NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497759 |
2l8u   |
17401 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8u
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 180
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 1.090
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0474
_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 0.061 0.037 1 0 "[ ]"
1 2 C 0.093 0.086 1 0 "[ ]"
1 3 G 0.012 0.012 1 0 "[ ]"
1 4 C 0.131 0.056 1 0 "[ ]"
1 5 U 0.091 0.062 1 0 "[ ]"
1 6 G 0.105 0.056 1 0 "[ ]"
1 7 C 0.264 0.141 1 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 9 G 0.000 0.000 . 0 "[ ]"
2 1 C 0.142 0.081 1 0 "[ ]"
2 2 C 0.187 0.081 1 0 "[ ]"
2 3 G 0.000 0.000 . 0 "[ ]"
2 4 C 0.055 0.030 1 0 "[ ]"
2 5 U 0.000 0.000 . 0 "[ ]"
2 6 G 0.052 0.046 1 0 "[ ]"
2 7 C 0.157 0.135 1 0 "[ ]"
2 8 G 0.000 0.000 . 0 "[ ]"
2 9 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 H5 1 1 C H6 2.600 2.400 3.100 2.448 2.448 2.448 . 0 0 "[ ]" 1
2 1 1 C H1' 1 1 C H2' 3.750 2.600 4.250 2.922 2.922 2.922 . 0 0 "[ ]" 1
3 1 1 C H2' 1 1 C H6 3.750 2.600 4.250 3.098 3.098 3.098 . 0 0 "[ ]" 1
4 1 1 C H3' 1 1 C H6 3.750 2.600 4.250 3.246 3.246 3.246 . 0 0 "[ ]" 1
5 1 1 C H4' 1 1 C H6 5.500 4.500 6.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
6 1 1 C H1' 1 1 C H3' 5.000 3.750 5.500 3.819 3.819 3.819 . 0 0 "[ ]" 1
7 1 1 C H1' 1 1 C H6 5.000 3.750 5.500 3.726 3.726 3.726 0.024 1 0 "[ ]" 1
8 1 1 C H5' 1 1 C H6 5.000 3.750 5.500 5.053 5.053 5.053 . 0 0 "[ ]" 1
9 1 1 C H5'' 1 1 C H6 5.000 3.750 5.500 3.713 3.713 3.713 0.037 1 0 "[ ]" 1
10 1 1 C H2' 1 2 C H6 2.600 . 3.100 2.200 2.200 2.200 . 0 0 "[ ]" 1
11 1 1 C H2' 1 2 C H5 3.750 2.600 4.250 3.187 3.187 3.187 . 0 0 "[ ]" 1
12 1 1 C H6 1 2 C H6 5.000 3.750 5.500 4.585 4.585 4.585 . 0 0 "[ ]" 1
13 1 1 C H5 1 2 C H5 3.750 2.600 4.250 3.480 3.480 3.480 . 0 0 "[ ]" 1
14 1 1 C H1' 1 2 C H6 5.000 3.750 5.500 4.593 4.593 4.593 . 0 0 "[ ]" 1
15 1 1 C H3' 1 2 C H6 5.000 3.750 5.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
16 1 1 C H1' 1 2 C H5 5.000 3.750 5.500 5.087 5.087 5.087 . 0 0 "[ ]" 1
17 1 2 C H5 1 2 C H6 2.600 2.400 3.100 2.437 2.437 2.437 . 0 0 "[ ]" 1
18 1 2 C H1' 1 2 C H2' 3.750 2.600 4.250 2.706 2.706 2.706 . 0 0 "[ ]" 1
19 1 2 C H2' 1 2 C H6 3.750 2.600 4.250 3.855 3.855 3.855 . 0 0 "[ ]" 1
20 1 2 C H3' 1 2 C H6 3.750 2.600 4.250 2.593 2.593 2.593 0.007 1 0 "[ ]" 1
21 1 2 C H1' 1 2 C H6 5.000 3.750 5.500 3.664 3.664 3.664 0.086 1 0 "[ ]" 1
22 1 2 C H1' 1 3 G H8 4.500 2.600 5.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
23 1 2 C H2' 1 3 G H8 2.600 . 3.100 2.085 2.085 2.085 . 0 0 "[ ]" 1
24 1 2 C H6 1 3 G H8 5.000 3.750 5.500 4.739 4.739 4.739 . 0 0 "[ ]" 1
25 1 3 G H1' 1 3 G H2' 5.000 2.600 5.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
26 1 3 G H2' 1 3 G H8 4.500 2.600 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
27 1 3 G H3' 1 3 G H8 3.750 2.600 4.250 3.043 3.043 3.043 . 0 0 "[ ]" 1
28 1 3 G H1' 1 3 G H8 5.000 3.750 5.500 3.738 3.738 3.738 0.012 1 0 "[ ]" 1
29 1 3 G H5' 1 3 G H8 5.000 3.750 5.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
30 1 3 G H1' 1 4 C H6 5.500 3.750 6.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
31 1 3 G H2' 1 4 C H6 2.600 . 3.100 2.608 2.608 2.608 . 0 0 "[ ]" 1
32 1 4 C H3' 1 4 C H6 5.000 2.600 5.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
33 1 4 C H5 1 4 C H6 2.600 2.400 3.100 2.435 2.435 2.435 . 0 0 "[ ]" 1
34 1 4 C H1' 1 4 C H2' 3.750 2.600 4.250 2.745 2.745 2.745 . 0 0 "[ ]" 1
35 1 4 C H2' 1 4 C H6 3.750 2.600 4.250 3.774 3.774 3.774 . 0 0 "[ ]" 1
36 1 4 C H1' 1 4 C H6 5.000 3.750 5.500 3.694 3.694 3.694 0.056 1 0 "[ ]" 1
37 1 4 C H2' 1 4 C H5 5.000 3.750 5.500 5.135 5.135 5.135 . 0 0 "[ ]" 1
38 1 4 C H2' 1 5 U H6 5.000 2.600 5.500 2.572 2.572 2.572 0.028 1 0 "[ ]" 1
39 1 4 C H2' 1 5 U H5 5.000 2.600 5.500 4.427 4.427 4.427 . 0 0 "[ ]" 1
40 1 4 C H5 1 5 U H5 3.750 2.600 4.250 3.336 3.336 3.336 . 0 0 "[ ]" 1
41 1 4 C H1' 1 5 U H6 5.000 3.750 5.500 4.972 4.972 4.972 . 0 0 "[ ]" 1
42 1 4 C H3' 1 5 U H6 5.000 2.600 5.500 3.560 3.560 3.560 . 0 0 "[ ]" 1
43 1 5 U H1' 1 5 U H6 4.500 2.600 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
44 1 5 U H5 1 5 U H6 2.600 2.400 3.100 2.429 2.429 2.429 . 0 0 "[ ]" 1
45 1 5 U H1' 1 5 U H2' 3.750 2.600 4.250 2.892 2.892 2.892 . 0 0 "[ ]" 1
46 1 5 U H2' 1 5 U H6 3.750 2.600 4.250 3.733 3.733 3.733 . 0 0 "[ ]" 1
47 1 5 U H2' 1 5 U H3' 2.600 . 3.100 2.326 2.326 2.326 . 0 0 "[ ]" 1
48 1 5 U H5' 1 5 U H6 5.000 3.750 5.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
49 1 5 U H3' 1 5 U H6 5.000 3.750 5.500 3.688 3.688 3.688 0.062 1 0 "[ ]" 1
50 1 5 U H3' 1 6 G H8 5.000 2.600 5.500 4.194 4.194 4.194 . 0 0 "[ ]" 1
51 1 5 U H2' 1 6 G H8 2.600 . 3.100 2.601 2.601 2.601 . 0 0 "[ ]" 1
52 1 5 U H1' 1 6 G H8 5.000 3.750 5.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
53 1 5 U H6 1 6 G H8 5.000 3.750 5.500 4.731 4.731 4.731 . 0 0 "[ ]" 1
54 1 5 U H2' 1 6 G H1' 5.000 3.750 5.500 4.177 4.177 4.177 . 0 0 "[ ]" 1
55 1 6 G H1' 1 6 G H2' 3.750 2.600 4.250 2.802 2.802 2.802 . 0 0 "[ ]" 1
56 1 6 G H2' 1 6 G H8 3.750 2.600 4.250 3.723 3.723 3.723 . 0 0 "[ ]" 1
57 1 6 G H3' 1 6 G H8 3.750 2.600 4.250 3.213 3.213 3.213 . 0 0 "[ ]" 1
58 1 6 G H1' 1 6 G H8 5.000 3.750 5.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
59 1 6 G H5' 1 6 G H8 5.000 3.750 5.500 4.801 4.801 4.801 . 0 0 "[ ]" 1
60 1 6 G H1' 1 7 C H6 5.000 3.750 5.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
61 1 6 G H2' 1 7 C H5 4.500 2.600 5.000 2.544 2.544 2.544 0.056 1 0 "[ ]" 1
62 1 6 G H1' 1 7 C H5 4.500 2.600 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
63 1 6 G H8 1 7 C H5 5.500 3.750 6.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
64 1 6 G H2' 1 7 C H6 2.600 . 3.100 1.976 1.976 1.976 0.024 1 0 "[ ]" 1
65 1 7 C H3' 1 7 C H6 5.000 3.750 5.500 3.609 3.609 3.609 0.141 1 0 "[ ]" 1
66 1 7 C H5 1 7 C H6 2.600 2.400 3.100 2.404 2.404 2.404 . 0 0 "[ ]" 1
67 1 7 C H1' 1 7 C H2' 3.750 2.600 4.250 2.697 2.697 2.697 . 0 0 "[ ]" 1
68 1 7 C H2' 1 7 C H6 5.000 3.750 5.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
69 1 7 C H1' 1 7 C H6 5.000 3.500 5.500 3.457 3.457 3.457 0.043 1 0 "[ ]" 1
70 1 7 C H2' 1 8 G H8 2.600 . 3.100 2.611 2.611 2.611 . 0 0 "[ ]" 1
71 1 7 C H1' 1 8 G H8 5.000 3.750 5.500 4.851 4.851 4.851 . 0 0 "[ ]" 1
72 1 7 C H5 1 8 G H8 5.000 3.750 5.500 5.104 5.104 5.104 . 0 0 "[ ]" 1
73 1 7 C H6 1 8 G H8 5.500 3.750 5.500 4.782 4.782 4.782 . 0 0 "[ ]" 1
74 1 7 C H3' 1 8 G H8 3.750 2.600 4.250 2.644 2.644 2.644 . 0 0 "[ ]" 1
75 1 8 G H1' 1 8 G H2' 3.750 2.600 4.250 2.750 2.750 2.750 . 0 0 "[ ]" 1
76 1 8 G H1' 1 8 G H8 3.750 2.600 4.250 3.791 3.791 3.791 . 0 0 "[ ]" 1
77 1 8 G H3' 1 8 G H8 3.750 2.600 4.250 2.902 2.902 2.902 . 0 0 "[ ]" 1
78 1 8 G H5' 1 8 G H8 5.000 3.750 5.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
79 1 8 G H2' 1 8 G H8 5.000 3.750 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 1
80 1 8 G H3' 1 9 G H8 3.750 2.600 4.250 3.591 3.591 3.591 . 0 0 "[ ]" 1
81 1 8 G H2' 1 9 G H8 2.600 . 3.100 2.482 2.482 2.482 . 0 0 "[ ]" 1
82 1 8 G H1' 1 9 G H8 5.000 3.750 5.500 5.003 5.003 5.003 . 0 0 "[ ]" 1
83 1 8 G H8 1 9 G H8 5.500 3.750 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
84 1 9 G H2' 1 9 G H8 3.750 2.600 4.250 3.787 3.787 3.787 . 0 0 "[ ]" 1
85 1 9 G H3' 1 9 G H8 3.750 2.600 4.250 2.836 2.836 2.836 . 0 0 "[ ]" 1
86 1 9 G H2' 1 9 G H3' 2.600 . 3.100 2.376 2.376 2.376 . 0 0 "[ ]" 1
87 1 9 G H1' 1 9 G H8 5.000 3.750 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
88 2 1 C H5 2 1 C H6 2.600 2.400 3.100 2.454 2.454 2.454 . 0 0 "[ ]" 1
89 2 1 C H1' 2 1 C H2' 3.750 2.600 4.250 2.753 2.753 2.753 . 0 0 "[ ]" 1
90 2 1 C H5' 2 1 C H6 3.750 2.600 4.250 3.780 3.780 3.780 . 0 0 "[ ]" 1
91 2 1 C H2' 2 1 C H6 3.750 2.600 4.250 3.640 3.640 3.640 . 0 0 "[ ]" 1
92 2 1 C H3' 2 1 C H6 3.750 2.600 4.250 2.580 2.580 2.580 0.020 1 0 "[ ]" 1
93 2 1 C H1' 2 1 C H6 5.000 3.750 5.500 3.709 3.709 3.709 0.041 1 0 "[ ]" 1
94 2 1 C H5'' 2 1 C H6 5.000 3.750 5.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
95 2 1 C H2' 2 2 C H6 2.600 . 3.100 2.118 2.118 2.118 . 0 0 "[ ]" 1
96 2 1 C H2' 2 2 C H5 3.750 2.600 4.250 3.143 3.143 3.143 . 0 0 "[ ]" 1
97 2 1 C H6 2 2 C H6 5.000 3.750 5.500 4.961 4.961 4.961 . 0 0 "[ ]" 1
98 2 1 C H1' 2 2 C H5 5.000 3.750 5.500 5.071 5.071 5.071 . 0 0 "[ ]" 1
99 2 1 C H1' 2 2 C H6 5.000 3.750 5.500 4.737 4.737 4.737 . 0 0 "[ ]" 1
100 2 1 C H3' 2 2 C H6 5.000 3.750 5.500 3.669 3.669 3.669 0.081 1 0 "[ ]" 1
101 2 1 C H5 2 2 C H5 3.750 2.600 4.250 3.774 3.774 3.774 . 0 0 "[ ]" 1
102 2 2 C H5 2 2 C H6 2.600 2.400 3.100 2.431 2.431 2.431 . 0 0 "[ ]" 1
103 2 2 C H1' 2 2 C H2' 3.750 2.600 4.250 2.696 2.696 2.696 . 0 0 "[ ]" 1
104 2 2 C H2' 2 2 C H6 3.750 2.600 4.250 3.766 3.766 3.766 . 0 0 "[ ]" 1
105 2 2 C H3' 2 2 C H6 3.750 2.600 4.250 2.567 2.567 2.567 0.033 1 0 "[ ]" 1
106 2 2 C H1' 2 2 C H6 5.000 3.750 5.500 3.676 3.676 3.676 0.074 1 0 "[ ]" 1
107 2 2 C H2' 2 3 G H8 2.600 . 3.100 2.035 2.035 2.035 . 0 0 "[ ]" 1
108 2 2 C H6 2 3 G H8 5.000 3.750 5.500 4.792 4.792 4.792 . 0 0 "[ ]" 1
109 2 2 C H1' 2 3 G H8 4.500 2.600 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
110 2 3 G H1' 2 3 G H2' 5.000 2.600 5.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
111 2 3 G H2' 2 3 G H8 4.500 2.600 5.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
112 2 3 G H3' 2 3 G H8 3.750 2.600 4.250 2.891 2.891 2.891 . 0 0 "[ ]" 1
113 2 3 G H1' 2 3 G H8 5.000 3.750 5.500 3.801 3.801 3.801 . 0 0 "[ ]" 1
114 2 3 G H5' 2 3 G H8 5.000 3.750 5.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
115 2 3 G H2' 2 4 C H6 2.600 . 3.100 2.492 2.492 2.492 . 0 0 "[ ]" 1
116 2 3 G H1' 2 4 C H6 5.000 3.750 5.500 5.056 5.056 5.056 . 0 0 "[ ]" 1
117 2 4 C H3' 2 4 C H6 5.500 2.600 6.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
118 2 4 C H5 2 4 C H6 2.600 2.400 3.100 2.432 2.432 2.432 . 0 0 "[ ]" 1
119 2 4 C H1' 2 4 C H2' 3.750 2.600 4.250 2.742 2.742 2.742 . 0 0 "[ ]" 1
120 2 4 C H2' 2 4 C H6 3.750 2.600 4.250 3.470 3.470 3.470 . 0 0 "[ ]" 1
121 2 4 C H1' 2 4 C H6 5.000 3.750 5.500 3.720 3.720 3.720 0.030 1 0 "[ ]" 1
122 2 4 C H2' 2 4 C H5 5.000 3.750 5.500 4.862 4.862 4.862 . 0 0 "[ ]" 1
123 2 4 C H2' 2 5 U H6 5.000 2.600 5.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
124 2 4 C H2' 2 5 U H5 5.000 2.600 5.500 4.724 4.724 4.724 . 0 0 "[ ]" 1
125 2 4 C H5 2 5 U H5 3.750 2.600 4.250 3.819 3.819 3.819 . 0 0 "[ ]" 1
126 2 4 C H1' 2 5 U H6 5.000 3.750 5.500 5.080 5.080 5.080 . 0 0 "[ ]" 1
127 2 4 C H3' 2 5 U H6 5.000 2.600 5.500 3.713 3.713 3.713 . 0 0 "[ ]" 1
128 2 5 U H1' 2 5 U H6 4.500 2.600 5.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
129 2 5 U H5 2 5 U H6 2.600 2.400 3.100 2.447 2.447 2.447 . 0 0 "[ ]" 1
130 2 5 U H1' 2 5 U H2' 3.750 2.600 4.250 2.927 2.927 2.927 . 0 0 "[ ]" 1
131 2 5 U H2' 2 5 U H6 3.750 2.600 4.250 3.840 3.840 3.840 . 0 0 "[ ]" 1
132 2 5 U H2' 2 5 U H3' 2.600 . 3.100 2.262 2.262 2.262 . 0 0 "[ ]" 1
133 2 5 U H5' 2 5 U H6 5.000 3.750 5.500 5.064 5.064 5.064 . 0 0 "[ ]" 1
134 2 5 U H3' 2 5 U H6 5.000 3.750 5.500 4.059 4.059 4.059 . 0 0 "[ ]" 1
135 2 5 U H2' 2 6 G H8 2.600 . 3.100 2.532 2.532 2.532 . 0 0 "[ ]" 1
136 2 5 U H1' 2 6 G H8 5.000 3.750 5.500 5.033 5.033 5.033 . 0 0 "[ ]" 1
137 2 5 U H6 2 6 G H8 5.000 3.750 5.500 4.055 4.055 4.055 . 0 0 "[ ]" 1
138 2 5 U H2' 2 6 G H1' 5.000 3.750 5.500 4.055 4.055 4.055 . 0 0 "[ ]" 1
139 2 5 U H3' 2 6 G H8 5.000 2.600 5.500 3.177 3.177 3.177 . 0 0 "[ ]" 1
140 2 6 G H1' 2 6 G H2' 3.750 2.600 4.250 2.727 2.727 2.727 . 0 0 "[ ]" 1
141 2 6 G H2' 2 6 G H8 3.750 2.600 4.250 3.865 3.865 3.865 . 0 0 "[ ]" 1
142 2 6 G H3' 2 6 G H8 3.750 2.600 4.250 3.031 3.031 3.031 . 0 0 "[ ]" 1
143 2 6 G H1' 2 6 G H8 5.000 3.750 5.500 3.745 3.745 3.745 0.005 1 0 "[ ]" 1
144 2 6 G H5' 2 6 G H8 5.000 3.750 5.500 4.224 4.224 4.224 . 0 0 "[ ]" 1
145 2 6 G H1' 2 7 C H6 5.000 3.750 5.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
146 2 6 G H1' 2 7 C H5 4.500 2.600 5.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
147 2 6 G H2' 2 7 C H5 3.750 . 4.250 2.439 2.439 2.439 . 0 0 "[ ]" 1
148 2 6 G H2' 2 7 C H6 2.600 . 3.100 2.007 2.007 2.007 . 0 0 "[ ]" 1
149 2 6 G H8 2 7 C H5 5.500 3.750 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
150 2 7 C H2' 2 7 C H6 5.000 3.750 5.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
151 2 7 C H3' 2 7 C H6 5.000 3.750 5.500 3.615 3.615 3.615 0.135 1 0 "[ ]" 1
152 2 7 C H5 2 7 C H6 2.600 2.400 3.100 2.423 2.423 2.423 . 0 0 "[ ]" 1
153 2 7 C H1' 2 7 C H2' 3.750 2.600 4.250 2.734 2.734 2.734 . 0 0 "[ ]" 1
154 2 7 C H1' 2 7 C H6 5.000 3.500 5.500 3.478 3.478 3.478 0.022 1 0 "[ ]" 1
155 2 7 C H2' 2 8 G H8 2.600 . 3.100 2.645 2.645 2.645 . 0 0 "[ ]" 1
156 2 7 C H1' 2 8 G H8 5.000 3.750 5.500 4.953 4.953 4.953 . 0 0 "[ ]" 1
157 2 7 C H5 2 8 G H8 5.500 3.750 6.000 5.522 5.522 5.522 . 0 0 "[ ]" 1
158 2 7 C H3' 2 8 G H8 3.750 2.600 4.250 3.651 3.651 3.651 . 0 0 "[ ]" 1
159 2 7 C H6 2 8 G H8 5.500 3.750 6.000 5.314 5.314 5.314 . 0 0 "[ ]" 1
160 2 8 G H1' 2 8 G H2' 3.750 2.600 4.250 2.712 2.712 2.712 . 0 0 "[ ]" 1
161 2 8 G H1' 2 8 G H8 3.750 2.600 4.250 3.697 3.697 3.697 . 0 0 "[ ]" 1
162 2 8 G H3' 2 8 G H8 3.750 2.600 4.250 3.184 3.184 3.184 . 0 0 "[ ]" 1
163 2 8 G H5' 2 8 G H8 5.000 3.750 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
164 2 8 G H2' 2 8 G H8 5.000 3.750 5.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
165 2 8 G H3' 2 9 G H8 3.750 2.600 4.250 3.097 3.097 3.097 . 0 0 "[ ]" 1
166 2 8 G H2' 2 9 G H8 2.600 . 3.100 2.612 2.612 2.612 . 0 0 "[ ]" 1
167 2 8 G H1' 2 9 G H8 5.000 3.750 5.500 5.024 5.024 5.024 . 0 0 "[ ]" 1
168 2 8 G H8 2 9 G H8 5.500 3.750 6.000 5.083 5.083 5.083 . 0 0 "[ ]" 1
169 2 9 G H2' 2 9 G H8 3.750 2.600 4.250 3.818 3.818 3.818 . 0 0 "[ ]" 1
170 2 9 G H3' 2 9 G H8 3.750 2.600 4.250 2.823 2.823 2.823 . 0 0 "[ ]" 1
171 2 9 G H2' 2 9 G H3' 2.600 . 3.100 2.362 2.362 2.362 . 0 0 "[ ]" 1
172 2 9 G H1' 2 9 G H8 5.000 3.750 5.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
173 1 1 C C1' 2 9 G C1' 10.900 10.600 11.400 10.608 10.608 10.608 . 0 0 "[ ]" 1
174 1 2 C C1' 2 8 G C1' 10.900 10.600 11.400 10.779 10.779 10.779 . 0 0 "[ ]" 1
175 1 3 G C1' 2 7 C C1' 10.900 10.600 11.400 10.764 10.764 10.764 . 0 0 "[ ]" 1
176 1 4 C C1' 2 6 G C1' 10.900 10.600 11.400 10.554 10.554 10.554 0.046 1 0 "[ ]" 1
177 1 6 G C1' 2 4 C C1' 10.900 10.600 11.400 10.575 10.575 10.575 0.025 1 0 "[ ]" 1
178 1 7 C C1' 2 3 G C1' 10.900 10.600 11.400 10.916 10.916 10.916 . 0 0 "[ ]" 1
179 1 8 G C1' 2 2 C C1' 10.900 10.600 11.400 10.733 10.733 10.733 . 0 0 "[ ]" 1
180 1 9 G C1' 2 1 C C1' 10.900 10.600 11.400 10.648 10.648 10.648 . 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 43
_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 C 0.000 0.000 . 0 "[ ]"
1 2 C 0.000 0.000 . 0 "[ ]"
1 3 G 0.000 0.000 . 0 "[ ]"
1 4 C 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 9 G 0.000 0.000 . 0 "[ ]"
2 1 C 0.000 0.000 . 0 "[ ]"
2 2 C 0.000 0.000 . 0 "[ ]"
2 3 G 0.000 0.000 . 0 "[ ]"
2 4 C 0.000 0.000 . 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 G 0.000 0.000 . 0 "[ ]"
2 9 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 O2 2 9 G H21 2.000 . 2.500 1.826 1.826 1.826 . 0 0 "[ ]" 2
2 1 1 C O2 2 9 G N2 3.000 2.700 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 2
3 1 1 C N3 2 9 G H1 2.000 . 2.500 1.933 1.933 1.933 . 0 0 "[ ]" 2
4 1 1 C N3 2 9 G N1 3.000 2.700 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 2
5 1 1 C H41 2 9 G O6 2.000 . 2.500 1.970 1.970 1.970 . 0 0 "[ ]" 2
6 1 1 C N4 2 9 G O6 3.000 2.700 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 2
7 1 2 C O2 2 8 G N2 3.000 2.700 3.500 2.880 2.880 2.880 . 0 0 "[ ]" 2
8 1 2 C N3 2 8 G H1 2.000 . 2.500 1.926 1.926 1.926 . 0 0 "[ ]" 2
9 1 2 C N3 2 8 G N1 3.000 2.700 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 2
10 1 2 C H41 2 8 G O6 2.000 . 2.500 1.855 1.855 1.855 . 0 0 "[ ]" 2
11 1 2 C N4 2 8 G O6 3.000 2.700 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 2
12 1 3 G N2 2 7 C O2 3.000 2.700 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 2
13 1 3 G H1 2 7 C N3 2.000 . 2.500 1.931 1.931 1.931 . 0 0 "[ ]" 2
14 1 3 G N1 2 7 C N3 3.000 2.700 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 2
15 1 3 G O6 2 7 C H41 2.000 . 2.500 1.868 1.868 1.868 . 0 0 "[ ]" 2
16 1 3 G O6 2 7 C N4 3.000 2.700 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 2
17 1 4 C O2 2 6 G H21 2.000 . 2.500 1.877 1.877 1.877 . 0 0 "[ ]" 2
18 1 4 C O2 2 6 G N2 3.000 2.700 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 2
19 1 4 C N3 2 6 G H1 2.000 . 2.500 1.927 1.927 1.927 . 0 0 "[ ]" 2
20 1 4 C N3 2 6 G N1 3.000 2.700 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 2
21 1 4 C H41 2 6 G O6 2.000 . 2.500 1.943 1.943 1.943 . 0 0 "[ ]" 2
22 1 4 C N4 2 6 G O6 3.000 2.700 3.500 2.952 2.952 2.952 . 0 0 "[ ]" 2
23 1 6 G N2 2 4 C O2 3.000 2.700 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 2
24 1 6 G H1 2 4 C N3 2.000 . 2.500 1.908 1.908 1.908 . 0 0 "[ ]" 2
25 1 6 G N1 2 4 C N3 3.000 2.700 3.500 2.907 2.907 2.907 . 0 0 "[ ]" 2
26 1 6 G O6 2 4 C H41 2.000 . 2.500 1.959 1.959 1.959 . 0 0 "[ ]" 2
27 1 6 G O6 2 4 C N4 3.000 2.700 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 2
28 1 7 C O2 2 3 G H21 2.000 . 2.500 1.920 1.920 1.920 . 0 0 "[ ]" 2
29 1 7 C O2 2 3 G N2 3.000 2.700 3.500 2.932 2.932 2.932 . 0 0 "[ ]" 2
30 1 7 C N3 2 3 G H1 2.000 . 2.500 1.924 1.924 1.924 . 0 0 "[ ]" 2
31 1 7 C N3 2 3 G N1 3.000 2.700 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 2
32 1 7 C H41 2 3 G O6 2.000 . 2.500 1.834 1.834 1.834 . 0 0 "[ ]" 2
33 1 7 C N4 2 3 G O6 3.000 2.700 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 2
34 1 8 G N2 2 2 C O2 3.000 2.700 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 2
35 1 8 G H1 2 2 C N3 2.000 . 2.500 1.920 1.920 1.920 . 0 0 "[ ]" 2
36 1 8 G N1 2 2 C N3 3.000 2.700 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 2
37 1 8 G O6 2 2 C H41 2.000 . 2.500 1.875 1.875 1.875 . 0 0 "[ ]" 2
38 1 8 G O6 2 2 C N4 3.000 2.700 3.500 2.890 2.890 2.890 . 0 0 "[ ]" 2
39 1 9 G N2 2 1 C O2 3.000 2.700 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 2
40 1 9 G H1 2 1 C N3 2.000 . 2.500 1.955 1.955 1.955 . 0 0 "[ ]" 2
41 1 9 G N1 2 1 C N3 3.000 2.700 3.500 2.952 2.952 2.952 . 0 0 "[ ]" 2
42 1 9 G O6 2 1 C H41 2.000 . 2.500 1.987 1.987 1.987 . 0 0 "[ ]" 2
43 1 9 G O6 2 1 C N4 3.000 2.700 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 1:33:35 PM GMT (wattos1)