NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387909 |
1mv1   |
5588 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mv1
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 172
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.111
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 0.000 0.000 . 0 "[ ]"
1 2 G 0.013 0.013 1 0 "[ ]"
1 3 C 0.013 0.013 1 0 "[ ]"
1 4 P5P 0.010 0.006 1 0 "[ ]"
1 5 A 0.037 0.034 1 0 "[ ]"
1 6 G 0.037 0.034 1 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 C 0.000 0.000 . 0 "[ ]"
1 9 U 0.000 0.000 . 0 "[ ]"
2 1 G 0.000 0.000 . 0 "[ ]"
2 2 G 0.010 0.010 1 0 "[ ]"
2 3 C 0.010 0.010 1 0 "[ ]"
2 4 P5P 0.010 0.006 1 0 "[ ]"
2 5 A 0.040 0.031 1 0 "[ ]"
2 6 G 0.040 0.031 1 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 C 0.000 0.000 . 0 "[ ]"
2 9 U 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 G H1' 1 1 G H8 . 2.673 4.964 3.719 3.719 3.719 . 0 0 "[ ]" 1
2 1 1 G H4' 1 1 G H8 . 2.647 4.916 4.317 4.317 4.317 . 0 0 "[ ]" 1
3 1 1 G H1' 1 1 G H4' . 2.179 4.047 3.372 3.372 3.372 . 0 0 "[ ]" 1
4 1 1 G H1' 1 2 G H8 . 2.642 4.907 4.775 4.775 4.775 . 0 0 "[ ]" 1
5 1 1 G H2' 1 1 G H8 . 2.877 5.343 4.215 4.215 4.215 . 0 0 "[ ]" 1
6 1 1 G H1' 1 1 G H2' . . 3.543 2.722 2.722 2.722 . 0 0 "[ ]" 1
7 1 1 G H2' 1 1 G H3' . . 2.925 2.416 2.416 2.416 . 0 0 "[ ]" 1
8 1 1 G H2' 1 2 G H8 . . 3.141 2.254 2.254 2.254 . 0 0 "[ ]" 1
9 1 2 G H1' 1 2 G H8 . 2.441 4.534 3.768 3.768 3.768 . 0 0 "[ ]" 1
10 1 1 G H3' 1 2 G H8 . . 3.195 3.095 3.095 3.095 . 0 0 "[ ]" 1
11 1 1 G H3' 1 1 G H8 . 2.456 4.562 3.060 3.060 3.060 . 0 0 "[ ]" 1
12 1 2 G H1' 1 2 G H2' . . 3.420 2.726 2.726 2.726 . 0 0 "[ ]" 1
13 1 2 G H2' 1 3 C H6 . . 3.055 2.195 2.195 2.195 . 0 0 "[ ]" 1
14 1 2 G H3' 1 2 G H8 . 2.195 4.076 3.015 3.015 3.015 . 0 0 "[ ]" 1
15 1 2 G H1' 1 2 G H4' . 2.370 4.402 3.343 3.343 3.343 . 0 0 "[ ]" 1
16 1 2 G H2' 1 3 C H5 . 2.050 3.807 3.820 3.820 3.820 0.013 1 0 "[ ]" 1
17 1 3 C H5 1 3 C H6 . . 3.390 2.407 2.407 2.407 . 0 0 "[ ]" 1
18 1 3 C H1' 1 3 C H6 . 3.065 5.691 3.631 3.631 3.631 . 0 0 "[ ]" 1
19 1 3 C H3' 1 3 C H6 . . 3.371 2.837 2.837 2.837 . 0 0 "[ ]" 1
20 1 2 G H2' 1 3 C H1' . 2.652 4.925 4.087 4.087 4.087 . 0 0 "[ ]" 1
21 1 3 C H1' 1 3 C H2' . . 3.310 2.744 2.744 2.744 . 0 0 "[ ]" 1
22 1 3 C H1' 1 4 P5P H8 . 2.822 5.240 4.831 4.831 4.831 . 0 0 "[ ]" 1
23 1 3 C H1' 1 3 C H3' . 2.594 4.818 3.802 3.802 3.802 . 0 0 "[ ]" 1
24 1 3 C H3' 1 4 P5P H8 . 2.834 5.263 2.855 2.855 2.855 . 0 0 "[ ]" 1
25 1 3 C H6 1 4 P5P H8 . 3.151 5.852 4.486 4.486 4.486 . 0 0 "[ ]" 1
26 1 3 C H2' 1 4 P5P H8 . . 3.483 2.265 2.265 2.265 . 0 0 "[ ]" 1
27 1 4 P5P H1' 1 4 P5P H8 . 2.687 4.990 3.824 3.824 3.824 . 0 0 "[ ]" 1
28 1 4 P5P H3' 1 4 P5P H8 . 2.229 4.140 2.777 2.777 2.777 . 0 0 "[ ]" 1
29 1 3 C H2' 1 4 P5P H1' . 2.272 4.219 3.961 3.961 3.961 . 0 0 "[ ]" 1
30 1 4 P5P H1' 1 4 P5P H3' . 2.690 4.996 3.781 3.781 3.781 . 0 0 "[ ]" 1
31 1 4 P5P H2' 1 4 P5P H8 . 2.452 4.554 3.977 3.977 3.977 . 0 0 "[ ]" 1
32 1 4 P5P H1' 1 4 P5P H2' . . 3.558 2.725 2.725 2.725 . 0 0 "[ ]" 1
33 1 4 P5P H2' 1 5 A H8 . . 3.651 2.422 2.422 2.422 . 0 0 "[ ]" 1
34 1 5 A H2 1 5 A H2' . 3.021 5.611 4.420 4.420 4.420 . 0 0 "[ ]" 1
35 1 5 A H2 1 6 G H1' . 2.168 4.026 3.553 3.553 3.553 . 0 0 "[ ]" 1
36 1 4 P5P H1' 1 5 A H8 . 2.978 5.530 4.282 4.282 4.282 . 0 0 "[ ]" 1
37 1 5 A H8 1 6 G H8 . 2.672 4.961 3.935 3.935 3.935 . 0 0 "[ ]" 1
38 1 5 A H1' 1 5 A H8 . 2.682 4.981 3.698 3.698 3.698 . 0 0 "[ ]" 1
39 1 5 A H1' 1 5 A H3' . 2.253 4.184 3.755 3.755 3.755 . 0 0 "[ ]" 1
40 1 5 A H1' 1 5 A H4' . 2.192 4.070 3.451 3.451 3.451 . 0 0 "[ ]" 1
41 1 5 A H2' 1 5 A H8 . 2.685 4.986 4.245 4.245 4.245 . 0 0 "[ ]" 1
42 1 5 A H1' 1 5 A H2' . . 3.651 2.711 2.711 2.711 . 0 0 "[ ]" 1
43 1 5 A H3' 1 5 A H8 . 2.266 4.209 3.134 3.134 3.134 . 0 0 "[ ]" 1
44 1 5 A H2' 1 5 A H3' . . 3.560 2.398 2.398 2.398 . 0 0 "[ ]" 1
45 1 5 A H3' 1 6 G H8 . . 3.375 2.109 2.109 2.109 . 0 0 "[ ]" 1
46 1 5 A H2' 1 6 G H8 . . 3.611 3.615 3.615 3.615 0.004 1 0 "[ ]" 1
47 1 6 G H2' 1 6 G H8 . 2.734 5.078 4.071 4.071 4.071 . 0 0 "[ ]" 1
48 1 6 G H3' 1 6 G H8 . . 3.221 2.911 2.911 2.911 . 0 0 "[ ]" 1
49 1 6 G H4' 1 6 G H8 . 2.538 4.714 4.364 4.364 4.364 . 0 0 "[ ]" 1
50 1 6 G H8 1 7 C H5 . 2.809 5.216 4.337 4.337 4.337 . 0 0 "[ ]" 1
51 1 5 A H2' 1 6 G H1' . 2.059 3.824 3.858 3.858 3.858 0.034 1 0 "[ ]" 1
52 1 6 G H1' 1 6 G H8 . 2.415 4.484 3.778 3.778 3.778 . 0 0 "[ ]" 1
53 1 6 G H2' 1 7 C H5 . 2.309 4.289 3.990 3.990 3.990 . 0 0 "[ ]" 1
54 1 6 G H2' 1 7 C H6 . . 3.098 2.239 2.239 2.239 . 0 0 "[ ]" 1
55 1 6 G H2' 1 7 C H1' . 2.975 5.525 4.099 4.099 4.099 . 0 0 "[ ]" 1
56 1 6 G H3' 1 7 C H5 . 2.155 4.002 3.822 3.822 3.822 . 0 0 "[ ]" 1
57 1 7 C H5 1 7 C H6 . . 3.211 2.410 2.410 2.410 . 0 0 "[ ]" 1
58 1 7 C H6 1 8 C H5 . 3.180 5.907 4.414 4.414 4.414 . 0 0 "[ ]" 1
59 1 7 C H1' 1 7 C H6 . 2.800 5.200 3.628 3.628 3.628 . 0 0 "[ ]" 1
60 1 7 C H1' 1 8 C H6 . 2.962 5.501 4.765 4.765 4.765 . 0 0 "[ ]" 1
61 1 7 C H1' 1 7 C H2' . . 3.469 2.736 2.736 2.736 . 0 0 "[ ]" 1
62 1 7 C H2' 1 8 C H5 . 2.404 4.465 3.761 3.761 3.761 . 0 0 "[ ]" 1
63 1 7 C H2' 1 8 C H6 . . 2.951 2.163 2.163 2.163 . 0 0 "[ ]" 1
64 1 7 C H3' 1 7 C H6 . . 3.306 2.760 2.760 2.760 . 0 0 "[ ]" 1
65 1 7 C H1' 1 7 C H3' . 2.416 4.487 3.766 3.766 3.766 . 0 0 "[ ]" 1
66 1 7 C H3' 1 8 C H5 . 3.208 5.957 3.891 3.891 3.891 . 0 0 "[ ]" 1
67 1 8 C H5 1 9 U H5 . 2.431 4.515 3.525 3.525 3.525 . 0 0 "[ ]" 1
68 1 7 C H3' 1 8 C H6 . . 3.487 3.353 3.353 3.353 . 0 0 "[ ]" 1
69 1 8 C H5 1 8 C H6 . . 3.315 2.416 2.416 2.416 . 0 0 "[ ]" 1
70 1 8 C H1' 1 8 C H6 . 2.501 4.645 3.650 3.650 3.650 . 0 0 "[ ]" 1
71 1 8 C H2' 1 8 C H6 . 2.297 4.265 3.826 3.826 3.826 . 0 0 "[ ]" 1
72 1 8 C H1' 1 8 C H2' . . 3.381 2.745 2.745 2.745 . 0 0 "[ ]" 1
73 1 8 C H2' 1 9 U H6 . . 3.406 2.377 2.377 2.377 . 0 0 "[ ]" 1
74 1 8 C H2' 1 9 U H1' . 2.952 5.483 4.063 4.063 4.063 . 0 0 "[ ]" 1
75 1 8 C H1' 1 8 C H3' . 2.427 4.508 3.781 3.781 3.781 . 0 0 "[ ]" 1
76 1 8 C H3' 1 9 U H6 . 2.430 4.512 3.091 3.091 3.091 . 0 0 "[ ]" 1
77 1 9 U H5 1 9 U H6 . . 3.184 2.418 2.418 2.418 . 0 0 "[ ]" 1
78 1 9 U H1' 1 9 U H6 . 2.816 5.230 3.662 3.662 3.662 . 0 0 "[ ]" 1
79 1 9 U H1' 1 9 U H3' . 2.064 3.834 3.812 3.812 3.812 . 0 0 "[ ]" 1
80 1 9 U H2' 1 9 U H6 . 2.276 4.227 3.715 3.715 3.715 . 0 0 "[ ]" 1
81 1 9 U H1' 1 9 U H2' . 2.050 3.807 2.789 2.789 2.789 . 0 0 "[ ]" 1
82 1 9 U H3' 1 9 U H5 . 2.943 5.466 4.533 4.533 4.533 . 0 0 "[ ]" 1
83 1 9 U H3' 1 9 U H6 . 2.143 3.981 2.685 2.685 2.685 . 0 0 "[ ]" 1
84 2 1 G H1' 2 1 G H8 . 2.673 4.964 3.716 3.716 3.716 . 0 0 "[ ]" 1
85 2 1 G H4' 2 1 G H8 . 2.647 4.916 4.303 4.303 4.303 . 0 0 "[ ]" 1
86 2 1 G H1' 2 1 G H4' . 2.179 4.047 3.406 3.406 3.406 . 0 0 "[ ]" 1
87 2 1 G H1' 2 2 G H8 . 2.642 4.907 4.776 4.776 4.776 . 0 0 "[ ]" 1
88 2 1 G H2' 2 1 G H8 . 2.877 5.343 4.227 4.227 4.227 . 0 0 "[ ]" 1
89 2 1 G H1' 2 1 G H2' . . 3.543 2.717 2.717 2.717 . 0 0 "[ ]" 1
90 2 1 G H2' 2 1 G H3' . . 2.925 2.409 2.409 2.409 . 0 0 "[ ]" 1
91 2 1 G H2' 2 2 G H8 . . 3.141 2.255 2.255 2.255 . 0 0 "[ ]" 1
92 2 2 G H1' 2 2 G H8 . 2.441 4.534 3.768 3.768 3.768 . 0 0 "[ ]" 1
93 2 1 G H3' 2 2 G H8 . . 3.195 3.074 3.074 3.074 . 0 0 "[ ]" 1
94 2 1 G H3' 2 1 G H8 . 2.456 4.562 3.090 3.090 3.090 . 0 0 "[ ]" 1
95 2 2 G H1' 2 2 G H2' . . 3.420 2.726 2.726 2.726 . 0 0 "[ ]" 1
96 2 2 G H2' 2 3 C H6 . . 3.055 2.209 2.209 2.209 . 0 0 "[ ]" 1
97 2 2 G H3' 2 2 G H8 . 2.195 4.076 3.022 3.022 3.022 . 0 0 "[ ]" 1
98 2 2 G H1' 2 2 G H4' . 2.370 4.402 3.342 3.342 3.342 . 0 0 "[ ]" 1
99 2 2 G H2' 2 3 C H5 . 2.050 3.807 3.817 3.817 3.817 0.010 1 0 "[ ]" 1
100 2 3 C H5 2 3 C H6 . . 3.390 2.408 2.408 2.408 . 0 0 "[ ]" 1
101 2 3 C H1' 2 3 C H6 . 3.065 5.691 3.639 3.639 3.639 . 0 0 "[ ]" 1
102 2 3 C H3' 2 3 C H6 . . 3.371 2.806 2.806 2.806 . 0 0 "[ ]" 1
103 2 2 G H2' 2 3 C H1' . 2.652 4.925 4.106 4.106 4.106 . 0 0 "[ ]" 1
104 2 3 C H1' 2 3 C H2' . . 3.310 2.745 2.745 2.745 . 0 0 "[ ]" 1
105 2 3 C H1' 2 4 P5P H8 . 2.822 5.240 4.842 4.842 4.842 . 0 0 "[ ]" 1
106 2 3 C H1' 2 3 C H3' . 2.594 4.818 3.802 3.802 3.802 . 0 0 "[ ]" 1
107 2 3 C H3' 2 4 P5P H8 . 2.834 5.263 2.863 2.863 2.863 . 0 0 "[ ]" 1
108 2 3 C H6 2 4 P5P H8 . 3.151 5.852 4.457 4.457 4.457 . 0 0 "[ ]" 1
109 2 3 C H2' 2 4 P5P H8 . . 3.483 2.270 2.270 2.270 . 0 0 "[ ]" 1
110 2 4 P5P H1' 2 4 P5P H8 . 2.687 4.990 3.827 3.827 3.827 . 0 0 "[ ]" 1
111 2 4 P5P H3' 2 4 P5P H8 . 2.229 4.140 2.769 2.769 2.769 . 0 0 "[ ]" 1
112 2 3 C H2' 2 4 P5P H1' . 2.272 4.219 3.960 3.960 3.960 . 0 0 "[ ]" 1
113 2 4 P5P H1' 2 4 P5P H3' . 2.690 4.996 3.782 3.782 3.782 . 0 0 "[ ]" 1
114 2 4 P5P H2' 2 4 P5P H8 . 2.452 4.554 3.969 3.969 3.969 . 0 0 "[ ]" 1
115 2 4 P5P H1' 2 4 P5P H2' . . 3.558 2.726 2.726 2.726 . 0 0 "[ ]" 1
116 2 4 P5P H2' 2 5 A H8 . . 3.651 2.409 2.409 2.409 . 0 0 "[ ]" 1
117 2 5 A H2 2 5 A H2' . 3.021 5.611 4.419 4.419 4.419 . 0 0 "[ ]" 1
118 2 5 A H2 2 6 G H1' . 2.168 4.026 3.556 3.556 3.556 . 0 0 "[ ]" 1
119 2 4 P5P H1' 2 5 A H8 . 2.978 5.530 4.276 4.276 4.276 . 0 0 "[ ]" 1
120 2 5 A H8 2 6 G H8 . 2.672 4.961 3.934 3.934 3.934 . 0 0 "[ ]" 1
121 2 5 A H1' 2 5 A H8 . 2.682 4.981 3.697 3.697 3.697 . 0 0 "[ ]" 1
122 2 5 A H1' 2 5 A H3' . 2.253 4.184 3.757 3.757 3.757 . 0 0 "[ ]" 1
123 2 5 A H1' 2 5 A H4' . 2.192 4.070 3.450 3.450 3.450 . 0 0 "[ ]" 1
124 2 5 A H2' 2 5 A H8 . 2.685 4.986 4.241 4.241 4.241 . 0 0 "[ ]" 1
125 2 5 A H1' 2 5 A H2' . . 3.651 2.711 2.711 2.711 . 0 0 "[ ]" 1
126 2 5 A H3' 2 5 A H8 . 2.266 4.209 3.141 3.141 3.141 . 0 0 "[ ]" 1
127 2 5 A H2' 2 5 A H3' . . 3.560 2.396 2.396 2.396 . 0 0 "[ ]" 1
128 2 5 A H3' 2 6 G H8 . . 3.375 2.117 2.117 2.117 . 0 0 "[ ]" 1
129 2 5 A H2' 2 6 G H8 . . 3.611 3.620 3.620 3.620 0.009 1 0 "[ ]" 1
130 2 6 G H2' 2 6 G H8 . 2.734 5.078 4.040 4.040 4.040 . 0 0 "[ ]" 1
131 2 6 G H3' 2 6 G H8 . . 3.221 2.892 2.892 2.892 . 0 0 "[ ]" 1
132 2 6 G H4' 2 6 G H8 . 2.538 4.714 4.385 4.385 4.385 . 0 0 "[ ]" 1
133 2 6 G H8 2 7 C H5 . 2.809 5.216 4.398 4.398 4.398 . 0 0 "[ ]" 1
134 2 5 A H2' 2 6 G H1' . 2.059 3.824 3.855 3.855 3.855 0.031 1 0 "[ ]" 1
135 2 6 G H1' 2 6 G H8 . 2.415 4.484 3.777 3.777 3.777 . 0 0 "[ ]" 1
136 2 6 G H2' 2 7 C H5 . 2.309 4.289 3.925 3.925 3.925 . 0 0 "[ ]" 1
137 2 6 G H2' 2 7 C H6 . . 3.098 2.198 2.198 2.198 . 0 0 "[ ]" 1
138 2 6 G H2' 2 7 C H1' . 2.975 5.525 4.077 4.077 4.077 . 0 0 "[ ]" 1
139 2 6 G H3' 2 7 C H5 . 2.155 4.002 3.861 3.861 3.861 . 0 0 "[ ]" 1
140 2 7 C H5 2 7 C H6 . . 3.211 2.407 2.407 2.407 . 0 0 "[ ]" 1
141 2 7 C H6 2 8 C H5 . 3.180 5.907 4.360 4.360 4.360 . 0 0 "[ ]" 1
142 2 7 C H1' 2 7 C H6 . 2.800 5.200 3.631 3.631 3.631 . 0 0 "[ ]" 1
143 2 7 C H1' 2 8 C H6 . 2.962 5.501 4.753 4.753 4.753 . 0 0 "[ ]" 1
144 2 7 C H1' 2 7 C H2' . . 3.469 2.733 2.733 2.733 . 0 0 "[ ]" 1
145 2 7 C H2' 2 8 C H5 . 2.404 4.465 3.765 3.765 3.765 . 0 0 "[ ]" 1
146 2 7 C H2' 2 8 C H6 . . 2.951 2.159 2.159 2.159 . 0 0 "[ ]" 1
147 2 7 C H3' 2 7 C H6 . . 3.306 2.746 2.746 2.746 . 0 0 "[ ]" 1
148 2 7 C H1' 2 7 C H3' . 2.416 4.487 3.765 3.765 3.765 . 0 0 "[ ]" 1
149 2 7 C H3' 2 8 C H5 . 3.208 5.957 3.861 3.861 3.861 . 0 0 "[ ]" 1
150 2 8 C H5 2 9 U H5 . 2.431 4.515 3.521 3.521 3.521 . 0 0 "[ ]" 1
151 2 7 C H3' 2 8 C H6 . . 3.487 3.326 3.326 3.326 . 0 0 "[ ]" 1
152 2 8 C H5 2 8 C H6 . . 3.315 2.415 2.415 2.415 . 0 0 "[ ]" 1
153 2 8 C H1' 2 8 C H6 . 2.501 4.645 3.649 3.649 3.649 . 0 0 "[ ]" 1
154 2 8 C H2' 2 8 C H6 . 2.297 4.265 3.835 3.835 3.835 . 0 0 "[ ]" 1
155 2 8 C H1' 2 8 C H2' . . 3.381 2.743 2.743 2.743 . 0 0 "[ ]" 1
156 2 8 C H2' 2 9 U H6 . . 3.406 2.345 2.345 2.345 . 0 0 "[ ]" 1
157 2 8 C H2' 2 9 U H1' . 2.952 5.483 4.059 4.059 4.059 . 0 0 "[ ]" 1
158 2 8 C H1' 2 8 C H3' . 2.427 4.508 3.778 3.778 3.778 . 0 0 "[ ]" 1
159 2 8 C H3' 2 9 U H6 . 2.430 4.512 3.053 3.053 3.053 . 0 0 "[ ]" 1
160 2 9 U H5 2 9 U H6 . . 3.184 2.417 2.417 2.417 . 0 0 "[ ]" 1
161 2 9 U H1' 2 9 U H6 . 2.816 5.230 3.659 3.659 3.659 . 0 0 "[ ]" 1
162 2 9 U H1' 2 9 U H3' . 2.064 3.834 3.820 3.820 3.820 . 0 0 "[ ]" 1
163 2 9 U H2' 2 9 U H6 . 2.276 4.227 3.728 3.728 3.728 . 0 0 "[ ]" 1
164 2 9 U H1' 2 9 U H2' . 2.050 3.807 2.784 2.784 2.784 . 0 0 "[ ]" 1
165 2 9 U H3' 2 9 U H5 . 2.943 5.466 4.565 4.565 4.565 . 0 0 "[ ]" 1
166 2 9 U H3' 2 9 U H6 . 2.143 3.981 2.724 2.724 2.724 . 0 0 "[ ]" 1
167 1 4 P5P H2 2 4 P5P H2' . 2.844 5.281 2.840 2.840 2.840 0.004 1 0 "[ ]" 1
168 1 4 P5P H2' 2 4 P5P H2 . 2.844 5.281 2.838 2.838 2.838 0.006 1 0 "[ ]" 1
169 1 5 A H8 2 4 P5P H2 . 3.048 5.661 3.103 3.103 3.103 . 0 0 "[ ]" 1
170 1 4 P5P H2 2 5 A H8 . 3.048 5.661 3.111 3.111 3.111 . 0 0 "[ ]" 1
171 1 5 A H1' 2 5 A H2 . 2.275 4.224 2.942 2.942 2.942 . 0 0 "[ ]" 1
172 1 5 A H2 2 5 A H1' . 2.275 4.224 2.942 2.942 2.942 . 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 18
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 2 G 0.000 0.000 . 0 "[ ]"
1 3 C 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 C 0.000 0.000 . 0 "[ ]"
2 1 G 0.000 0.000 . 0 "[ ]"
2 2 G 0.000 0.000 . 0 "[ ]"
2 3 C 0.000 0.000 . 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 C 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 G H1 2 8 C N3 . . 2.500 1.965 1.965 1.965 . 0 0 "[ ]" 2
2 1 1 G O6 2 8 C H41 . . 2.500 1.904 1.904 1.904 . 0 0 "[ ]" 2
3 1 1 G H21 2 8 C O2 . . 2.500 1.858 1.858 1.858 . 0 0 "[ ]" 2
4 1 2 G H1 2 7 C N3 . . 2.500 1.957 1.957 1.957 . 0 0 "[ ]" 2
5 1 2 G O6 2 7 C H41 . . 2.500 1.915 1.915 1.915 . 0 0 "[ ]" 2
6 1 2 G H21 2 7 C O2 . . 2.500 1.846 1.846 1.846 . 0 0 "[ ]" 2
7 1 3 C N3 2 6 G H1 . . 2.500 1.965 1.965 1.965 . 0 0 "[ ]" 2
8 1 3 C H41 2 6 G O6 . . 2.500 1.926 1.926 1.926 . 0 0 "[ ]" 2
9 1 3 C O2 2 6 G H21 . . 2.500 1.849 1.849 1.849 . 0 0 "[ ]" 2
10 1 6 G H1 2 3 C N3 . . 2.500 1.967 1.967 1.967 . 0 0 "[ ]" 2
11 1 6 G O6 2 3 C H41 . . 2.500 1.926 1.926 1.926 . 0 0 "[ ]" 2
12 1 6 G H21 2 3 C O2 . . 2.500 1.858 1.858 1.858 . 0 0 "[ ]" 2
13 1 7 C N3 2 2 G H1 . . 2.500 1.959 1.959 1.959 . 0 0 "[ ]" 2
14 1 7 C H41 2 2 G O6 . . 2.500 1.925 1.925 1.925 . 0 0 "[ ]" 2
15 1 7 C O2 2 2 G H21 . . 2.500 1.840 1.840 1.840 . 0 0 "[ ]" 2
16 1 8 C N3 2 1 G H1 . . 2.500 1.964 1.964 1.964 . 0 0 "[ ]" 2
17 1 8 C H41 2 1 G O6 . . 2.500 1.903 1.903 1.903 . 0 0 "[ ]" 2
18 1 8 C O2 2 1 G H21 . . 2.500 1.858 1.858 1.858 . 0 0 "[ ]" 2
stop_
save_
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