NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482963 |
1tut   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tut
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 190
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 157.251
_Distance_constraint_stats_list.Viol_max 28.012
_Distance_constraint_stats_list.Viol_rms 4.5959
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8276
_Distance_constraint_stats_list.Viol_average_violations_only 11.2322
_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 0.052 0.052 1 0 "[ ]"
1 2 A 0.052 0.052 1 0 "[ ]"
1 3 G 0.000 0.000 . 0 "[ ]"
1 4 G 0.022 0.022 1 0 "[ ]"
1 5 A 0.022 0.022 1 0 "[ ]"
1 6 A 0.041 0.041 1 0 "[ ]"
1 7 G 0.191 0.150 1 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 9 C 0.000 0.000 . 0 "[ ]"
1 10 G 0.000 0.000 . 0 "[ ]"
1 11 A 28.012 28.012 1 1 [+]
2 2 C 128.881 27.169 1 1 [+]
2 3 G 0.000 0.000 . 0 "[ ]"
2 4 U 0.000 0.000 . 0 "[ ]"
2 5 U 0.000 0.000 . 0 "[ ]"
2 6 A 0.000 0.000 . 0 "[ ]"
2 7 A 0.033 0.033 1 0 "[ ]"
2 8 U 0.033 0.033 1 0 "[ ]"
2 9 C 0.008 0.008 1 0 "[ ]"
2 10 U 0.058 0.046 1 0 "[ ]"
2 11 C 156.943 28.012 1 1 [+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H2' 1 1 G H8 . 2.771 5.146 4.342 4.342 4.342 . 0 0 "[ ]" 1
2 1 1 G H3' 1 1 G H8 . 2.187 4.061 3.250 3.250 3.250 . 0 0 "[ ]" 1
3 1 1 G H4' 1 1 G H8 . 2.950 5.479 4.305 4.305 4.305 . 0 0 "[ ]" 1
4 1 1 G H8 1 2 A H8 . 2.706 5.026 4.597 4.597 4.597 . 0 0 "[ ]" 1
5 1 1 G H1' 1 1 G H8 . . 5.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
6 1 1 G H1' 1 1 G H2' . . 3.348 2.717 2.717 2.717 . 0 0 "[ ]" 1
7 1 1 G H1' 1 1 G H3' . 2.099 3.898 3.701 3.701 3.701 . 0 0 "[ ]" 1
8 1 1 G H1' 1 1 G H4' . 2.208 4.100 3.393 3.393 3.393 . 0 0 "[ ]" 1
9 1 1 G H1' 1 2 A H8 . 2.606 4.840 4.892 4.892 4.892 0.052 1 0 "[ ]" 1
10 1 1 G H2' 1 2 A H8 . . 3.101 2.630 2.630 2.630 . 0 0 "[ ]" 1
11 1 1 G H3' 1 2 A H8 . . 3.598 2.585 2.585 2.585 . 0 0 "[ ]" 1
12 1 2 A H1' 1 2 A H8 . 2.558 4.751 3.785 3.785 3.785 . 0 0 "[ ]" 1
13 1 2 A H2' 1 2 A H8 . . 4.650 4.016 4.016 4.016 . 0 0 "[ ]" 1
14 1 2 A H8 1 3 G H8 . 3.161 5.871 5.154 5.154 5.154 . 0 0 "[ ]" 1
15 1 1 G H2' 1 2 A H1' . 3.152 5.853 4.017 4.017 4.017 . 0 0 "[ ]" 1
16 1 2 A H1' 1 3 G H8 . 3.128 5.810 4.922 4.922 4.922 . 0 0 "[ ]" 1
17 1 2 A H1' 1 2 A H2' . . 3.327 2.750 2.750 2.750 . 0 0 "[ ]" 1
18 1 2 A H1' 1 2 A H3' . 2.487 4.620 3.801 3.801 3.801 . 0 0 "[ ]" 1
19 1 2 A H2' 1 3 G H8 . . 3.581 2.278 2.278 2.278 . 0 0 "[ ]" 1
20 1 3 G H2' 1 3 G H8 . 2.644 6.170 3.803 3.803 3.803 . 0 0 "[ ]" 1
21 1 3 G H3' 1 3 G H8 . 2.601 4.830 2.814 2.814 2.814 . 0 0 "[ ]" 1
22 1 2 A H2 1 3 G H1' . 2.276 4.226 3.604 3.604 3.604 . 0 0 "[ ]" 1
23 1 2 A H2' 1 3 G H1' . 3.030 5.627 4.157 4.157 4.157 . 0 0 "[ ]" 1
24 1 3 G H1' 1 3 G H8 . 2.844 5.281 3.851 3.851 3.851 . 0 0 "[ ]" 1
25 1 3 G H1' 1 3 G H3' . 2.573 4.779 3.812 3.812 3.812 . 0 0 "[ ]" 1
26 1 3 G H1' 1 3 G H4' . 2.286 4.245 3.279 3.279 3.279 . 0 0 "[ ]" 1
27 1 3 G H1' 1 3 G H2' . . 3.334 2.754 2.754 2.754 . 0 0 "[ ]" 1
28 1 3 G H2' 1 4 G H8 . . 3.619 2.463 2.463 2.463 . 0 0 "[ ]" 1
29 1 3 G H3' 1 4 G H8 . 2.195 4.077 3.996 3.996 3.996 . 0 0 "[ ]" 1
30 1 4 G H3' 1 4 G H8 . . 3.815 3.430 3.430 3.430 . 0 0 "[ ]" 1
31 1 4 G H1' 1 4 G H8 . 3.166 5.880 3.601 3.601 3.601 . 0 0 "[ ]" 1
32 1 4 G H1' 1 4 G H3' . 2.596 4.821 3.752 3.752 3.752 . 0 0 "[ ]" 1
33 1 4 G H1' 1 4 G H4' . 2.482 4.609 3.537 3.537 3.537 . 0 0 "[ ]" 1
34 1 4 G H1' 1 5 A H8 . 2.932 5.446 5.435 5.435 5.435 . 0 0 "[ ]" 1
35 1 4 G H1' 1 4 G H2' . 2.110 3.919 2.706 2.706 2.706 . 0 0 "[ ]" 1
36 1 4 G H2' 1 5 A H8 . . 3.548 3.198 3.198 3.198 . 0 0 "[ ]" 1
37 1 4 G H3' 1 5 A H8 . 2.656 4.933 2.634 2.634 2.634 0.022 1 0 "[ ]" 1
38 1 4 G H2' 1 5 A H1' . 2.297 5.360 4.777 4.777 4.777 . 0 0 "[ ]" 1
39 1 5 A H1' 1 5 A H8 . 2.479 4.604 3.862 3.862 3.862 . 0 0 "[ ]" 1
40 1 6 A H1' 1 6 A H8 . 2.410 4.476 3.783 3.783 3.783 . 0 0 "[ ]" 1
41 1 6 A H8 1 7 G H8 . 3.176 5.899 3.822 3.822 3.822 . 0 0 "[ ]" 1
42 1 6 A H1' 1 6 A H3' . 2.361 4.384 3.831 3.831 3.831 . 0 0 "[ ]" 1
43 1 6 A H1' 1 6 A H4' . 2.535 5.915 3.281 3.281 3.281 . 0 0 "[ ]" 1
44 1 6 A H1' 1 7 G H8 . 3.137 5.827 5.868 5.868 5.868 0.041 1 0 "[ ]" 1
45 1 6 A H2' 1 7 G H8 . . 4.490 4.013 4.013 4.013 . 0 0 "[ ]" 1
46 1 6 A H3' 1 7 G H8 . 2.510 5.857 3.449 3.449 3.449 . 0 0 "[ ]" 1
47 1 7 G H2' 1 7 G H8 . . 3.671 3.821 3.821 3.821 0.150 1 0 "[ ]" 1
48 1 7 G H3' 1 7 G H8 . . 3.439 2.783 2.783 2.783 . 0 0 "[ ]" 1
49 1 7 G H8 1 8 G H8 . 2.659 6.205 4.808 4.808 4.808 . 0 0 "[ ]" 1
50 1 7 G H1' 1 7 G H8 . 2.186 6.557 3.736 3.736 3.736 . 0 0 "[ ]" 1
51 1 7 G H1' 1 8 G H8 . . 7.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
52 1 7 G H2' 1 8 G H8 . . 5.000 2.199 2.199 2.199 . 0 0 "[ ]" 1
53 1 7 G H3' 1 8 G H8 . . 3.519 3.320 3.320 3.320 . 0 0 "[ ]" 1
54 1 8 G H2' 1 8 G H8 . 2.616 4.859 4.172 4.172 4.172 . 0 0 "[ ]" 1
55 1 8 G H3' 1 8 G H8 . . 5.000 3.279 3.279 3.279 . 0 0 "[ ]" 1
56 1 8 G H1' 1 8 G H8 . 2.935 5.451 3.733 3.733 3.733 . 0 0 "[ ]" 1
57 1 8 G H1' 1 8 G H2' . . 3.161 2.744 2.744 2.744 . 0 0 "[ ]" 1
58 1 8 G H1' 1 9 C H6 . 2.665 4.950 4.932 4.932 4.932 . 0 0 "[ ]" 1
59 1 8 G H1' 1 8 G H3' . . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
60 1 8 G H8 1 9 C H5 . 3.119 5.793 4.316 4.316 4.316 . 0 0 "[ ]" 1
61 1 9 C H5 1 9 C H6 . . 3.180 2.408 2.408 2.408 . 0 0 "[ ]" 1
62 1 8 G H8 1 9 C H6 . 3.192 5.928 5.115 5.115 5.115 . 0 0 "[ ]" 1
63 1 9 C H1' 1 9 C H6 . 2.459 4.567 3.660 3.660 3.660 . 0 0 "[ ]" 1
64 1 9 C H1' 1 9 C H3' . 2.062 3.829 3.804 3.804 3.804 . 0 0 "[ ]" 1
65 1 9 C H1' 1 10 G H8 . 2.959 5.496 4.753 4.753 4.753 . 0 0 "[ ]" 1
66 1 9 C H1' 1 9 C H2' . . 3.220 2.747 2.747 2.747 . 0 0 "[ ]" 1
67 1 9 C H2' 1 10 G H8 . . 3.120 2.102 2.102 2.102 . 0 0 "[ ]" 1
68 1 9 C H3' 1 10 G H8 . 2.298 4.268 3.357 3.357 3.357 . 0 0 "[ ]" 1
69 1 10 G H1' 1 10 G H8 . 2.596 4.821 3.816 3.816 3.816 . 0 0 "[ ]" 1
70 1 10 G H3' 1 10 G H8 . . 3.589 2.958 2.958 2.958 . 0 0 "[ ]" 1
71 1 10 G H1' 1 10 G H4' . . 3.477 3.304 3.304 3.304 . 0 0 "[ ]" 1
72 1 10 G H1' 1 11 A H8 . 2.947 5.473 4.904 4.904 4.904 . 0 0 "[ ]" 1
73 1 10 G H1' 1 10 G H2' . . 3.578 2.744 2.744 2.744 . 0 0 "[ ]" 1
74 1 10 G H2' 1 11 A H8 . . 3.083 2.258 2.258 2.258 . 0 0 "[ ]" 1
75 1 11 A H2 2 11 C H1' . 2.693 6.285 34.297 34.297 34.297 28.012 1 1 [+] 1
76 2 11 C H5 2 11 C H6 . . 2.996 2.403 2.403 2.403 . 0 0 "[ ]" 1
77 2 11 C H3' 2 11 C H6 . . 3.457 2.450 2.450 2.450 . 0 0 "[ ]" 1
78 2 11 C H4' 2 11 C H6 . 2.598 6.063 4.130 4.130 4.130 . 0 0 "[ ]" 1
79 2 2 C H6 2 11 C H6 . . 6.000 30.965 30.965 30.965 24.965 1 1 [+] 1
80 1 10 G H8 1 11 A H8 . 2.848 6.646 4.850 4.850 4.850 . 0 0 "[ ]" 1
81 1 10 G H3' 1 11 A H8 . 2.036 3.781 3.227 3.227 3.227 . 0 0 "[ ]" 1
82 1 11 A H3' 1 11 A H8 . . 3.301 2.524 2.524 2.524 . 0 0 "[ ]" 1
83 1 10 G H2' 1 11 A H1' . 3.076 5.713 4.240 4.240 4.240 . 0 0 "[ ]" 1
84 1 11 A H1' 1 11 A H2 . 2.883 8.074 4.541 4.541 4.541 . 0 0 "[ ]" 1
85 2 11 C H1' 2 11 C H6 . 2.773 4.928 3.716 3.716 3.716 . 0 0 "[ ]" 1
86 1 11 A H1' 1 11 A H8 . 2.975 5.526 3.887 3.887 3.887 . 0 0 "[ ]" 1
87 1 11 A H1' 1 11 A H3' . 2.262 4.201 3.790 3.790 3.790 . 0 0 "[ ]" 1
88 2 2 C H6 2 11 C H1' . 2.176 5.077 29.813 29.813 29.813 24.736 1 1 [+] 1
89 1 11 A H2' 1 11 A H8 . 2.171 4.032 3.657 3.657 3.657 . 0 0 "[ ]" 1
90 1 11 A H1' 1 11 A H2' . . 3.457 2.761 2.761 2.761 . 0 0 "[ ]" 1
91 2 11 C H1' 2 11 C H2' . . 3.347 2.789 2.789 2.789 . 0 0 "[ ]" 1
92 2 2 C H6 2 11 C H2' . . 5.000 32.169 32.169 32.169 27.169 1 1 [+] 1
93 2 11 C H1' 2 11 C H4' . 2.373 3.707 3.228 3.228 3.228 . 0 0 "[ ]" 1
94 2 2 C H5 2 11 C H6 . 2.469 4.585 29.820 29.820 29.820 25.235 1 1 [+] 1
95 2 2 C H5 2 11 C H2' . 2.406 4.468 31.244 31.244 31.244 26.776 1 1 [+] 1
96 2 2 C H5 2 2 C H6 . . 3.093 2.417 2.417 2.417 . 0 0 "[ ]" 1
97 2 2 C H2' 2 2 C H6 . . 5.000 3.677 3.677 3.677 . 0 0 "[ ]" 1
98 2 2 C H6 2 3 G H8 . 2.208 5.153 4.461 4.461 4.461 . 0 0 "[ ]" 1
99 1 11 A H2 2 2 C H1' . 2.878 5.345 3.658 3.658 3.658 . 0 0 "[ ]" 1
100 2 2 C H1' 2 2 C H6 . . 3.808 3.686 3.686 3.686 . 0 0 "[ ]" 1
101 2 2 C H1' 2 2 C H2' . . 3.359 2.750 2.750 2.750 . 0 0 "[ ]" 1
102 2 2 C H1' 2 2 C H3' . 2.180 4.049 3.795 3.795 3.795 . 0 0 "[ ]" 1
103 2 2 C H1' 2 2 C H4' . 2.558 4.751 3.232 3.232 3.232 . 0 0 "[ ]" 1
104 2 2 C H1' 2 3 G H8 . 2.614 4.854 4.738 4.738 4.738 . 0 0 "[ ]" 1
105 2 2 C H2' 2 3 G H8 . . 3.227 2.134 2.134 2.134 . 0 0 "[ ]" 1
106 2 2 C H3' 2 3 G H8 . 2.104 3.908 3.211 3.211 3.211 . 0 0 "[ ]" 1
107 2 3 G H1' 2 3 G H8 . 2.601 4.830 3.815 3.815 3.815 . 0 0 "[ ]" 1
108 2 3 G H4' 2 3 G H8 . 2.474 4.594 4.454 4.454 4.454 . 0 0 "[ ]" 1
109 2 3 G H8 2 4 U H6 . 2.930 5.441 4.675 4.675 4.675 . 0 0 "[ ]" 1
110 2 3 G H1' 2 3 G H3' . 2.080 3.862 3.809 3.809 3.809 . 0 0 "[ ]" 1
111 2 3 G H1' 2 3 G H4' . 2.283 4.240 3.316 3.316 3.316 . 0 0 "[ ]" 1
112 2 3 G H1' 2 4 U H6 . 2.781 5.164 4.950 4.950 4.950 . 0 0 "[ ]" 1
113 2 3 G H1' 2 3 G H2' . . 3.503 2.734 2.734 2.734 . 0 0 "[ ]" 1
114 2 3 G H2' 2 4 U H6 . . 3.030 2.396 2.396 2.396 . 0 0 "[ ]" 1
115 2 3 G H8 2 4 U H5 . 2.655 4.931 4.071 4.071 4.071 . 0 0 "[ ]" 1
116 2 3 G H2' 2 4 U H5 . 2.671 4.961 4.140 4.140 4.140 . 0 0 "[ ]" 1
117 2 4 U H5 2 4 U H6 . . 3.302 2.415 2.415 2.415 . 0 0 "[ ]" 1
118 2 4 U H3' 2 4 U H5 . 2.468 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
119 2 3 G H2' 2 4 U H1' . 3.147 5.844 4.007 4.007 4.007 . 0 0 "[ ]" 1
120 2 4 U H1' 2 4 U H6 . 3.128 5.810 3.656 3.656 3.656 . 0 0 "[ ]" 1
121 2 4 U H1' 2 4 U H3' . 2.113 3.924 3.809 3.809 3.809 . 0 0 "[ ]" 1
122 2 4 U H1' 2 5 U H6 . 2.637 4.897 4.883 4.883 4.883 . 0 0 "[ ]" 1
123 2 4 U H1' 2 4 U H2' . . 3.426 2.746 2.746 2.746 . 0 0 "[ ]" 1
124 2 4 U H2' 2 5 U H6 . . 2.929 2.240 2.240 2.240 . 0 0 "[ ]" 1
125 2 4 U H1' 2 4 U H4' . 2.875 5.340 3.265 3.265 3.265 . 0 0 "[ ]" 1
126 2 4 U H6 2 5 U H5 . 2.562 5.978 4.587 4.587 4.587 . 0 0 "[ ]" 1
127 2 4 U H2' 2 5 U H5 . 2.739 5.087 3.847 3.847 3.847 . 0 0 "[ ]" 1
128 2 5 U H5 2 5 U H6 . . 3.286 2.415 2.415 2.415 . 0 0 "[ ]" 1
129 2 5 U H2' 2 5 U H6 . . 4.114 3.710 3.710 3.710 . 0 0 "[ ]" 1
130 2 5 U H3' 2 5 U H6 . . 3.354 2.587 2.587 2.587 . 0 0 "[ ]" 1
131 2 5 U H6 2 6 A H8 . 2.924 5.430 4.732 4.732 4.732 . 0 0 "[ ]" 1
132 2 5 U H1' 2 5 U H6 . 2.546 4.729 3.688 3.688 3.688 . 0 0 "[ ]" 1
133 2 5 U H1' 2 5 U H4' . 2.041 3.790 3.256 3.256 3.256 . 0 0 "[ ]" 1
134 2 5 U H1' 2 6 A H8 . 3.119 5.793 4.752 4.752 4.752 . 0 0 "[ ]" 1
135 2 5 U H1' 2 5 U H2' . . 3.466 2.739 2.739 2.739 . 0 0 "[ ]" 1
136 2 5 U H2' 2 6 A H8 . . 4.062 2.153 2.153 2.153 . 0 0 "[ ]" 1
137 2 5 U H3' 2 6 A H8 . 2.260 4.197 3.442 3.442 3.442 . 0 0 "[ ]" 1
138 2 6 A H1' 2 6 A H8 . 2.578 4.788 3.808 3.808 3.808 . 0 0 "[ ]" 1
139 2 6 A H2' 2 6 A H8 . 2.154 4.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
140 2 6 A H3' 2 6 A H8 . 2.128 3.952 2.867 2.867 2.867 . 0 0 "[ ]" 1
141 2 6 A H4' 2 6 A H8 . 3.306 6.140 4.357 4.357 4.357 . 0 0 "[ ]" 1
142 2 6 A H8 2 7 A H8 . 3.553 8.361 6.510 6.510 6.510 . 0 0 "[ ]" 1
143 2 6 A H1' 2 6 A H2' . 2.482 4.609 2.734 2.734 2.734 . 0 0 "[ ]" 1
144 2 6 A H1' 2 6 A H3' . 2.298 5.362 3.787 3.787 3.787 . 0 0 "[ ]" 1
145 2 6 A H1' 2 6 A H4' . 2.941 5.462 3.305 3.305 3.305 . 0 0 "[ ]" 1
146 2 6 A H1' 2 7 A H8 . 2.808 5.215 4.398 4.398 4.398 . 0 0 "[ ]" 1
147 2 6 A H2' 2 7 A H8 . . 3.551 2.539 2.539 2.539 . 0 0 "[ ]" 1
148 2 7 A H3' 2 7 A H8 . . 3.432 3.190 3.190 3.190 . 0 0 "[ ]" 1
149 2 7 A H8 2 8 U H5 . 3.180 7.420 4.440 4.440 4.440 . 0 0 "[ ]" 1
150 2 7 A H8 2 8 U H6 . 2.837 5.268 3.715 3.715 3.715 . 0 0 "[ ]" 1
151 2 7 A H1' 2 7 A H8 . 2.315 4.299 3.716 3.716 3.716 . 0 0 "[ ]" 1
152 2 7 A H1' 2 7 A H4' . 2.196 5.125 3.426 3.426 3.426 . 0 0 "[ ]" 1
153 2 7 A H1' 2 8 U H6 . 2.430 5.670 5.703 5.703 5.703 0.033 1 0 "[ ]" 1
154 2 7 A H1' 2 7 A H2' . . 3.172 2.698 2.698 2.698 . 0 0 "[ ]" 1
155 2 7 A H2' 2 8 U H6 . . 5.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
156 2 7 A H1' 2 7 A H3' . 2.787 5.176 3.752 3.752 3.752 . 0 0 "[ ]" 1
157 2 7 A H3' 2 8 U H6 . . 3.299 2.373 2.373 2.373 . 0 0 "[ ]" 1
158 2 8 U H2' 2 9 C H6 . . 3.039 2.184 2.184 2.184 . 0 0 "[ ]" 1
159 2 9 C H5 2 9 C H6 . . 3.200 2.419 2.419 2.419 . 0 0 "[ ]" 1
160 2 9 C H1' 2 9 C H6 . 2.931 6.839 3.654 3.654 3.654 . 0 0 "[ ]" 1
161 2 9 C H1' 2 9 C H3' . 3.093 5.744 3.814 3.814 3.814 . 0 0 "[ ]" 1
162 2 9 C H1' 2 9 C H4' . 2.769 5.142 3.235 3.235 3.235 . 0 0 "[ ]" 1
163 2 9 C H1' 2 10 U H6 . 2.355 5.494 4.906 4.906 4.906 . 0 0 "[ ]" 1
164 2 9 C H1' 2 9 C H2' . 2.179 4.047 2.757 2.757 2.757 . 0 0 "[ ]" 1
165 2 9 C H2' 2 10 U H5 . 2.514 4.670 3.227 3.227 3.227 . 0 0 "[ ]" 1
166 2 9 C H2' 2 10 U H6 . . 2.953 2.227 2.227 2.227 . 0 0 "[ ]" 1
167 2 8 U H2' 2 9 C H5 . 2.615 4.857 3.417 3.417 3.417 . 0 0 "[ ]" 1
168 2 9 C H6 2 10 U H5 . 2.589 4.808 4.354 4.354 4.354 . 0 0 "[ ]" 1
169 2 10 U H5 2 10 U H6 . . 3.244 2.418 2.418 2.418 . 0 0 "[ ]" 1
170 2 10 U H5 2 11 C H5 . 2.631 4.886 3.971 3.971 3.971 . 0 0 "[ ]" 1
171 2 10 U H2' 2 10 U H6 . 2.220 4.122 3.601 3.601 3.601 . 0 0 "[ ]" 1
172 2 10 U H3' 2 10 U H6 . . 3.274 2.622 2.622 2.622 . 0 0 "[ ]" 1
173 2 9 C H3' 2 10 U H6 . . 3.622 3.630 3.630 3.630 0.008 1 0 "[ ]" 1
174 2 9 C H2' 2 10 U H1' . 3.142 5.835 4.318 4.318 4.318 . 0 0 "[ ]" 1
175 2 10 U H1' 2 10 U H6 . 2.599 4.826 3.699 3.699 3.699 . 0 0 "[ ]" 1
176 2 10 U H1' 2 10 U H2' . . 3.227 2.747 2.747 2.747 . 0 0 "[ ]" 1
177 2 10 U H1' 2 10 U H3' . 2.185 4.058 3.818 3.818 3.818 . 0 0 "[ ]" 1
178 2 10 U H1' 2 10 U H4' . 2.012 3.737 3.242 3.242 3.242 . 0 0 "[ ]" 1
179 2 10 U H1' 2 11 C H5 . 2.779 5.161 5.207 5.207 5.207 0.046 1 0 "[ ]" 1
180 2 10 U H1' 2 11 C H6 . 2.744 5.097 4.837 4.837 4.837 . 0 0 "[ ]" 1
181 2 10 U H2' 2 11 C H5 . 2.285 4.244 3.152 3.152 3.152 . 0 0 "[ ]" 1
182 2 10 U H2' 2 11 C H6 . . 2.828 2.163 2.163 2.163 . 0 0 "[ ]" 1
183 2 10 U H6 2 11 C H5 . 2.191 6.572 3.710 3.710 3.710 . 0 0 "[ ]" 1
184 2 10 U H3' 2 11 C H5 . 2.713 5.038 3.562 3.562 3.562 . 0 0 "[ ]" 1
185 2 10 U H3' 2 11 C H6 . . 3.503 3.507 3.507 3.507 0.004 1 0 "[ ]" 1
186 2 11 C H1' 2 11 C H3' . 2.346 4.357 3.843 3.843 3.843 . 0 0 "[ ]" 1
187 2 11 C H2' 2 11 C H6 . . 4.190 3.407 3.407 3.407 . 0 0 "[ ]" 1
188 1 6 A H2 2 7 A H1' . 2.386 4.431 2.825 2.825 2.825 . 0 0 "[ ]" 1
189 1 6 A H2 1 7 G H1' . 2.537 4.711 3.408 3.408 3.408 . 0 0 "[ ]" 1
190 1 6 A H1' 2 7 A H2 . 2.658 4.936 2.797 2.797 2.797 . 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 4
_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 5 A 0.000 0.000 . 0 "[ ]"
1 6 A 0.000 0.000 . 0 "[ ]"
2 6 A 0.000 0.000 . 0 "[ ]"
2 7 A 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 5 A N3 2 7 A H62 . . 2.665 2.098 2.098 2.098 . 0 0 "[ ]" 2
2 1 5 A O2' 2 7 A H61 . . 2.834 2.142 2.142 2.142 . 0 0 "[ ]" 2
3 1 6 A H62 2 6 A N3 . . 2.665 2.008 2.008 2.008 . 0 0 "[ ]" 2
4 1 6 A H61 2 6 A O2' . . 2.834 2.207 2.207 2.207 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_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 A 0.000 0.000 . 0 "[ ]"
1 3 G 0.000 0.000 . 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 9 C 0.000 0.000 . 0 "[ ]"
1 10 G 0.000 0.000 . 0 "[ ]"
2 2 C 0.000 0.000 . 0 "[ ]"
2 3 G 0.000 0.000 . 0 "[ ]"
2 4 U 0.000 0.000 . 0 "[ ]"
2 9 C 0.000 0.000 . 0 "[ ]"
2 10 U 0.000 0.000 . 0 "[ ]"
2 11 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 11 C N3 . . 2.100 1.959 1.959 1.959 . 0 0 "[ ]" 3
2 1 1 G O6 2 11 C H41 . . 2.100 1.920 1.920 1.920 . 0 0 "[ ]" 3
3 1 1 G H21 2 11 C O2 . . 2.100 1.874 1.874 1.874 . 0 0 "[ ]" 3
4 1 2 A H61 2 10 U O4 . . 2.100 2.006 2.006 2.006 . 0 0 "[ ]" 3
5 1 2 A N1 2 10 U H3 . . 2.100 1.968 1.968 1.968 . 0 0 "[ ]" 3
6 1 3 G H1 2 9 C N3 . . 2.100 1.956 1.956 1.956 . 0 0 "[ ]" 3
7 1 3 G O6 2 9 C H41 . . 2.100 1.940 1.940 1.940 . 0 0 "[ ]" 3
8 1 3 G H21 2 9 C O2 . . 2.100 1.823 1.823 1.823 . 0 0 "[ ]" 3
9 1 8 G O6 2 4 U H3 . . 2.100 1.996 1.996 1.996 . 0 0 "[ ]" 3
10 1 8 G H1 2 4 U O2 . . 2.100 1.836 1.836 1.836 . 0 0 "[ ]" 3
11 1 9 C N3 2 3 G H1 . . 2.100 1.924 1.924 1.924 . 0 0 "[ ]" 3
12 1 9 C H41 2 3 G O6 . . 2.100 1.956 1.956 1.956 . 0 0 "[ ]" 3
13 1 9 C O2 2 3 G H21 . . 2.100 1.845 1.845 1.845 . 0 0 "[ ]" 3
14 1 10 G H1 2 2 C N3 . . 2.100 1.949 1.949 1.949 . 0 0 "[ ]" 3
15 1 10 G O6 2 2 C H41 . . 2.100 1.952 1.952 1.952 . 0 0 "[ ]" 3
16 1 10 G H21 2 2 C O2 . . 2.100 1.883 1.883 1.883 . 0 0 "[ ]" 3
stop_
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 1:57:58 PM GMT (wattos1)