NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450461 |
2rly   |
11007 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rly
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 262
_Distance_constraint_stats_list.Viol_count 1746
_Distance_constraint_stats_list.Viol_total 31291.400
_Distance_constraint_stats_list.Viol_max 4.577
_Distance_constraint_stats_list.Viol_rms 1.3485
_Distance_constraint_stats_list.Viol_average_all_restraints 1.8661
_Distance_constraint_stats_list.Viol_average_violations_only 2.2402
_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 28.929 3.782 8 8 [*****-*+]
1 2 ALA 28.929 3.782 8 8 [*****-*+]
1 3 THR 62.197 3.771 2 8 [*+****-*]
1 4 ALA 112.715 3.771 2 8 [*+****-*]
1 5 VAL 121.511 3.827 8 8 [******-+]
1 6 SER 170.825 4.154 7 8 [**-***+*]
1 7 GLU 134.367 4.154 7 8 [**-***+*]
1 8 TRP 517.605 4.397 5 8 [**-*+***]
1 9 THR 278.315 4.076 8 8 [*******+]
1 10 GLU 144.754 4.076 8 8 [*******+]
1 11 TYR 366.093 3.880 1 8 [+-******]
1 12 LYS 165.875 3.845 7 8 [-*****+*]
1 13 THR 252.888 4.219 1 8 [+*****-*]
1 14 ALA 126.188 3.894 6 8 [*****+-*]
1 15 ASP 125.539 3.435 1 8 [+*****-*]
1 16 GLY 93.666 3.540 8 8 [******-+]
1 17 LYS 227.957 4.005 2 8 [*+******]
1 18 THR 167.981 3.764 7 8 [***-**+*]
1 19 TYR 483.371 4.577 5 8 [-***+***]
1 20 TYR 461.728 3.754 6 8 [*****+*-]
1 21 TYR 471.742 4.577 5 8 [****+**-]
1 22 ASN 210.361 4.397 5 8 [**-*+***]
1 23 ASN 132.356 3.740 2 8 [*+******]
1 24 ARG 177.078 4.277 5 8 [****+*-*]
1 25 THR 160.930 4.277 5 8 [****+***]
1 26 LEU 204.087 3.697 2 8 [*+***-**]
1 27 GLU 188.981 3.880 3 8 [**+*****]
1 28 SER 300.864 3.880 3 8 [**+-****]
1 29 THR 230.085 4.118 2 8 [*+****-*]
1 30 TRP 277.189 4.005 2 8 [*+-*****]
1 31 GLU 263.555 4.015 8 8 [******-+]
1 32 LYS 142.802 4.189 5 8 [****+*-*]
1 33 PRO 245.295 4.189 5 8 [****+**-]
1 34 GLN 123.392 3.664 4 8 [**-+****]
1 35 GLU 230.812 3.890 3 8 [**+****-]
1 36 LEU 262.335 3.990 3 8 [**+****-]
1 37 LYS 69.538 3.771 8 8 [****-**+]
2 3 PRO 1.536 0.171 1 0 "[ . ]"
2 4 PRO 0.757 0.111 2 0 "[ . ]"
2 6 LEU 4.622 0.315 4 0 "[ . ]"
2 7 PRO 6.381 0.444 2 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 12 LYS HA 1 13 THR H 6.000 5.900 6.100 2.111 2.074 2.129 3.826 3 8 [**+*-***] 1
2 1 12 LYS HA 1 19 TYR H 6.000 5.900 6.100 3.614 3.135 4.034 2.765 2 8 [-+******] 1
3 1 28 SER HA 1 29 THR H 6.000 5.900 6.100 2.250 2.203 2.292 3.697 5 8 [-***+***] 1
4 1 22 ASN H 1 28 SER HA 6.000 5.900 6.100 2.433 2.287 2.571 3.613 7 8 [*-****+*] 1
5 1 21 TYR HA 1 22 ASN H 6.000 5.900 6.100 2.038 1.960 2.081 3.940 5 8 [****+**-] 1
6 1 20 TYR HA 1 21 TYR H 6.000 5.900 6.100 2.192 2.146 2.253 3.754 6 8 [-****+**] 1
7 1 11 TYR H 1 20 TYR HA 6.000 5.900 6.100 3.623 3.480 3.701 2.420 2 8 [*+****-*] 1
8 1 11 TYR HA 1 12 LYS H 6.000 5.900 6.100 2.096 2.055 2.160 3.845 7 8 [*-****+*] 1
9 1 19 TYR HA 1 20 TYR H 6.000 5.900 6.100 2.350 2.305 2.407 3.595 3 8 [**+*-***] 1
10 1 18 THR HA 1 19 TYR H 6.000 5.900 6.100 2.214 2.176 2.280 3.724 2 8 [*+*-****] 1
11 1 8 TRP HA 1 9 THR H 6.000 5.900 6.100 2.135 2.104 2.177 3.796 8 8 [*****-*+] 1
12 1 9 THR H 1 22 ASN HA 6.000 5.900 6.100 3.999 3.642 4.277 2.258 4 8 [**-+****] 1
13 1 9 THR HB 1 10 GLU H 6.000 5.900 6.100 3.428 3.346 3.519 2.554 8 8 [**-****+] 1
14 1 9 THR HA 1 10 GLU H 6.000 5.900 6.100 2.283 2.216 2.316 3.684 1 8 [+**-****] 1
15 1 10 GLU HA 1 11 TYR H 6.000 5.900 6.100 2.178 2.135 2.197 3.765 2 8 [*+**-***] 1
16 1 10 GLU HA 1 21 TYR H 6.000 5.900 6.100 4.200 3.833 4.525 2.067 3 8 [**+****-] 1
17 1 28 SER QB 1 29 THR H 6.000 5.900 6.100 2.754 2.565 2.952 3.335 3 8 [**+*-***] 1
18 1 8 TRP HA 1 23 ASN H 6.000 5.900 6.100 4.048 3.725 4.396 2.175 7 8 [****-*+*] 1
19 1 22 ASN HA 1 23 ASN H 6.000 5.900 6.100 2.222 2.160 2.286 3.740 2 8 [*+***-**] 1
20 1 23 ASN HA 1 24 ARG H 6.000 5.900 6.100 3.265 3.169 3.389 2.731 4 8 [***+**-*] 1
21 1 24 ARG HA 1 25 THR H 6.000 5.900 6.100 3.507 3.472 3.544 2.428 5 8 [**-*+***] 1
22 1 25 THR HA 1 26 LEU H 6.000 5.900 6.100 2.975 2.864 3.225 3.036 2 8 [*+-*****] 1
23 1 36 LEU HA 1 37 LYS H 6.000 5.900 6.100 2.187 2.129 2.281 3.771 8 8 [******-+] 1
24 1 26 LEU HA 1 27 GLU H 6.000 5.900 6.100 2.412 2.203 2.542 3.697 2 8 [*+-*****] 1
25 1 29 THR HA 1 30 TRP H 6.000 5.900 6.100 2.269 2.070 2.583 3.830 7 8 [*****-+*] 1
26 1 17 LYS HA 1 18 THR H 6.000 5.900 6.100 2.220 2.136 2.434 3.764 7 8 [**-***+*] 1
27 1 6 SER HA 1 7 GLU H 6.000 5.900 6.100 2.653 2.529 2.758 3.371 4 8 [***+**-*] 1
28 1 7 GLU HA 1 8 TRP H 6.000 5.900 6.100 2.065 2.037 2.113 3.863 2 8 [-+******] 1
29 1 6 SER QB 1 7 GLU H 6.000 5.900 6.100 1.852 1.746 1.943 4.154 7 8 [**-***+*] 1
30 1 5 VAL HA 1 6 SER H 6.000 5.900 6.100 2.218 2.073 2.508 3.827 8 8 [**-****+] 1
31 1 4 ALA HA 1 5 VAL H 6.000 5.900 6.100 2.292 2.136 2.481 3.764 2 8 [*+****-*] 1
32 1 6 SER QB 1 8 TRP H 6.000 5.900 6.100 4.855 4.763 4.971 1.137 8 8 [-******+] 1
33 1 6 SER HA 1 8 TRP H 6.000 5.900 6.100 5.545 5.394 5.692 0.506 3 1 "[ + . ]" 1
34 1 13 THR HB 1 14 ALA H 6.000 5.900 6.100 2.193 2.006 2.433 3.894 6 8 [-****+**] 1
35 1 27 GLU HA 1 28 SER H 6.000 5.900 6.100 2.396 2.303 2.514 3.597 5 8 [**-*+***] 1
36 1 30 TRP QB 1 31 GLU H 6.000 5.900 6.100 2.448 2.245 2.533 3.655 2 8 [*+**-***] 1
37 1 13 THR HA 1 14 ALA H 6.000 5.900 6.100 2.567 2.395 2.644 3.505 1 8 [+*****-*] 1
38 1 13 THR H 1 18 THR HA 6.000 5.900 6.100 3.733 3.384 3.963 2.516 6 8 [***-*+**] 1
39 1 14 ALA HA 1 15 ASP H 6.000 5.900 6.100 3.390 3.311 3.482 2.589 5 8 [****+*-*] 1
40 1 15 ASP HA 1 16 GLY H 6.000 5.900 6.100 3.326 3.255 3.370 2.645 7 8 [******+-] 1
41 1 34 GLN HA 1 35 GLU H 6.000 5.900 6.100 3.456 3.369 3.513 2.531 4 8 [**-+****] 1
42 1 33 PRO HA 1 35 GLU H 6.000 5.900 6.100 4.051 3.819 4.340 2.081 4 8 [**-+****] 1
43 1 33 PRO HA 1 34 GLN H 6.000 5.900 6.100 2.314 2.236 2.391 3.664 4 8 [***+**-*] 1
44 1 35 GLU HA 1 36 LEU H 6.000 5.900 6.100 3.300 2.993 3.468 2.907 8 8 [**-****+] 1
45 1 4 ALA MB 1 5 VAL H 6.000 5.900 6.100 3.194 2.335 3.706 3.565 1 8 [+***-***] 1
46 1 5 VAL QG 1 6 SER H 6.000 5.900 6.100 3.102 2.626 3.416 3.274 5 8 [*-**+***] 1
47 1 7 GLU QB 1 8 TRP H 6.000 5.900 6.100 3.378 3.266 3.507 2.634 2 8 [*+-*****] 1
48 1 5 VAL HB 1 6 SER H 6.000 5.900 6.100 3.506 2.129 4.404 3.771 3 8 [**+***-*] 1
49 1 8 TRP QB 1 9 THR H 6.000 5.900 6.100 3.563 3.483 3.667 2.417 8 8 [*****-*+] 1
50 1 9 THR MG 1 10 GLU H 6.000 5.900 6.100 1.927 1.824 2.112 4.076 8 8 [-******+] 1
51 1 10 GLU QB 1 11 TYR H 6.000 5.900 6.100 3.290 3.094 3.443 2.806 3 8 [**+**-**] 1
52 1 11 TYR QB 1 12 LYS H 6.000 5.900 6.100 3.479 3.285 3.659 2.615 1 8 [+-******] 1
53 1 11 TYR HA 1 11 TYR QE 6.000 5.900 6.100 4.382 4.302 4.484 1.598 7 8 [*-****+*] 1
54 1 9 THR MG 1 11 TYR QD 6.000 5.900 6.100 2.963 2.754 3.231 3.146 1 8 [+******-] 1
55 1 9 THR MG 1 11 TYR QE 6.000 5.900 6.100 2.192 2.020 2.373 3.880 1 8 [+**-****] 1
56 1 12 LYS QG 1 13 THR H 6.000 5.900 6.100 3.168 2.890 3.470 3.010 7 8 [**-***+*] 1
57 1 12 LYS QB 1 13 THR H 6.000 5.900 6.100 3.763 3.111 3.911 2.789 3 8 [**+*-***] 1
58 1 12 LYS HA 1 13 THR MG 6.000 5.900 6.100 3.479 3.130 3.674 2.770 3 8 [**+***-*] 1
59 1 14 ALA MB 1 15 ASP H 6.000 5.900 6.100 2.997 2.764 3.120 3.136 7 8 [****-*+*] 1
60 1 15 ASP QB 1 16 GLY H 6.000 5.900 6.100 3.295 3.158 3.854 2.742 1 8 [+*****-*] 1
61 1 16 GLY QA 1 17 LYS H 6.000 5.900 6.100 2.838 2.750 2.897 3.150 8 8 [*****-*+] 1
62 1 17 LYS QB 1 18 THR H 6.000 5.900 6.100 3.104 2.240 3.749 3.660 3 8 [**+***-*] 1
63 1 17 LYS QG 1 18 THR H 6.000 5.900 6.100 3.835 2.801 4.691 3.099 8 8 [***-***+] 1
64 1 18 THR MG 1 19 TYR H 6.000 5.900 6.100 3.272 3.078 3.449 2.822 2 8 [*+*-****] 1
65 1 19 TYR QB 1 20 TYR H 6.000 5.900 6.100 2.682 2.589 2.770 3.311 4 8 [***+***-] 1
66 1 19 TYR QE 1 27 GLU QG 6.000 5.900 6.100 7.943 7.744 8.105 2.005 4 8 [***+***-] 1
67 1 20 TYR QB 1 21 TYR H 6.000 5.900 6.100 3.013 2.842 3.293 3.058 1 8 [+**-****] 1
68 1 20 TYR HA 1 20 TYR QE 6.000 5.900 6.100 4.773 4.655 4.943 1.245 3 8 [**+****-] 1
69 1 21 TYR QB 1 22 ASN H 6.000 5.900 6.100 3.711 3.590 3.832 2.310 4 8 [-**+****] 1
70 1 21 TYR HA 1 21 TYR QE 6.000 5.900 6.100 4.449 4.372 4.511 1.528 3 8 [**+*-***] 1
71 1 22 ASN QB 1 23 ASN H 6.000 5.900 6.100 3.730 3.506 4.046 2.394 4 8 [**-+****] 1
72 1 23 ASN QB 1 24 ARG H 6.000 5.900 6.100 3.392 3.242 3.588 2.658 3 8 [*-+*****] 1
73 1 24 ARG QG 1 25 THR H 6.000 5.900 6.100 2.540 1.850 3.961 4.050 7 8 [**-***+*] 1
74 1 24 ARG QB 1 25 THR H 6.000 5.900 6.100 1.861 1.623 2.264 4.277 5 8 [****+*-*] 1
75 1 29 THR MG 1 30 TRP H 6.000 5.900 6.100 3.625 3.309 3.847 2.591 6 8 [*****+-*] 1
76 1 25 THR MG 1 26 LEU H 6.000 5.900 6.100 4.202 3.651 4.440 2.249 4 8 [***+-***] 1
77 1 26 LEU QD 1 27 GLU H 6.000 5.900 6.100 3.639 3.250 3.838 2.650 2 8 [*+-*****] 1
78 1 27 GLU QG 1 28 SER H 6.000 5.900 6.100 2.319 2.020 2.533 3.880 3 8 [**+*-***] 1
79 1 27 GLU QB 1 28 SER H 6.000 5.900 6.100 3.470 3.324 3.616 2.576 3 8 [**+*-***] 1
80 1 27 GLU H 1 28 SER H 6.000 5.900 6.100 4.499 4.431 4.537 1.469 2 8 [*+****-*] 1
81 1 26 LEU H 1 27 GLU H 6.000 5.900 6.100 2.832 2.554 3.232 3.346 3 8 [*-+*****] 1
82 1 25 THR H 1 26 LEU H 6.000 5.900 6.100 2.725 2.446 2.898 3.454 3 8 [**+*-***] 1
83 1 24 ARG H 1 25 THR H 6.000 5.900 6.100 3.373 2.887 3.543 3.013 3 8 [**+-****] 1
84 1 24 ARG H 1 26 LEU H 6.000 5.900 6.100 3.610 3.552 3.725 2.348 6 8 [****-+**] 1
85 1 20 TYR H 1 29 THR H 6.000 5.900 6.100 3.943 3.810 4.110 2.090 1 8 [+-******] 1
86 1 34 GLN H 1 35 GLU H 6.000 5.900 6.100 2.636 2.497 2.779 3.403 1 8 [+****-**] 1
87 1 35 GLU H 1 36 LEU H 6.000 5.900 6.100 2.373 2.173 2.658 3.727 4 8 [***+***-] 1
88 1 36 LEU H 1 37 LYS H 6.000 5.900 6.100 4.219 3.923 4.357 1.977 7 8 [******+-] 1
89 1 16 GLY H 1 17 LYS H 6.000 5.900 6.100 2.433 2.360 2.482 3.540 8 8 [*****-*+] 1
90 1 9 THR H 1 21 TYR H 6.000 5.900 6.100 2.936 2.664 3.198 3.236 8 8 [***-***+] 1
91 1 31 GLU HA 1 32 LYS H 6.000 5.900 6.100 2.721 2.665 2.766 3.235 5 8 [****+**-] 1
92 1 31 GLU QG 1 32 LYS H 6.000 5.900 6.100 3.095 2.669 3.903 3.231 4 8 [*-*+****] 1
93 1 31 GLU QB 1 32 LYS H 6.000 5.900 6.100 1.955 1.885 2.081 4.015 8 8 [******-+] 1
94 1 33 PRO QB 1 34 GLN H 6.000 5.900 6.100 2.818 2.570 3.016 3.330 6 8 [***-*+**] 1
95 1 33 PRO QB 1 35 GLU H 6.000 5.900 6.100 2.562 2.297 2.751 3.603 8 8 [**-****+] 1
96 1 34 GLN QB 1 35 GLU H 6.000 5.900 6.100 2.851 2.706 3.126 3.194 3 8 [**+-****] 1
97 1 32 LYS HA 1 33 PRO QD 6.000 5.900 6.100 1.850 1.711 1.977 4.189 5 8 [*-**+***] 1
98 1 35 GLU QG 1 36 LEU H 6.000 5.900 6.100 4.129 3.577 4.514 2.323 7 8 [****-*+*] 1
99 1 35 GLU QB 1 36 LEU H 6.000 5.900 6.100 3.235 2.740 3.704 3.160 3 8 [**+****-] 1
100 1 36 LEU QB 1 37 LYS H 6.000 5.900 6.100 3.889 3.804 4.004 2.096 4 8 [***+**-*] 1
101 1 36 LEU HG 1 37 LYS H 6.000 5.900 6.100 4.612 3.660 5.297 2.240 6 8 [****-+**] 1
102 1 13 THR HB 1 19 TYR QE 6.000 5.900 6.100 4.581 4.408 4.971 1.492 5 8 [****+*-*] 1
103 1 19 TYR QE 1 21 TYR QB 6.000 5.900 6.100 1.493 1.323 1.707 4.577 5 8 [**-*+***] 1
104 1 11 TYR QB 1 19 TYR QE 6.000 5.900 6.100 2.615 2.481 2.743 3.419 6 8 [**-**+**] 1
105 1 13 THR MG 1 19 TYR QE 6.000 5.900 6.100 2.162 1.982 2.355 3.918 5 8 [****+*-*] 1
106 1 11 TYR QE 1 13 THR MG 6.000 5.900 6.100 6.299 6.185 6.414 0.314 7 0 "[ . ]" 1
107 1 11 TYR QE 1 21 TYR QB 6.000 5.900 6.100 3.529 2.944 4.041 2.956 8 8 [-******+] 1
108 1 9 THR HB 1 11 TYR QE 6.000 5.900 6.100 3.006 2.738 3.293 3.162 8 8 [-******+] 1
109 1 9 THR HB 1 11 TYR QD 6.000 5.900 6.100 3.023 2.797 3.138 3.103 1 8 [+**-****] 1
110 1 11 TYR QD 1 21 TYR QB 6.000 5.900 6.100 2.760 2.407 3.032 3.493 8 8 [-******+] 1
111 1 20 TYR QD 1 31 GLU HA 6.000 5.900 6.100 2.919 2.700 3.091 3.200 6 8 [-****+**] 1
112 1 20 TYR QE 1 31 GLU HA 6.000 5.900 6.100 2.714 2.551 3.087 3.349 5 8 [**-*+***] 1
113 1 21 TYR QE 1 23 ASN HA 6.000 5.900 6.100 5.224 5.019 5.473 0.881 5 7 "[*-**+* *]" 1
114 1 21 TYR QE 1 26 LEU HA 6.000 5.900 6.100 4.306 3.677 4.711 2.223 5 8 [****+-**] 1
115 1 21 TYR QE 1 28 SER QB 6.000 5.900 6.100 2.277 2.093 2.470 3.807 1 8 [+*-*****] 1
116 1 19 TYR QD 1 28 SER QB 6.000 5.900 6.100 4.113 4.025 4.236 1.875 1 8 [+-******] 1
117 1 19 TYR QE 1 28 SER QB 6.000 5.900 6.100 4.187 4.058 4.378 1.842 8 8 [*-*****+] 1
118 1 19 TYR QD 1 21 TYR QB 6.000 5.900 6.100 3.062 2.879 3.303 3.021 4 8 [***+***-] 1
119 1 13 THR MG 1 19 TYR QD 6.000 5.900 6.100 1.811 1.681 1.939 4.219 1 8 [+**-****] 1
120 1 11 TYR QB 1 19 TYR QD 6.000 5.900 6.100 3.318 3.256 3.393 2.644 8 8 [**-****+] 1
121 1 9 THR MG 1 19 TYR QD 6.000 5.900 6.100 6.252 6.210 6.292 0.192 6 0 "[ . ]" 1
122 1 20 TYR QD 1 31 GLU QG 6.000 5.900 6.100 4.985 4.815 5.146 1.085 1 8 [+***-***] 1
123 1 20 TYR QD 1 31 GLU QB 6.000 5.900 6.100 4.503 4.395 4.630 1.505 6 8 [*****+*-] 1
124 1 20 TYR QD 1 36 LEU QB 6.000 5.900 6.100 5.137 4.891 5.506 1.009 5 7 "[-***+** ]" 1
125 1 20 TYR QD 1 29 THR MG 6.000 5.900 6.100 3.773 2.996 4.758 2.904 7 8 [******+-] 1
126 1 18 THR MG 1 20 TYR QD 6.000 5.900 6.100 4.130 4.017 4.261 1.883 4 8 [-**+****] 1
127 1 20 TYR QD 1 36 LEU QD 6.000 5.900 6.100 3.125 2.829 3.384 3.071 7 8 [***-**+*] 1
128 1 20 TYR QE 1 36 LEU QB 6.000 5.900 6.100 4.998 4.668 5.326 1.232 5 8 [****+**-] 1
129 1 18 THR MG 1 20 TYR QE 6.000 5.900 6.100 3.696 3.637 3.776 2.263 4 8 [-**+****] 1
130 1 20 TYR QE 1 36 LEU QD 6.000 5.900 6.100 2.937 2.740 3.092 3.160 6 8 [***-*+**] 1
131 1 20 TYR QE 1 31 GLU QB 6.000 5.900 6.100 3.908 3.754 4.107 2.146 6 8 [**-**+**] 1
132 1 20 TYR QE 1 31 GLU QG 6.000 5.900 6.100 4.950 4.549 5.174 1.351 2 8 [*+*-****] 1
133 1 20 TYR QE 1 29 THR MG 6.000 5.900 6.100 5.375 4.727 6.129 1.173 5 5 "[ * *+-* ]" 1
134 1 21 TYR QE 1 26 LEU QB 6.000 5.900 6.100 4.629 3.280 5.367 2.620 5 8 [****+-**] 1
135 1 21 TYR QE 1 23 ASN QB 6.000 5.900 6.100 6.287 5.966 6.531 0.431 6 0 "[ . ]" 1
136 1 20 TYR QE 1 32 LYS QG 6.000 5.900 6.100 3.278 2.583 4.376 3.317 3 8 [-*+*****] 1
137 1 20 TYR QD 1 32 LYS QG 6.000 5.900 6.100 4.651 4.185 5.434 1.715 3 7 "[ *+***-*]" 1
138 1 19 TYR QE 1 21 TYR QD 6.000 5.900 6.100 1.783 1.664 1.992 4.236 8 8 [-******+] 1
139 1 11 TYR QD 1 19 TYR QE 6.000 5.900 6.100 3.411 3.167 3.633 2.733 4 8 [**-+****] 1
140 1 19 TYR QD 1 28 SER HA 6.000 5.900 6.100 4.664 4.569 4.831 1.331 5 8 [***-+***] 1
141 1 8 TRP HZ3 1 28 SER HA 6.000 5.900 6.100 5.856 5.717 5.977 0.183 3 0 "[ . ]" 1
142 1 21 TYR QE 1 28 SER HA 6.000 5.900 6.100 3.936 3.826 4.075 2.074 2 8 [*+**-***] 1
143 1 21 TYR QD 1 28 SER HA 6.000 5.900 6.100 3.221 2.952 3.500 2.948 1 8 [+**-****] 1
144 1 8 TRP HE3 1 20 TYR QD 6.000 5.900 6.100 4.813 4.299 5.163 1.601 4 8 [***+**-*] 1
145 1 8 TRP HE3 1 20 TYR HA 6.000 5.900 6.100 5.595 5.415 5.688 0.485 2 0 "[ . ]" 1
146 1 8 TRP HA 1 8 TRP HZ3 6.000 5.900 6.100 4.156 4.103 4.284 1.797 6 8 [*****+*-] 1
147 1 8 TRP HE3 1 20 TYR QB 6.000 5.900 6.100 3.589 3.301 3.818 2.599 6 8 [*****+-*] 1
148 1 21 TYR QD 1 28 SER QB 6.000 5.900 6.100 2.691 2.461 2.831 3.439 1 8 [+*-*****] 1
149 1 21 TYR QD 1 26 LEU HA 6.000 5.900 6.100 4.576 4.203 4.769 1.697 5 8 [*-**+***] 1
150 1 9 THR HB 1 21 TYR QD 6.000 5.900 6.100 5.061 4.803 5.148 1.097 1 8 [+****-**] 1
151 1 21 TYR QD 1 23 ASN HA 6.000 5.900 6.100 4.171 4.087 4.277 1.813 3 8 [**+****-] 1
152 1 21 TYR QD 1 23 ASN QB 6.000 5.900 6.100 4.808 4.387 5.066 1.513 1 8 [+****-**] 1
153 1 9 THR MG 1 21 TYR QD 6.000 5.900 6.100 5.548 5.310 5.642 0.590 1 2 "[+ . -]" 1
154 1 21 TYR QD 1 26 LEU QD 6.000 5.900 6.100 3.484 3.200 3.963 2.700 4 8 [**-+****] 1
155 1 8 TRP HE3 1 29 THR MG 6.000 5.900 6.100 4.201 3.790 4.621 2.110 2 8 [-+******] 1
156 1 8 TRP HE3 1 36 LEU QD 6.000 5.900 6.100 4.258 4.195 4.304 1.705 7 8 [******+-] 1
157 1 8 TRP HE3 1 22 ASN QB 6.000 5.900 6.100 3.535 2.868 3.915 3.032 5 8 [****+*-*] 1
158 1 8 TRP HE3 1 33 PRO QG 6.000 5.900 6.100 3.342 2.970 4.331 2.930 5 8 [****+*-*] 1
159 1 6 SER HA 1 8 TRP HH2 6.000 5.900 6.100 5.690 5.545 6.010 0.355 5 0 "[ . ]" 1
160 1 6 SER HA 1 8 TRP HZ3 6.000 5.900 6.100 6.392 6.281 6.784 0.684 3 1 "[ + . ]" 1
161 1 8 TRP HH2 1 24 ARG HA 6.000 5.900 6.100 6.287 6.123 6.389 0.289 2 0 "[ . ]" 1
162 1 8 TRP HZ3 1 24 ARG HA 6.000 5.900 6.100 6.050 5.866 6.231 0.131 5 0 "[ . ]" 1
163 1 8 TRP HZ3 1 20 TYR QB 6.000 5.900 6.100 4.914 4.667 5.103 1.233 6 8 [**-**+**] 1
164 1 8 TRP HZ3 1 24 ARG QB 6.000 5.900 6.100 3.736 3.439 4.298 2.461 4 8 [***+**-*] 1
165 1 8 TRP HH2 1 27 GLU QB 6.000 5.900 6.100 4.752 4.642 4.834 1.258 3 8 [**+*-***] 1
166 1 8 TRP HH2 1 27 GLU QG 6.000 5.900 6.100 5.001 4.707 5.107 1.193 5 8 [**-*+***] 1
167 1 8 TRP HZ3 1 29 THR MG 6.000 5.900 6.100 3.724 3.593 3.878 2.307 2 8 [*+****-*] 1
168 1 8 TRP HH2 1 29 THR MG 6.000 5.900 6.100 4.585 4.363 4.793 1.537 3 8 [**+**-**] 1
169 1 8 TRP HZ3 1 22 ASN QB 6.000 5.900 6.100 1.781 1.503 2.203 4.397 5 8 [****+**-] 1
170 1 8 TRP HH2 1 22 ASN QB 6.000 5.900 6.100 3.357 2.980 3.624 2.920 6 8 [*****+*-] 1
171 1 20 TYR QD 1 33 PRO QG 6.000 5.900 6.100 3.847 2.738 5.022 3.162 4 8 [***+**-*] 1
172 1 6 SER HA 1 8 TRP HZ2 6.000 5.900 6.100 4.936 4.789 5.087 1.111 2 8 [*+*-****] 1
173 1 8 TRP HZ2 1 36 LEU QB 6.000 5.900 6.100 5.040 4.601 5.167 1.299 6 8 [-****+**] 1
174 1 8 TRP HZ2 1 29 THR MG 6.000 5.900 6.100 5.626 5.372 5.917 0.528 3 2 "[ + . - ]" 1
175 1 8 TRP HZ2 1 33 PRO QG 6.000 5.900 6.100 4.169 3.194 4.883 2.706 7 8 [**-***+*] 1
176 1 6 SER HA 1 8 TRP HE1 6.000 5.900 6.100 5.125 4.934 5.383 0.966 3 8 [**+-****] 1
177 1 8 TRP HE1 1 35 GLU QG 6.000 5.900 6.100 4.528 3.704 5.589 2.196 3 7 "[**+** *-]" 1
178 1 8 TRP HE1 1 35 GLU QB 6.000 5.900 6.100 2.925 2.010 3.589 3.890 3 8 [**+**-**] 1
179 1 8 TRP HE1 1 33 PRO QB 6.000 5.900 6.100 3.805 3.440 4.161 2.460 7 8 [***-**+*] 1
180 1 8 TRP HD1 1 33 PRO QB 6.000 5.900 6.100 4.842 4.585 5.116 1.315 3 8 [**+****-] 1
181 1 8 TRP HD1 1 33 PRO QG 6.000 5.900 6.100 4.111 3.807 4.391 2.093 8 8 [-******+] 1
182 1 11 TYR H 1 19 TYR H 6.000 5.900 6.100 3.243 3.075 3.356 2.825 5 8 [****+*-*] 1
183 1 14 ALA H 1 15 ASP H 6.000 5.900 6.100 2.580 2.465 2.671 3.435 1 8 [+*****-*] 1
184 1 6 SER H 1 7 GLU H 6.000 5.900 6.100 4.370 4.265 4.450 1.635 6 8 [**-**+**] 1
185 1 7 GLU H 1 8 TRP H 6.000 5.900 6.100 4.286 4.232 4.342 1.668 3 8 [*-+*****] 1
186 1 20 TYR H 1 30 TRP HA 6.000 5.900 6.100 3.046 2.833 3.300 3.067 2 8 [*+*****-] 1
187 1 30 TRP HA 1 31 GLU H 6.000 5.900 6.100 3.563 3.541 3.599 2.359 4 8 [***+*-**] 1
188 1 29 THR HA 1 31 GLU H 6.000 5.900 6.100 4.450 4.009 4.971 1.891 1 8 [+****-**] 1
189 1 13 THR HA 1 15 ASP H 6.000 5.900 6.100 4.120 3.939 4.504 1.961 1 8 [+*****-*] 1
190 1 29 THR HB 1 31 GLU H 6.000 5.900 6.100 4.916 3.878 5.614 2.022 8 5 "[* **. -+]" 1
191 1 1 GLY QA 1 2 ALA H 6.000 5.900 6.100 2.284 2.118 2.571 3.782 8 8 [*****-*+] 1
192 1 30 TRP H 1 31 GLU H 6.000 5.900 6.100 2.529 2.236 2.694 3.664 4 8 [**-+****] 1
193 1 3 THR HA 1 4 ALA H 6.000 5.900 6.100 2.309 2.129 3.154 3.771 2 8 [*+-*****] 1
194 1 3 THR HB 1 4 ALA H 6.000 5.900 6.100 4.005 3.112 4.402 2.788 6 8 [*****+-*] 1
195 1 3 THR MG 1 4 ALA H 6.000 5.900 6.100 3.612 2.921 4.321 2.979 1 8 [+*-*****] 1
196 1 19 TYR QB 1 30 TRP HE3 6.000 5.900 6.100 3.495 3.344 3.690 2.556 2 8 [-+******] 1
197 1 17 LYS QB 1 30 TRP HE3 6.000 5.900 6.100 3.895 3.138 4.311 2.762 6 8 [*****+-*] 1
198 1 13 THR MG 1 30 TRP HE3 6.000 5.900 6.100 5.816 5.755 5.853 0.145 7 0 "[ . ]" 1
199 1 17 LYS QB 1 19 TYR QD 6.000 5.900 6.100 4.649 4.166 5.155 1.734 4 8 [*-*+****] 1
200 1 17 LYS QB 1 30 TRP HH2 6.000 5.900 6.100 4.091 3.903 4.301 1.997 1 8 [+***-***] 1
201 1 17 LYS QB 1 30 TRP HZ3 6.000 5.900 6.100 2.678 2.226 2.939 3.674 6 8 [****-+**] 1
202 1 17 LYS QG 1 30 TRP HH2 6.000 5.900 6.100 4.142 3.467 4.624 2.433 1 8 [+*-*****] 1
203 1 17 LYS QG 1 30 TRP HZ3 6.000 5.900 6.100 2.522 1.895 3.671 4.005 2 8 [*+-*****] 1
204 1 19 TYR QB 1 30 TRP HZ3 6.000 5.900 6.100 4.241 4.155 4.342 1.745 2 8 [*+*****-] 1
205 1 12 LYS HA 1 19 TYR QD 6.000 5.900 6.100 4.888 4.406 5.244 1.494 2 8 [-+******] 1
206 1 12 LYS HA 1 19 TYR QE 6.000 5.900 6.100 5.795 5.416 6.010 0.484 2 0 "[ . ]" 1
207 1 8 TRP QB 1 36 LEU QD 6.000 5.900 6.100 2.268 1.910 2.736 3.990 3 8 [**+-****] 1
208 1 29 THR MG 1 33 PRO QG 6.000 5.900 6.100 2.427 1.782 3.608 4.118 2 8 [*+*****-] 1
209 1 5 VAL QG 1 36 LEU QD 3.000 . 4.000 2.844 2.360 3.463 . 0 0 "[ . ]" 1
210 1 13 THR MG 2 6 LEU MD2 3.000 . 4.000 1.883 1.820 1.921 0.180 7 0 "[ . ]" 1
211 1 13 THR MG 2 6 LEU HB3 3.000 . 4.000 2.885 2.568 3.288 . 0 0 "[ . ]" 1
212 1 13 THR MG 2 6 LEU HB2 3.000 . 4.000 2.278 2.016 2.501 . 0 0 "[ . ]" 1
213 1 11 TYR QE 2 3 PRO HB3 2.000 . 3.000 1.762 1.639 1.942 . 0 0 "[ . ]" 1
214 1 11 TYR QE 2 3 PRO HB2 2.000 . 3.000 3.063 3.034 3.107 0.107 8 0 "[ . ]" 1
215 1 11 TYR QD 2 3 PRO HB3 2.000 . 3.000 2.793 2.686 2.887 . 0 0 "[ . ]" 1
216 1 11 TYR QD 2 3 PRO HB2 2.000 . 3.000 3.083 2.914 3.171 0.171 1 0 "[ . ]" 1
217 1 11 TYR QD 2 3 PRO HA 3.000 . 4.000 4.023 3.950 4.092 0.092 8 0 "[ . ]" 1
218 1 11 TYR QE 2 3 PRO HA 3.000 . 4.000 2.471 2.328 2.542 . 0 0 "[ . ]" 1
219 1 11 TYR QD 2 4 PRO HD3 3.000 . 4.000 3.931 3.894 3.970 . 0 0 "[ . ]" 1
220 1 11 TYR QD 2 4 PRO HD2 3.000 . 4.000 3.204 3.167 3.234 . 0 0 "[ . ]" 1
221 1 11 TYR QE 2 4 PRO HD3 3.000 . 4.000 2.883 2.853 2.901 . 0 0 "[ . ]" 1
222 1 11 TYR QE 2 4 PRO HD2 3.000 . 4.000 3.141 3.109 3.208 . 0 0 "[ . ]" 1
223 1 11 TYR QD 2 4 PRO HG3 3.000 . 4.000 4.078 4.009 4.111 0.111 2 0 "[ . ]" 1
224 1 11 TYR QD 2 4 PRO HG2 3.000 . 4.000 3.576 3.478 3.692 . 0 0 "[ . ]" 1
225 1 11 TYR QE 2 4 PRO HG3 3.000 . 4.000 3.315 2.984 3.523 . 0 0 "[ . ]" 1
226 1 11 TYR QE 2 4 PRO HG2 3.000 . 4.000 3.838 3.468 3.979 . 0 0 "[ . ]" 1
227 1 21 TYR QD 2 4 PRO HG3 3.000 . 4.000 2.997 2.886 3.078 . 0 0 "[ . ]" 1
228 1 21 TYR QD 2 4 PRO HG2 3.000 . 4.000 3.319 3.208 3.430 . 0 0 "[ . ]" 1
229 1 21 TYR QD 2 4 PRO HB3 3.000 . 4.000 3.853 3.640 3.993 . 0 0 "[ . ]" 1
230 1 21 TYR QD 2 4 PRO HB2 3.000 . 4.000 3.676 3.499 3.746 . 0 0 "[ . ]" 1
231 1 21 TYR QE 2 4 PRO HG3 3.000 . 4.000 3.897 3.679 3.968 . 0 0 "[ . ]" 1
232 1 21 TYR QE 2 4 PRO HG2 3.000 . 4.000 4.004 3.937 4.052 0.052 3 0 "[ . ]" 1
233 1 21 TYR QE 2 4 PRO HB3 3.000 . 4.000 3.281 3.023 3.537 . 0 0 "[ . ]" 1
234 1 21 TYR QE 2 4 PRO HB2 3.000 . 4.000 3.071 2.911 3.251 . 0 0 "[ . ]" 1
235 1 19 TYR QE 2 6 LEU HB3 3.000 . 4.000 3.571 3.479 3.634 . 0 0 "[ . ]" 1
236 1 19 TYR QE 2 6 LEU HB2 3.000 . 4.000 2.159 2.063 2.231 . 0 0 "[ . ]" 1
237 1 19 TYR QD 2 6 LEU HB3 3.000 . 4.000 4.261 4.209 4.315 0.315 4 0 "[ . ]" 1
238 1 19 TYR QD 2 6 LEU HB2 3.000 . 4.000 2.764 2.708 2.835 . 0 0 "[ . ]" 1
239 1 19 TYR QE 2 6 LEU MD1 3.000 . 4.000 3.183 3.101 3.254 . 0 0 "[ . ]" 1
240 1 19 TYR QE 2 6 LEU MD2 3.000 . 4.000 3.857 3.835 3.880 . 0 0 "[ . ]" 1
241 1 19 TYR QD 2 6 LEU MD1 3.000 . 4.000 1.921 1.890 1.964 0.110 5 0 "[ . ]" 1
242 1 19 TYR QD 2 6 LEU MD2 3.000 . 4.000 3.178 3.051 3.314 . 0 0 "[ . ]" 1
243 1 30 TRP HZ3 2 6 LEU MD1 3.000 . 5.000 3.697 3.615 3.802 . 0 0 "[ . ]" 1
244 1 30 TRP HE1 2 6 LEU HG 3.000 . 4.000 3.733 3.579 3.941 . 0 0 "[ . ]" 1
245 1 30 TRP HZ3 2 6 LEU MD2 3.000 . 5.000 3.711 3.655 3.801 . 0 0 "[ . ]" 1
246 1 30 TRP HZ2 2 6 LEU HG 3.000 . 4.000 2.725 2.607 2.835 . 0 0 "[ . ]" 1
247 1 30 TRP HZ2 2 6 LEU MD1 3.000 . 4.000 2.565 2.433 2.671 . 0 0 "[ . ]" 1
248 1 30 TRP HZ2 2 6 LEU MD2 3.000 . 4.000 2.484 2.401 2.601 . 0 0 "[ . ]" 1
249 1 30 TRP HH2 2 6 LEU MD1 3.000 . 4.000 3.157 3.011 3.278 . 0 0 "[ . ]" 1
250 1 30 TRP HH2 2 6 LEU MD2 3.000 . 4.000 2.104 2.074 2.155 . 0 0 "[ . ]" 1
251 1 30 TRP HH2 2 6 LEU HG 3.000 . 4.000 4.122 4.096 4.158 0.158 3 0 "[ . ]" 1
252 1 30 TRP HD1 2 7 PRO HG3 3.000 . 4.000 4.288 4.208 4.374 0.374 4 0 "[ . ]" 1
253 1 30 TRP HD1 2 7 PRO HG2 3.000 . 4.000 2.667 2.576 2.799 . 0 0 "[ . ]" 1
254 1 30 TRP HD1 2 7 PRO QD 3.000 . 4.000 3.933 3.893 3.965 . 0 0 "[ . ]" 1
255 1 21 TYR QD 2 7 PRO HG3 3.000 . 4.000 3.639 3.516 3.814 . 0 0 "[ . ]" 1
256 1 21 TYR QD 2 7 PRO HG2 3.000 . 4.000 4.286 4.257 4.348 0.348 8 0 "[ . ]" 1
257 1 21 TYR QD 2 7 PRO QD 3.000 . 4.000 2.945 2.833 3.028 . 0 0 "[ . ]" 1
258 1 21 TYR QE 2 7 PRO HG3 3.000 . 4.000 2.609 2.506 2.745 . 0 0 "[ . ]" 1
259 1 21 TYR QE 2 7 PRO HG2 3.000 . 4.000 4.059 4.014 4.125 0.125 2 0 "[ . ]" 1
260 1 21 TYR QE 2 7 PRO QD 3.000 . 4.000 2.401 2.328 2.462 . 0 0 "[ . ]" 1
261 1 28 SER QB 2 7 PRO HG3 3.000 . 4.000 1.836 1.556 2.002 0.444 2 0 "[ . ]" 1
262 1 28 SER QB 2 7 PRO HG2 3.000 . 4.000 2.438 2.279 2.634 . 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 21
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 4.999
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0391
_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 9 THR 0.133 0.059 6 0 "[ . ]"
1 10 GLU 0.000 0.000 . 0 "[ . ]"
1 11 TYR 0.000 0.000 . 0 "[ . ]"
1 13 THR 0.000 0.000 . 0 "[ . ]"
1 17 LYS 0.000 0.000 . 0 "[ . ]"
1 19 TYR 0.108 0.061 3 0 "[ . ]"
1 20 TYR 0.384 0.097 2 0 "[ . ]"
1 21 TYR 0.133 0.059 6 0 "[ . ]"
1 22 ASN 0.000 0.000 . 0 "[ . ]"
1 23 ASN 0.000 0.000 . 0 "[ . ]"
1 26 LEU 0.000 0.000 . 0 "[ . ]"
1 27 GLU 0.000 0.000 . 0 "[ . ]"
1 29 THR 0.384 0.097 2 0 "[ . ]"
1 30 TRP 0.108 0.061 3 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 10 GLU HA 1 20 TYR HA 2.200 . 3.200 2.946 2.439 3.187 . 0 0 "[ . ]" 2
2 1 23 ASN HA 1 26 LEU HA 2.200 . 3.200 2.901 2.748 3.164 . 0 0 "[ . ]" 2
3 1 19 TYR HA 1 30 TRP HA 2.200 . 3.200 3.059 2.677 3.261 0.061 3 0 "[ . ]" 2
4 1 9 THR H 1 21 TYR O 1.800 . 2.800 2.739 2.610 2.859 0.059 6 0 "[ . ]" 2
5 1 9 THR N 1 21 TYR O 2.800 . 3.800 3.679 3.509 3.820 0.020 6 0 "[ . ]" 2
6 1 9 THR O 1 21 TYR H 1.800 . 2.800 2.415 2.124 2.716 . 0 0 "[ . ]" 2
7 1 9 THR O 1 21 TYR N 2.800 . 3.800 3.281 3.003 3.523 . 0 0 "[ . ]" 2
8 1 11 TYR H 1 19 TYR O 1.800 . 2.800 1.974 1.831 2.058 . 0 0 "[ . ]" 2
9 1 11 TYR N 1 19 TYR O 2.800 . 3.800 2.933 2.796 3.011 . 0 0 "[ . ]" 2
10 1 11 TYR O 1 19 TYR H 1.800 . 2.800 2.145 2.076 2.221 . 0 0 "[ . ]" 2
11 1 11 TYR O 1 19 TYR N 2.800 . 3.800 3.076 2.973 3.155 . 0 0 "[ . ]" 2
12 1 13 THR H 1 17 LYS O 1.800 . 2.800 2.120 2.008 2.279 . 0 0 "[ . ]" 2
13 1 13 THR N 1 17 LYS O 2.800 . 3.800 3.074 2.979 3.245 . 0 0 "[ . ]" 2
14 1 22 ASN O 1 27 GLU H 1.800 . 2.800 1.848 1.673 2.106 . 0 0 "[ . ]" 2
15 1 22 ASN O 1 27 GLU N 2.800 . 3.800 2.712 2.621 2.841 . 0 0 "[ . ]" 2
16 1 22 ASN H 1 27 GLU O 1.800 . 2.800 2.019 1.821 2.246 . 0 0 "[ . ]" 2
17 1 22 ASN N 1 27 GLU O 2.800 . 3.800 2.666 2.608 2.798 . 0 0 "[ . ]" 2
18 1 20 TYR O 1 29 THR H 2.800 . 3.800 1.912 1.791 2.043 0.009 1 0 "[ . ]" 2
19 1 20 TYR O 1 29 THR N 1.800 . 2.800 2.811 2.709 2.897 0.097 2 0 "[ . ]" 2
20 1 20 TYR H 1 29 THR O 2.800 . 3.800 2.132 1.755 2.669 0.045 3 0 "[ . ]" 2
21 1 20 TYR N 1 29 THR O 2.800 . 3.800 2.921 2.622 3.315 . 0 0 "[ . ]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:55:13 PM GMT (wattos1)