IC H4' . . 3.535 3.238 3.238 3.238 . 0 0 "[ ]" 1
119 2 4 G H2' 2 5 IC H1' . 2.349 4.363 3.946 3.946 3.946 . 0 0 "[ ]" 1
120 2 2 IG H3' 2 3 C H5 . 2.695 5.005 3.694 3.694 3.694 . 0 0 "[ ]" 1
121 2 2 IG H2' 2 3 C H5 . 2.272 4.219 3.891 3.891 3.891 . 0 0 "[ ]" 1
122 2 3 C H3' 2 3 C H5 . 2.362 4.387 4.393 4.393 4.393 0.006 1 0 "[ ]" 1
123 2 4 G H3' 2 5 IC H5 . 2.249 4.177 3.821 3.821 3.821 . 0 0 "[ ]" 1
124 2 5 IC H2' 2 5 IC H5 . 2.292 6.000 5.263 5.263 5.263 . 0 0 "[ ]" 1
125 2 5 IC H3' 2 5 IC H5 . 2.292 6.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
126 2 4 G H2' 2 5 IC H5 . 2.091 3.883 3.762 3.762 3.762 . 0 0 "[ ]" 1
127 2 1 C H3' 2 1 C H6 . . 3.503 2.918 2.918 2.918 . 0 0 "[ ]" 1
128 2 1 C H2' 2 1 C H6 . 2.742 5.093 3.904 3.904 3.904 . 0 0 "[ ]" 1
129 2 1 C H4' 2 1 C H6 . 2.484 4.614 4.232 4.232 4.232 . 0 0 "[ ]" 1
130 2 1 C H5' 2 1 C H6 . 2.245 4.170 3.662 3.662 3.662 . 0 0 "[ ]" 1
131 2 1 C H4' 2 2 IG H8 . 3.115 5.786 4.954 4.954 4.954 . 0 0 "[ ]" 1
132 2 1 C H2' 2 2 IG H8 . . 3.003 2.300 2.300 2.300 . 0 0 "[ ]" 1
133 2 1 C H3' 2 2 IG H8 . . 3.583 2.253 2.253 2.253 . 0 0 "[ ]" 1
134 2 2 IG H2' 2 2 IG H8 . 2.421 4.496 4.008 4.008 4.008 . 0 0 "[ ]" 1
135 2 2 IG H3' 2 2 IG H8 . 2.507 4.655 2.956 2.956 2.956 . 0 0 "[ ]" 1
136 2 2 IG H3' 2 3 C H6 . 2.806 5.211 3.212 3.212 3.212 . 0 0 "[ ]" 1
137 2 2 IG H2' 2 3 C H6 . . 3.195 2.293 2.293 2.293 . 0 0 "[ ]" 1
138 2 3 C H3' 2 3 C H6 . . 3.150 2.495 2.495 2.495 . 0 0 "[ ]" 1
139 2 3 C H2' 2 3 C H6 . 2.152 6.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
140 2 3 C H4' 2 3 C H6 . 2.152 6.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
141 2 3 C H5' 2 3 C H6 . 2.268 4.213 3.834 3.834 3.834 . 0 0 "[ ]" 1
142 2 4 G H2' 2 5 IC H6 . . 3.007 2.171 2.171 2.171 . 0 0 "[ ]" 1
143 2 5 IC H2' 2 5 IC H6 . . 6.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
144 2 5 IC H3' 2 5 IC H6 . . 6.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
145 2 4 G H3' 2 5 IC H6 . . 3.699 3.285 3.285 3.285 . 0 0 "[ ]" 1
146 2 5 IC H2' 2 6 G H8 . . 3.101 2.210 2.210 2.210 . 0 0 "[ ]" 1
147 2 5 IC H3' 2 6 G H8 . 2.128 6.000 2.987 2.987 2.987 . 0 0 "[ ]" 1
148 2 6 G H4' 2 6 G H8 . 2.128 6.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
149 2 6 G H3' 2 6 G H8 . . 3.214 2.879 2.879 2.879 . 0 0 "[ ]" 1
150 2 6 G H2' 2 6 G H8 . . 6.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
151 2 6 G H5' 2 6 G H8 . . 6.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
152 2 4 G H5' 2 4 G H8 . 2.125 3.947 3.967 3.967 3.967 0.020 1 0 "[ ]" 1
153 2 4 G H2' 2 4 G H8 . 2.244 4.167 3.994 3.994 3.994 . 0 0 "[ ]" 1
154 2 3 C H2' 2 4 G H8 . . 2.925 2.118 2.118 2.118 . 0 0 "[ ]" 1
155 2 4 G H3' 2 4 G H8 . . 3.332 2.931 2.931 2.931 . 0 0 "[ ]" 1
156 2 3 C H3' 2 4 G H8 . . 3.622 3.248 3.248 3.248 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.011
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0054
_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 C 0.005 0.005 1 0 "[ ]"
1 2 IG 0.000 0.000 . 0 "[ ]"
1 3 C 0.000 0.000 . 0 "[ ]"
1 4 G 0.000 0.000 . 0 "[ ]"
1 5 IC 0.000 0.000 . 0 "[ ]"
1 6 G 0.006 0.006 1 0 "[ ]"
2 1 C 0.006 0.006 1 0 "[ ]"
2 2 IG 0.000 0.000 . 0 "[ ]"
2 3 C 0.000 0.000 . 0 "[ ]"
2 4 G 0.000 0.000 . 0 "[ ]"
2 5 IC 0.000 0.000 . 0 "[ ]"
2 6 G 0.005 0.005 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 G O6 2 1 C H41 . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 2
2 1 6 G H1 2 1 C N3 . . 2.000 1.938 1.938 1.938 . 0 0 "[ ]" 2
3 1 6 G H21 2 1 C O2 . . 2.000 1.968 1.968 1.968 . 0 0 "[ ]" 2
4 1 4 G O6 2 3 C H41 . . 2.000 1.988 1.988 1.988 . 0 0 "[ ]" 2
5 1 4 G H1 2 3 C N3 . . 2.000 1.927 1.927 1.927 . 0 0 "[ ]" 2
6 1 4 G H21 2 3 C O2 . . 2.000 1.861 1.861 1.861 . 0 0 "[ ]" 2
7 1 3 C H41 2 4 G O6 . . 2.000 1.995 1.995 1.995 . 0 0 "[ ]" 2
8 1 3 C N3 2 4 G H1 . . 2.000 1.928 1.928 1.928 . 0 0 "[ ]" 2
9 1 3 C O2 2 4 G H21 . . 2.000 1.863 1.863 1.863 . 0 0 "[ ]" 2
10 1 1 C H41 2 6 G O6 . . 2.000 2.005 2.005 2.005 0.005 1 0 "[ ]" 2
11 1 1 C N3 2 6 G H1 . . 2.000 1.944 1.944 1.944 . 0 0 "[ ]" 2
12 1 1 C O2 2 6 G H21 . . 2.000 1.992 1.992 1.992 . 0 0 "[ ]" 2
13 1 5 IC N3 2 2 IG H1 . . 2.000 1.915 1.915 1.915 . 0 0 "[ ]" 2
14 1 2 IG H1 2 5 IC N3 . . 2.000 1.913 1.913 1.913 . 0 0 "[ ]" 2
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