NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542967 |
2lr5   |
18347 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lr5
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 249
_Distance_constraint_stats_list.Viol_count 620
_Distance_constraint_stats_list.Viol_total 783.162
_Distance_constraint_stats_list.Viol_max 0.232
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0632
_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 GLY 0.059 0.037 6 0 "[ . 1 . 2]"
1 2 PHE 0.088 0.037 6 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 1.752 0.136 15 0 "[ . 1 . 2]"
1 5 PRO 2.167 0.232 4 0 "[ . 1 . 2]"
1 6 PHE 2.232 0.232 4 0 "[ . 1 . 2]"
1 7 ASN 0.895 0.078 9 0 "[ . 1 . 2]"
1 8 GLU 1.901 0.125 11 0 "[ . 1 . 2]"
1 9 ASN 2.149 0.125 11 0 "[ . 1 . 2]"
1 10 GLU 2.248 0.167 9 0 "[ . 1 . 2]"
1 11 CYS 1.987 0.118 8 0 "[ . 1 . 2]"
1 12 HIS 4.361 0.108 18 0 "[ . 1 . 2]"
1 13 ALA 0.247 0.074 5 0 "[ . 1 . 2]"
1 14 HIS 5.447 0.184 5 0 "[ . 1 . 2]"
1 15 CYS 6.682 0.184 5 0 "[ . 1 . 2]"
1 16 LEU 5.406 0.155 9 0 "[ . 1 . 2]"
1 17 SER 1.853 0.155 9 0 "[ . 1 . 2]"
1 18 ILE 2.055 0.078 2 0 "[ . 1 . 2]"
1 19 GLY 0.352 0.053 3 0 "[ . 1 . 2]"
1 20 ARG 1.374 0.078 2 0 "[ . 1 . 2]"
1 21 LYS 2.926 0.191 7 0 "[ . 1 . 2]"
1 22 PHE 5.566 0.191 7 0 "[ . 1 . 2]"
1 23 GLY 4.642 0.184 1 0 "[ . 1 . 2]"
1 24 PHE 1.463 0.136 15 0 "[ . 1 . 2]"
1 25 CYS 2.670 0.167 9 0 "[ . 1 . 2]"
1 26 ALA 1.775 0.170 1 0 "[ . 1 . 2]"
1 27 GLY 0.376 0.106 5 0 "[ . 1 . 2]"
1 28 PRO 0.058 0.027 3 0 "[ . 1 . 2]"
1 30 ARG 0.482 0.124 5 0 "[ . 1 . 2]"
1 32 THR 0.029 0.029 1 0 "[ . 1 . 2]"
1 33 CYS 5.184 0.213 15 0 "[ . 1 . 2]"
1 34 THR 4.886 0.213 15 0 "[ . 1 . 2]"
1 35 CYS 1.203 0.106 9 0 "[ . 1 . 2]"
1 36 GLY 1.457 0.161 11 0 "[ . 1 . 2]"
1 37 LYS 1.430 0.161 11 0 "[ . 1 . 2]"
1 38 GLN 0.038 0.020 16 0 "[ . 1 . 2]"
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 38 GLN H 1 38 GLN HB2 2.795 . 3.790 3.355 3.045 3.602 . 0 0 "[ . 1 . 2]" 1
2 1 37 LYS HA 1 38 GLN H 2.350 . 2.900 2.750 2.669 2.877 . 0 0 "[ . 1 . 2]" 1
3 1 37 LYS H 1 38 GLN H 2.520 . 3.240 2.710 2.429 2.939 . 0 0 "[ . 1 . 2]" 1
4 1 37 LYS H 1 37 LYS HB2 2.625 . 3.450 2.552 2.431 2.595 . 0 0 "[ . 1 . 2]" 1
5 1 36 GLY HA3 1 37 LYS H 2.455 . 3.110 2.892 2.469 3.121 0.011 11 0 "[ . 1 . 2]" 1
6 1 36 GLY H 1 37 LYS H 2.520 . 3.240 2.804 2.607 3.059 . 0 0 "[ . 1 . 2]" 1
7 1 35 CYS HA 1 36 GLY H 2.380 . 2.960 2.434 2.200 2.619 . 0 0 "[ . 1 . 2]" 1
8 1 35 CYS HB2 1 38 GLN H 2.875 . 3.950 3.528 2.885 3.970 0.020 16 0 "[ . 1 . 2]" 1
9 1 35 CYS HB3 1 36 GLY H 2.625 . 3.450 2.405 2.022 3.006 . 0 0 "[ . 1 . 2]" 1
10 1 35 CYS H 1 35 CYS HB2 2.440 . 3.080 2.528 2.371 2.718 . 0 0 "[ . 1 . 2]" 1
11 1 34 THR HB 1 35 CYS H 2.890 . 3.980 4.002 3.928 4.051 0.071 8 0 "[ . 1 . 2]" 1
12 1 34 THR HA 1 35 CYS H 2.210 . 2.620 2.165 2.140 2.200 . 0 0 "[ . 1 . 2]" 1
13 1 34 THR H 1 34 THR HB 2.470 . 3.140 2.890 2.767 3.223 0.083 1 0 "[ . 1 . 2]" 1
14 1 33 CYS HA 1 34 THR H 2.225 . 2.650 2.083 2.004 2.224 . 0 0 "[ . 1 . 2]" 1
15 1 33 CYS HB2 1 34 THR H 2.905 . 4.010 4.134 3.971 4.223 0.213 15 0 "[ . 1 . 2]" 1
16 1 33 CYS HB3 1 34 THR H 2.920 . 4.040 3.229 2.892 3.613 . 0 0 "[ . 1 . 2]" 1
17 1 33 CYS H 1 33 CYS HB2 2.520 . 3.240 2.522 2.334 2.908 . 0 0 "[ . 1 . 2]" 1
18 1 32 THR HA 1 33 CYS H 2.285 . 2.770 2.324 2.155 2.799 0.029 1 0 "[ . 1 . 2]" 1
19 1 26 ALA HA 1 27 GLY H 2.565 . 3.330 2.420 2.119 2.844 . 0 0 "[ . 1 . 2]" 1
20 1 25 CYS HA 1 26 ALA H 2.300 . 2.800 2.124 2.100 2.211 . 0 0 "[ . 1 . 2]" 1
21 1 25 CYS QB 1 26 ALA H 3.670 . 5.540 3.302 2.868 3.498 . 0 0 "[ . 1 . 2]" 1
22 1 24 PHE H 1 34 THR H 2.595 . 3.390 2.996 2.798 3.295 . 0 0 "[ . 1 . 2]" 1
23 1 24 PHE HA 1 25 CYS H 2.315 . 2.830 2.568 2.339 2.792 . 0 0 "[ . 1 . 2]" 1
24 1 23 GLY HA2 1 24 PHE H 2.550 . 3.300 2.235 2.110 2.385 . 0 0 "[ . 1 . 2]" 1
25 1 23 GLY HA3 1 24 PHE H 2.550 . 3.300 2.921 2.747 3.177 . 0 0 "[ . 1 . 2]" 1
26 1 23 GLY H 1 24 PHE H 3.015 . 4.230 4.157 3.862 4.290 0.060 16 0 "[ . 1 . 2]" 1
27 1 22 PHE HA 1 23 GLY H 2.285 . 2.770 2.349 2.243 2.528 . 0 0 "[ . 1 . 2]" 1
28 1 22 PHE HB3 1 23 GLY H 2.485 . 3.170 2.587 2.229 2.802 . 0 0 "[ . 1 . 2]" 1
29 1 22 PHE HB2 1 23 GLY H 2.485 . 3.170 3.306 3.211 3.354 0.184 1 0 "[ . 1 . 2]" 1
30 1 22 PHE H 1 22 PHE HB2 2.625 . 3.450 3.024 2.754 3.173 . 0 0 "[ . 1 . 2]" 1
31 1 21 LYS HA 1 22 PHE H 2.550 . 3.300 3.434 3.333 3.491 0.191 7 0 "[ . 1 . 2]" 1
32 1 21 LYS QB 1 22 PHE H 3.130 . 4.460 2.892 2.626 3.221 . 0 0 "[ . 1 . 2]" 1
33 1 20 ARG QB 1 22 PHE H 3.530 . 5.260 3.043 2.631 3.638 . 0 0 "[ . 1 . 2]" 1
34 1 21 LYS H 1 21 LYS QB 2.990 . 4.180 2.401 2.229 2.549 . 0 0 "[ . 1 . 2]" 1
35 1 20 ARG QB 1 21 LYS H 3.175 . 4.550 2.781 2.428 3.574 . 0 0 "[ . 1 . 2]" 1
36 1 20 ARG HA 1 21 LYS H 2.365 . 2.930 2.305 2.124 2.419 . 0 0 "[ . 1 . 2]" 1
37 1 21 LYS H 1 22 PHE H 2.535 . 3.270 2.149 2.044 2.605 . 0 0 "[ . 1 . 2]" 1
38 1 19 GLY HA3 1 20 ARG H 2.640 . 3.480 3.094 2.838 3.426 . 0 0 "[ . 1 . 2]" 1
39 1 19 GLY HA2 1 20 ARG H 2.640 . 3.480 3.401 3.106 3.512 0.032 2 0 "[ . 1 . 2]" 1
40 1 19 GLY H 1 20 ARG H 2.380 . 2.960 2.801 2.284 3.013 0.053 3 0 "[ . 1 . 2]" 1
41 1 18 ILE H 1 20 ARG H 2.750 . 3.700 3.304 3.018 3.561 . 0 0 "[ . 1 . 2]" 1
42 1 18 ILE HA 1 19 GLY H 2.595 . 3.390 2.942 2.868 3.163 . 0 0 "[ . 1 . 2]" 1
43 1 17 SER H 1 18 ILE H 2.440 . 3.080 2.553 2.475 2.685 . 0 0 "[ . 1 . 2]" 1
44 1 17 SER H 1 17 SER QB 2.865 . 3.930 2.629 2.457 2.833 . 0 0 "[ . 1 . 2]" 1
45 1 16 LEU HB2 1 17 SER H 2.580 . 3.360 3.093 2.829 3.376 0.016 8 0 "[ . 1 . 2]" 1
46 1 16 LEU HB3 1 17 SER H 2.580 . 3.360 3.432 3.201 3.515 0.155 9 0 "[ . 1 . 2]" 1
47 1 16 LEU H 1 16 LEU HA 2.335 . 2.870 2.808 2.785 2.823 . 0 0 "[ . 1 . 2]" 1
48 1 16 LEU H 1 16 LEU HB2 2.285 . 2.770 2.133 2.030 2.254 . 0 0 "[ . 1 . 2]" 1
49 1 15 CYS QB 1 16 LEU H 3.065 . 4.330 2.642 2.510 2.803 . 0 0 "[ . 1 . 2]" 1
50 1 15 CYS H 1 16 LEU H 2.380 . 2.960 2.703 2.618 2.766 . 0 0 "[ . 1 . 2]" 1
51 1 15 CYS H 1 15 CYS QB 2.930 . 4.060 2.189 2.033 2.349 . 0 0 "[ . 1 . 2]" 1
52 1 14 HIS HB2 1 15 CYS H 2.660 . 3.520 3.657 3.547 3.704 0.184 5 0 "[ . 1 . 2]" 1
53 1 14 HIS HB3 1 15 CYS H 2.660 . 3.520 2.277 2.200 2.360 . 0 0 "[ . 1 . 2]" 1
54 1 14 HIS H 1 14 HIS HB2 2.395 . 2.990 2.504 2.344 2.653 . 0 0 "[ . 1 . 2]" 1
55 1 14 HIS H 1 14 HIS HB3 2.395 . 2.990 2.581 2.485 2.697 . 0 0 "[ . 1 . 2]" 1
56 1 13 ALA H 1 14 HIS H 2.455 . 3.110 2.670 2.611 2.747 . 0 0 "[ . 1 . 2]" 1
57 1 12 HIS QB 1 13 ALA H 3.065 . 4.330 2.396 2.206 2.554 . 0 0 "[ . 1 . 2]" 1
58 1 12 HIS H 1 13 ALA H 2.550 . 3.300 2.690 2.568 2.839 . 0 0 "[ . 1 . 2]" 1
59 1 12 HIS H 1 12 HIS QB 2.990 . 4.180 2.178 2.070 2.253 . 0 0 "[ . 1 . 2]" 1
60 1 11 CYS HB2 1 12 HIS H 2.815 . 3.830 3.736 3.509 3.919 0.089 6 0 "[ . 1 . 2]" 1
61 1 11 CYS HB3 1 12 HIS H 2.815 . 3.830 2.640 2.437 2.885 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS H 1 12 HIS H 2.535 . 3.270 2.605 2.380 2.741 . 0 0 "[ . 1 . 2]" 1
63 1 11 CYS H 1 11 CYS HB2 2.440 . 3.080 2.457 2.204 2.842 . 0 0 "[ . 1 . 2]" 1
64 1 11 CYS H 1 11 CYS HB3 2.440 . 3.080 2.642 2.220 2.951 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLU QB 1 11 CYS H 3.100 . 4.400 2.489 2.234 2.620 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLU H 1 11 CYS H 2.425 . 3.050 2.596 2.490 2.741 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLU H 1 10 GLU QB 2.865 . 3.930 2.294 2.082 2.631 . 0 0 "[ . 1 . 2]" 1
68 1 9 ASN HB2 1 10 GLU H 2.705 . 3.610 2.904 2.639 3.174 . 0 0 "[ . 1 . 2]" 1
69 1 9 ASN HB3 1 10 GLU H 2.705 . 3.610 3.516 3.332 3.669 0.059 8 0 "[ . 1 . 2]" 1
70 1 9 ASN H 1 10 GLU H 2.425 . 3.050 2.625 2.446 2.804 . 0 0 "[ . 1 . 2]" 1
71 1 9 ASN H 1 9 ASN HB2 2.520 . 3.240 2.272 2.191 2.534 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLU H 1 8 GLU HB3 2.425 . 3.050 2.810 2.203 3.136 0.086 16 0 "[ . 1 . 2]" 1
73 1 8 GLU H 1 9 ASN H 2.365 . 2.930 2.602 2.418 2.730 . 0 0 "[ . 1 . 2]" 1
74 1 7 ASN HA 1 8 GLU H 2.255 . 2.710 2.522 2.086 2.737 0.027 5 0 "[ . 1 . 2]" 1
75 1 6 PHE H 1 7 ASN H 2.395 . 2.990 2.798 2.376 3.034 0.044 7 0 "[ . 1 . 2]" 1
76 1 6 PHE H 1 6 PHE HB2 2.610 . 3.420 2.532 2.339 2.641 . 0 0 "[ . 1 . 2]" 1
77 1 3 GLY H 1 4 CYS H 2.505 . 3.210 2.643 2.115 3.160 . 0 0 "[ . 1 . 2]" 1
78 1 2 PHE H 1 3 GLY H 2.565 . 3.330 2.731 2.324 2.951 . 0 0 "[ . 1 . 2]" 1
79 1 2 PHE H 1 2 PHE HB2 2.830 . 3.860 2.565 2.376 3.651 . 0 0 "[ . 1 . 2]" 1
80 1 2 PHE H 1 2 PHE HB3 2.830 . 3.860 2.622 2.411 3.579 . 0 0 "[ . 1 . 2]" 1
81 1 1 GLY HA2 1 2 PHE H 2.395 . 2.990 2.886 2.460 3.027 0.037 6 0 "[ . 1 . 2]" 1
82 1 1 GLY HA3 1 2 PHE H 2.395 . 2.990 2.312 2.192 2.701 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASN HA 1 12 HIS H 2.765 . 3.730 3.463 3.055 3.777 0.047 2 0 "[ . 1 . 2]" 1
84 1 4 CYS HA 1 7 ASN H 2.690 . 3.580 3.475 2.838 3.658 0.078 9 0 "[ . 1 . 2]" 1
85 1 4 CYS HA 1 6 PHE H 2.675 . 3.550 2.949 2.324 3.324 . 0 0 "[ . 1 . 2]" 1
86 1 24 PHE H 1 35 CYS HA 2.845 . 3.890 3.343 3.208 3.569 . 0 0 "[ . 1 . 2]" 1
87 1 26 ALA H 1 27 GLY H 3.090 . 4.380 4.291 3.809 4.486 0.106 5 0 "[ . 1 . 2]" 1
88 1 8 GLU HA 1 11 CYS H 2.640 . 3.480 3.414 3.190 3.565 0.085 10 0 "[ . 1 . 2]" 1
89 1 7 ASN HA 1 10 GLU QB 3.735 . 5.670 3.695 3.245 4.409 . 0 0 "[ . 1 . 2]" 1
90 1 15 CYS QB 1 16 LEU HA 3.410 . 5.020 3.974 3.746 4.299 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS HA 1 14 HIS HB2 2.640 . 3.480 3.281 2.928 3.498 0.018 20 0 "[ . 1 . 2]" 1
92 1 11 CYS HA 1 14 HIS HB3 2.640 . 3.480 2.746 2.573 2.962 . 0 0 "[ . 1 . 2]" 1
93 1 12 HIS HA 1 15 CYS QB 3.220 . 4.640 2.738 2.281 3.338 . 0 0 "[ . 1 . 2]" 1
94 1 24 PHE HA 1 24 PHE HB2 2.410 . 3.020 2.487 2.438 2.528 . 0 0 "[ . 1 . 2]" 1
95 1 7 ASN HA 1 9 ASN H 2.705 . 3.610 3.572 3.327 3.686 0.076 2 0 "[ . 1 . 2]" 1
96 1 7 ASN HA 1 10 GLU H 3.045 . 4.290 3.527 3.067 4.176 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLU HA 1 10 GLU H 2.985 . 4.170 4.200 4.030 4.269 0.099 19 0 "[ . 1 . 2]" 1
98 1 10 GLU HA 1 13 ALA H 2.690 . 3.580 3.347 3.090 3.617 0.037 1 0 "[ . 1 . 2]" 1
99 1 9 ASN HA 1 13 ALA H 2.890 . 3.980 3.733 3.363 3.942 . 0 0 "[ . 1 . 2]" 1
100 1 11 CYS HA 1 14 HIS H 2.705 . 3.610 3.527 3.259 3.679 0.069 7 0 "[ . 1 . 2]" 1
101 1 10 GLU HA 1 14 HIS H 2.780 . 3.760 3.805 3.626 3.927 0.167 9 0 "[ . 1 . 2]" 1
102 1 11 CYS HA 1 15 CYS H 2.935 . 4.070 4.050 3.777 4.188 0.118 8 0 "[ . 1 . 2]" 1
103 1 14 HIS HA 1 17 SER H 2.735 . 3.670 3.414 3.293 3.543 . 0 0 "[ . 1 . 2]" 1
104 1 15 CYS QB 1 17 SER H 3.670 . 5.540 4.547 4.470 4.621 . 0 0 "[ . 1 . 2]" 1
105 1 16 LEU HA 1 18 ILE H 2.955 . 4.110 3.870 3.763 4.067 . 0 0 "[ . 1 . 2]" 1
106 1 15 CYS HA 1 18 ILE H 2.705 . 3.610 3.481 3.335 3.598 . 0 0 "[ . 1 . 2]" 1
107 1 17 SER HA 1 19 GLY H 2.890 . 3.980 3.582 3.407 3.731 . 0 0 "[ . 1 . 2]" 1
108 1 23 GLY HA3 1 35 CYS HA 2.625 . 3.450 2.092 1.786 2.386 0.014 5 0 "[ . 1 . 2]" 1
109 1 25 CYS HA 1 33 CYS HA 2.795 . 3.790 1.783 1.633 2.127 0.167 9 0 "[ . 1 . 2]" 1
110 1 22 PHE H 1 36 GLY H 2.845 . 3.890 3.566 2.893 3.915 0.025 15 0 "[ . 1 . 2]" 1
111 1 25 CYS HA 1 34 THR H 2.300 . 2.800 2.888 2.811 2.943 0.143 3 0 "[ . 1 . 2]" 1
112 1 18 ILE HB 1 20 ARG H 2.920 . 4.040 3.859 3.292 4.118 0.078 2 0 "[ . 1 . 2]" 1
113 1 26 ALA H 1 33 CYS HA 2.455 . 3.110 3.106 1.796 3.249 0.139 15 0 "[ . 1 . 2]" 1
114 1 37 LYS QG 1 38 GLN H 4.090 . 6.380 4.636 4.505 4.874 . 0 0 "[ . 1 . 2]" 1
115 1 37 LYS H 1 37 LYS QG 3.905 . 6.010 3.195 2.753 3.525 . 0 0 "[ . 1 . 2]" 1
116 1 37 LYS H 1 37 LYS QE 4.090 . 6.380 5.197 4.171 6.004 . 0 0 "[ . 1 . 2]" 1
117 1 12 HIS HE1 1 22 PHE HA 3.230 . 4.660 3.471 2.459 4.713 0.053 2 0 "[ . 1 . 2]" 1
118 1 24 PHE H 1 24 PHE QD 4.715 . 7.630 3.154 2.659 3.354 . 0 0 "[ . 1 . 2]" 1
119 1 24 PHE QD 1 25 CYS H 4.715 . 7.630 3.054 2.670 3.628 . 0 0 "[ . 1 . 2]" 1
120 1 22 PHE HA 1 22 PHE QD 4.000 . 6.200 2.919 2.668 3.110 . 0 0 "[ . 1 . 2]" 1
121 1 22 PHE H 1 22 PHE QD 4.715 . 7.630 3.106 2.969 3.321 . 0 0 "[ . 1 . 2]" 1
122 1 21 LYS H 1 21 LYS HG2 3.310 . 4.820 3.584 2.635 4.798 . 0 0 "[ . 1 . 2]" 1
123 1 21 LYS H 1 21 LYS HG3 3.310 . 4.820 4.051 2.188 4.746 . 0 0 "[ . 1 . 2]" 1
124 1 21 LYS H 1 35 CYS HB3 3.435 . 5.070 4.727 4.249 5.176 0.106 9 0 "[ . 1 . 2]" 1
125 1 20 ARG H 1 20 ARG QD 4.090 . 6.380 2.434 1.897 4.009 . 0 0 "[ . 1 . 2]" 1
126 1 20 ARG QB 1 20 ARG QH1 4.525 . 7.250 4.353 4.122 4.528 . 0 0 "[ . 1 . 2]" 1
127 1 18 ILE H 1 18 ILE HG13 2.795 . 3.790 2.279 1.819 2.707 . 0 0 "[ . 1 . 2]" 1
128 1 14 HIS HA 1 14 HIS HD2 3.650 . 5.500 4.631 2.437 4.816 . 0 0 "[ . 1 . 2]" 1
129 1 12 HIS HA 1 12 HIS HD2 3.015 . 4.230 3.439 2.637 3.739 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLU H 1 10 GLU HG2 3.650 . 5.500 4.021 1.959 4.590 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLU H 1 10 GLU HG3 3.650 . 5.500 3.952 2.335 4.646 . 0 0 "[ . 1 . 2]" 1
132 1 8 GLU QG 1 9 ASN H 4.030 . 6.260 3.529 2.148 4.437 . 0 0 "[ . 1 . 2]" 1
133 1 6 PHE HA 1 6 PHE QD 4.030 . 6.260 2.607 1.920 2.941 . 0 0 "[ . 1 . 2]" 1
134 1 2 PHE HA 1 2 PHE QD 3.830 . 5.860 2.678 2.289 3.745 . 0 0 "[ . 1 . 2]" 1
135 1 2 PHE H 1 2 PHE QD 4.700 . 7.600 3.971 2.060 4.219 . 0 0 "[ . 1 . 2]" 1
136 1 2 PHE H 1 2 PHE QE 4.715 . 7.630 6.001 3.933 6.248 . 0 0 "[ . 1 . 2]" 1
137 1 5 PRO QG 1 6 PHE H 3.770 . 5.740 3.626 2.967 4.209 . 0 0 "[ . 1 . 2]" 1
138 1 5 PRO QG 1 6 PHE QD 5.160 . 8.520 4.541 3.580 6.396 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE H 1 20 ARG QH1 3.275 . 4.750 4.761 4.534 4.813 0.063 9 0 "[ . 1 . 2]" 1
140 1 2 PHE QD 1 14 HIS HD2 4.715 . 7.630 5.345 4.107 7.166 . 0 0 "[ . 1 . 2]" 1
141 1 8 GLU HA 1 8 GLU QG 2.900 . 4.000 2.775 2.206 3.539 . 0 0 "[ . 1 . 2]" 1
142 1 15 CYS HA 1 18 ILE HG13 3.045 . 4.290 2.487 2.076 3.258 . 0 0 "[ . 1 . 2]" 1
143 1 15 CYS QB 1 35 CYS HB3 3.670 . 5.540 3.692 2.522 4.590 . 0 0 "[ . 1 . 2]" 1
144 1 2 PHE QE 1 33 CYS HB2 4.715 . 7.630 5.236 4.311 6.786 . 0 0 "[ . 1 . 2]" 1
145 1 12 HIS HD2 1 23 GLY H 3.325 . 4.850 4.884 4.398 4.958 0.108 18 0 "[ . 1 . 2]" 1
146 1 9 ASN HA 1 12 HIS HD2 3.620 . 5.440 5.511 5.469 5.547 0.107 14 0 "[ . 1 . 2]" 1
147 1 14 HIS HD2 1 15 CYS H 3.525 . 5.250 4.166 3.417 4.737 . 0 0 "[ . 1 . 2]" 1
148 1 2 PHE QE 1 14 HIS HE1 4.715 . 7.630 6.474 4.264 7.649 0.019 16 0 "[ . 1 . 2]" 1
149 1 34 THR H 1 34 THR MG 3.510 . 5.220 3.891 3.556 3.991 . 0 0 "[ . 1 . 2]" 1
150 1 32 THR MG 1 33 CYS H 3.525 . 5.250 2.692 1.869 3.743 . 0 0 "[ . 1 . 2]" 1
151 1 26 ALA MB 1 27 GLY H 2.905 . 4.010 2.553 1.798 3.546 0.002 10 0 "[ . 1 . 2]" 1
152 1 18 ILE MG 1 19 GLY H 3.940 . 6.080 4.417 4.374 4.469 . 0 0 "[ . 1 . 2]" 1
153 1 16 LEU H 1 16 LEU MD1 3.805 . 5.810 2.948 2.467 3.620 . 0 0 "[ . 1 . 2]" 1
154 1 16 LEU H 1 16 LEU MD2 3.805 . 5.810 3.827 3.672 4.159 . 0 0 "[ . 1 . 2]" 1
155 1 13 ALA MB 1 14 HIS H 2.995 . 4.190 2.511 2.387 2.645 . 0 0 "[ . 1 . 2]" 1
156 1 13 ALA H 1 13 ALA MB 2.795 . 3.790 2.243 2.235 2.250 . 0 0 "[ . 1 . 2]" 1
157 1 34 THR MG 1 35 CYS H 3.445 . 5.090 2.821 2.606 3.604 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE HA 1 18 ILE MG 2.920 . 4.040 2.152 2.111 2.243 . 0 0 "[ . 1 . 2]" 1
159 1 15 CYS HA 1 18 ILE MD 3.480 . 5.160 2.156 1.974 2.576 . 0 0 "[ . 1 . 2]" 1
160 1 15 CYS HA 1 16 LEU H 2.580 . 3.360 3.489 3.480 3.502 0.142 13 0 "[ . 1 . 2]" 1
161 1 18 ILE H 1 18 ILE HB 2.795 . 3.790 3.541 3.242 3.715 . 0 0 "[ . 1 . 2]" 1
162 1 17 SER QB 1 18 ILE H 3.380 . 4.960 3.150 3.023 3.296 . 0 0 "[ . 1 . 2]" 1
163 1 4 CYS HA 1 5 PRO HA 2.350 . 2.900 2.060 1.830 2.424 . 0 0 "[ . 1 . 2]" 1
164 1 4 CYS HB2 1 5 PRO HA 2.830 . 3.860 2.801 1.798 3.456 0.002 12 0 "[ . 1 . 2]" 1
165 1 4 CYS HB3 1 5 PRO HA 2.830 . 3.860 2.646 2.257 3.361 . 0 0 "[ . 1 . 2]" 1
166 1 9 ASN HA 1 12 HIS QB 3.035 . 4.270 2.451 1.866 2.730 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE HA 1 18 ILE HB 2.350 . 2.900 2.690 2.545 2.879 . 0 0 "[ . 1 . 2]" 1
168 1 24 PHE HA 1 24 PHE HB3 2.410 . 3.020 2.430 2.387 2.473 . 0 0 "[ . 1 . 2]" 1
169 1 23 GLY HA2 1 35 CYS HA 2.625 . 3.450 2.100 1.797 2.628 0.003 10 0 "[ . 1 . 2]" 1
170 1 16 LEU H 1 17 SER H 2.610 . 3.420 2.624 2.586 2.681 . 0 0 "[ . 1 . 2]" 1
171 1 12 HIS HD2 1 13 ALA HA 2.985 . 4.170 3.743 3.284 4.244 0.074 5 0 "[ . 1 . 2]" 1
172 1 18 ILE H 1 18 ILE HG12 2.795 . 3.790 2.195 1.970 2.614 . 0 0 "[ . 1 . 2]" 1
173 1 15 CYS HA 1 18 ILE HG12 3.045 . 4.290 2.598 2.000 3.283 . 0 0 "[ . 1 . 2]" 1
174 1 15 CYS QB 1 33 CYS HB2 3.810 . 5.820 5.286 3.490 5.913 0.093 15 0 "[ . 1 . 2]" 1
175 1 20 ARG HA 1 20 ARG QD 3.330 . 4.860 3.005 2.424 3.761 . 0 0 "[ . 1 . 2]" 1
176 1 20 ARG HA 1 20 ARG HG2 2.795 . 3.790 3.475 3.121 3.600 . 0 0 "[ . 1 . 2]" 1
177 1 30 ARG HA 1 30 ARG HG3 2.720 . 3.640 3.172 2.280 3.764 0.124 5 0 "[ . 1 . 2]" 1
178 1 30 ARG HA 1 30 ARG HG2 2.720 . 3.640 3.011 2.400 3.755 0.115 17 0 "[ . 1 . 2]" 1
179 1 15 CYS QB 1 35 CYS HA 4.090 . 6.380 4.260 3.061 5.245 . 0 0 "[ . 1 . 2]" 1
180 1 2 PHE QD 1 33 CYS HB3 4.405 . 7.010 5.011 4.115 6.907 . 0 0 "[ . 1 . 2]" 1
181 1 14 HIS HD2 1 15 CYS HA 3.280 . 4.760 4.439 3.654 4.825 0.065 17 0 "[ . 1 . 2]" 1
182 1 24 PHE QD 1 34 THR HB 4.715 . 7.630 5.461 3.974 6.198 . 0 0 "[ . 1 . 2]" 1
183 1 24 PHE QE 1 34 THR HB 4.715 . 7.630 5.535 3.359 6.634 . 0 0 "[ . 1 . 2]" 1
184 1 12 HIS HE1 1 16 LEU MD1 3.600 . 5.400 4.795 4.128 5.173 . 0 0 "[ . 1 . 2]" 1
185 1 12 HIS HE1 1 16 LEU MD2 3.600 . 5.400 5.440 5.411 5.471 0.071 1 0 "[ . 1 . 2]" 1
186 1 14 HIS HE1 1 18 ILE MG 2.995 . 4.190 4.230 4.205 4.263 0.073 6 0 "[ . 1 . 2]" 1
187 1 18 ILE H 1 18 ILE MG 3.135 . 4.470 3.309 2.935 3.681 . 0 0 "[ . 1 . 2]" 1
188 1 10 GLU HA 1 13 ALA MB 2.995 . 4.190 2.542 2.265 2.902 . 0 0 "[ . 1 . 2]" 1
189 1 18 ILE HB 1 18 ILE MD 2.765 . 3.730 2.419 2.386 2.466 . 0 0 "[ . 1 . 2]" 1
190 1 18 ILE HG12 1 18 ILE MG 2.855 . 3.910 2.360 2.301 2.418 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE HG13 1 18 ILE MG 2.855 . 3.910 3.199 3.191 3.206 . 0 0 "[ . 1 . 2]" 1
192 1 32 THR HA 1 32 THR MG 2.905 . 4.010 2.380 2.169 3.218 . 0 0 "[ . 1 . 2]" 1
193 1 34 THR HA 1 34 THR MG 2.905 . 4.010 2.246 2.152 2.290 . 0 0 "[ . 1 . 2]" 1
194 1 12 HIS HD2 1 16 LEU MD2 3.925 . 6.050 2.822 2.111 4.629 . 0 0 "[ . 1 . 2]" 1
195 1 12 HIS HD2 1 16 LEU MD1 3.925 . 6.050 2.201 1.828 2.816 . 0 0 "[ . 1 . 2]" 1
196 1 14 HIS HD2 1 18 ILE MG 3.740 . 5.680 5.427 2.982 5.711 0.031 10 0 "[ . 1 . 2]" 1
197 1 24 PHE QE 1 26 ALA MB 4.545 . 7.290 3.344 2.291 5.005 . 0 0 "[ . 1 . 2]" 1
198 1 24 PHE QD 1 26 ALA MB 4.575 . 7.350 3.755 2.815 4.994 . 0 0 "[ . 1 . 2]" 1
199 1 24 PHE QE 1 34 THR MG 4.685 . 7.570 6.124 3.730 7.169 . 0 0 "[ . 1 . 2]" 1
200 1 24 PHE QD 1 34 THR MG 5.225 . 8.650 6.223 4.749 6.815 . 0 0 "[ . 1 . 2]" 1
201 1 1 GLY QA 1 2 PHE H 2.200 . 2.600 2.211 2.143 2.282 . 0 0 "[ . 1 . 2]" 1
202 1 1 GLY QA 1 2 PHE QD 4.555 . 7.310 5.204 3.608 5.430 . 0 0 "[ . 1 . 2]" 1
203 1 2 PHE QD 1 14 HIS QB 4.555 . 7.310 5.159 3.185 6.141 . 0 0 "[ . 1 . 2]" 1
204 1 3 GLY H 1 3 GLY QA 2.180 . 2.560 2.308 2.224 2.344 . 0 0 "[ . 1 . 2]" 1
205 1 3 GLY QA 1 7 ASN H 2.870 . 3.940 3.236 2.940 3.717 . 0 0 "[ . 1 . 2]" 1
206 1 4 CYS H 1 24 PHE QB 3.470 . 5.140 5.201 5.052 5.276 0.136 15 0 "[ . 1 . 2]" 1
207 1 4 CYS QB 1 5 PRO HA 2.440 . 3.080 2.283 1.786 2.598 0.014 12 0 "[ . 1 . 2]" 1
208 1 4 CYS QB 1 25 CYS QB 3.275 . 4.750 3.232 2.116 4.261 . 0 0 "[ . 1 . 2]" 1
209 1 5 PRO QB 1 6 PHE H 2.670 . 3.540 3.648 3.583 3.772 0.232 4 0 "[ . 1 . 2]" 1
210 1 5 PRO QD 1 6 PHE H 2.705 . 3.610 2.372 2.046 2.788 . 0 0 "[ . 1 . 2]" 1
211 1 6 PHE H 1 6 PHE QB 2.325 . 2.850 2.449 2.207 2.577 . 0 0 "[ . 1 . 2]" 1
212 1 6 PHE QB 1 7 ASN H 2.605 . 3.410 2.116 1.864 2.533 . 0 0 "[ . 1 . 2]" 1
213 1 7 ASN H 1 7 ASN QB 2.505 . 3.210 2.613 2.182 3.117 . 0 0 "[ . 1 . 2]" 1
214 1 7 ASN QB 1 7 ASN QD 2.475 . 3.150 2.221 2.077 2.727 . 0 0 "[ . 1 . 2]" 1
215 1 8 GLU HA 1 11 CYS QB 2.365 . 2.930 2.741 2.235 3.012 0.082 5 0 "[ . 1 . 2]" 1
216 1 8 GLU QB 1 9 ASN H 2.560 . 3.320 2.804 2.408 3.445 0.125 11 0 "[ . 1 . 2]" 1
217 1 9 ASN H 1 9 ASN QB 2.230 . 2.660 2.246 2.170 2.486 . 0 0 "[ . 1 . 2]" 1
218 1 10 GLU H 1 10 GLU QG 3.255 . 4.710 3.468 1.949 4.057 . 0 0 "[ . 1 . 2]" 1
219 1 11 CYS H 1 11 CYS QB 2.235 . 2.670 2.196 2.145 2.262 . 0 0 "[ . 1 . 2]" 1
220 1 11 CYS HA 1 14 HIS QB 2.425 . 3.050 2.612 2.440 2.811 . 0 0 "[ . 1 . 2]" 1
221 1 11 CYS QB 1 12 HIS H 2.390 . 2.980 2.583 2.404 2.778 . 0 0 "[ . 1 . 2]" 1
222 1 11 CYS QB 1 33 CYS HB3 3.180 . 4.560 3.999 3.038 4.466 . 0 0 "[ . 1 . 2]" 1
223 1 12 HIS HD2 1 16 LEU QD 3.320 . 4.840 2.074 1.770 2.667 0.030 8 0 "[ . 1 . 2]" 1
224 1 12 HIS HE1 1 16 LEU QD 3.240 . 4.680 4.482 4.006 4.708 0.028 3 0 "[ . 1 . 2]" 1
225 1 13 ALA HA 1 16 LEU QD 3.225 . 4.650 2.288 1.792 2.704 0.008 15 0 "[ . 1 . 2]" 1
226 1 14 HIS H 1 14 HIS QB 2.195 . 2.590 2.257 2.204 2.284 . 0 0 "[ . 1 . 2]" 1
227 1 14 HIS QB 1 14 HIS HD2 2.565 . 3.330 2.662 2.617 3.264 . 0 0 "[ . 1 . 2]" 1
228 1 14 HIS QB 1 15 CYS H 2.340 . 2.880 2.255 2.183 2.333 . 0 0 "[ . 1 . 2]" 1
229 1 15 CYS HA 1 18 ILE QG 2.750 . 3.700 2.161 1.964 2.367 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU H 1 16 LEU QD 3.395 . 4.990 2.824 2.438 3.354 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU HA 1 16 LEU QD 3.035 . 4.270 2.028 1.785 2.199 0.015 8 0 "[ . 1 . 2]" 1
232 1 16 LEU QB 1 17 SER H 2.360 . 2.920 2.868 2.713 2.948 0.028 16 0 "[ . 1 . 2]" 1
233 1 16 LEU QD 1 17 SER H 3.810 . 5.820 4.139 4.052 4.251 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU QD 1 21 LYS HA 3.285 . 4.770 2.432 1.784 3.095 0.016 3 0 "[ . 1 . 2]" 1
235 1 18 ILE H 1 18 ILE QG 2.445 . 3.090 1.933 1.787 2.015 0.013 13 0 "[ . 1 . 2]" 1
236 1 18 ILE QG 1 20 ARG H 3.060 . 4.320 3.008 2.576 3.721 . 0 0 "[ . 1 . 2]" 1
237 1 19 GLY H 1 19 GLY QA 2.190 . 2.580 2.250 2.222 2.283 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLY QA 1 20 ARG H 2.370 . 2.940 2.851 2.724 2.945 0.005 5 0 "[ . 1 . 2]" 1
239 1 20 ARG QG 1 20 ARG QH1 3.385 . 4.970 3.207 2.370 3.746 . 0 0 "[ . 1 . 2]" 1
240 1 23 GLY QA 1 24 PHE H 2.250 . 2.700 2.163 2.082 2.248 . 0 0 "[ . 1 . 2]" 1
241 1 23 GLY QA 1 26 ALA MB 3.900 . 6.000 5.444 4.830 6.170 0.170 1 0 "[ . 1 . 2]" 1
242 1 23 GLY QA 1 35 CYS HA 2.310 . 2.820 1.818 1.731 2.092 0.069 10 0 "[ . 1 . 2]" 1
243 1 23 GLY QA 1 36 GLY H 2.870 . 3.940 3.023 2.023 3.641 . 0 0 "[ . 1 . 2]" 1
244 1 24 PHE H 1 24 PHE QB 2.675 . 3.550 3.315 3.161 3.397 . 0 0 "[ . 1 . 2]" 1
245 1 24 PHE QB 1 25 CYS H 2.665 . 3.530 2.172 1.914 2.578 . 0 0 "[ . 1 . 2]" 1
246 1 27 GLY QA 1 28 PRO QD 2.320 . 2.840 1.926 1.773 2.099 0.027 3 0 "[ . 1 . 2]" 1
247 1 30 ARG HA 1 30 ARG QG 2.460 . 3.120 2.620 2.254 2.995 . 0 0 "[ . 1 . 2]" 1
248 1 36 GLY QA 1 37 LYS H 2.250 . 2.700 2.750 2.426 2.861 0.161 11 0 "[ . 1 . 2]" 1
249 1 38 GLN H 1 38 GLN QG 3.570 . 5.340 3.340 2.708 4.383 . 0 0 "[ . 1 . 2]" 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 22
_Distance_constraint_stats_list.Viol_count 137
_Distance_constraint_stats_list.Viol_total 163.437
_Distance_constraint_stats_list.Viol_max 0.233
_Distance_constraint_stats_list.Viol_rms 0.0384
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0186
_Distance_constraint_stats_list.Viol_average_violations_only 0.0596
_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 7 ASN 1.826 0.233 7 0 "[ . 1 . 2]"
1 8 GLU 0.019 0.014 5 0 "[ . 1 . 2]"
1 9 ASN 0.021 0.021 2 0 "[ . 1 . 2]"
1 10 GLU 0.023 0.023 7 0 "[ . 1 . 2]"
1 11 CYS 2.461 0.233 7 0 "[ . 1 . 2]"
1 12 HIS 0.429 0.070 10 0 "[ . 1 . 2]"
1 13 ALA 0.021 0.021 2 0 "[ . 1 . 2]"
1 14 HIS 2.258 0.150 1 0 "[ . 1 . 2]"
1 15 CYS 2.817 0.134 14 0 "[ . 1 . 2]"
1 16 LEU 0.411 0.070 10 0 "[ . 1 . 2]"
1 17 SER 2.235 0.150 1 0 "[ . 1 . 2]"
1 18 ILE 2.181 0.134 14 0 "[ . 1 . 2]"
1 24 PHE 0.331 0.070 5 0 "[ . 1 . 2]"
1 26 ALA 0.491 0.095 9 0 "[ . 1 . 2]"
1 32 THR 0.491 0.095 9 0 "[ . 1 . 2]"
1 34 THR 0.331 0.070 5 0 "[ . 1 . 2]"
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 7 ASN O 1 11 CYS H 0.000 . 2.000 2.033 1.804 2.233 0.233 7 0 "[ . 1 . 2]" 2
2 1 7 ASN O 1 11 CYS N 0.000 . 3.000 2.986 2.779 3.200 0.200 7 0 "[ . 1 . 2]" 2
3 1 8 GLU O 1 12 HIS H 0.000 . 2.000 1.835 1.641 2.014 0.014 5 0 "[ . 1 . 2]" 2
4 1 8 GLU O 1 12 HIS N 0.000 . 3.000 2.757 2.598 2.953 . 0 0 "[ . 1 . 2]" 2
5 1 9 ASN O 1 13 ALA H 0.000 . 2.000 1.788 1.636 2.021 0.021 2 0 "[ . 1 . 2]" 2
6 1 9 ASN O 1 13 ALA N 0.000 . 3.000 2.710 2.590 2.963 . 0 0 "[ . 1 . 2]" 2
7 1 10 GLU O 1 14 HIS H 0.000 . 2.000 1.814 1.651 2.023 0.023 7 0 "[ . 1 . 2]" 2
8 1 10 GLU O 1 14 HIS N 0.000 . 3.000 2.757 2.575 2.990 . 0 0 "[ . 1 . 2]" 2
9 1 11 CYS O 1 15 CYS H 0.000 . 2.000 2.004 1.875 2.061 0.061 8 0 "[ . 1 . 2]" 2
10 1 11 CYS O 1 15 CYS N 0.000 . 3.000 2.969 2.849 3.054 0.054 8 0 "[ . 1 . 2]" 2
11 1 12 HIS O 1 16 LEU H 0.000 . 2.000 1.987 1.833 2.070 0.070 10 0 "[ . 1 . 2]" 2
12 1 12 HIS O 1 16 LEU N 0.000 . 3.000 2.876 2.715 2.990 . 0 0 "[ . 1 . 2]" 2
13 1 14 HIS O 1 17 SER H 0.000 . 2.000 2.112 2.062 2.150 0.150 1 0 "[ . 1 . 2]" 2
14 1 14 HIS O 1 17 SER N 0.000 . 3.000 2.869 2.816 2.922 . 0 0 "[ . 1 . 2]" 2
15 1 15 CYS O 1 18 ILE H 0.000 . 2.000 2.097 2.002 2.134 0.134 14 0 "[ . 1 . 2]" 2
16 1 15 CYS O 1 18 ILE N 0.000 . 3.000 2.992 2.877 3.036 0.036 14 0 "[ . 1 . 2]" 2
17 1 24 PHE O 1 34 THR H 0.000 . 2.000 1.688 1.630 1.828 . 0 0 "[ . 1 . 2]" 2
18 1 24 PHE O 1 34 THR N 0.000 . 3.000 2.640 2.595 2.708 . 0 0 "[ . 1 . 2]" 2
19 1 26 ALA H 1 32 THR O 0.000 . 2.000 1.970 1.804 2.095 0.095 9 0 "[ . 1 . 2]" 2
20 1 26 ALA N 1 32 THR O 0.000 . 3.000 2.862 2.692 3.025 0.025 9 0 "[ . 1 . 2]" 2
21 1 24 PHE H 1 34 THR O 0.000 . 2.000 2.003 1.900 2.070 0.070 5 0 "[ . 1 . 2]" 2
22 1 24 PHE N 1 34 THR O 0.000 . 3.000 2.932 2.856 2.985 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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