NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633190 |
6e5i   |
30497 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6e5i
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 439
_Distance_constraint_stats_list.Viol_count 156
_Distance_constraint_stats_list.Viol_total 371.385
_Distance_constraint_stats_list.Viol_max 0.920
_Distance_constraint_stats_list.Viol_rms 0.0615
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.2381
_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 ASN 2.523 0.575 5 3 "[* + -]"
1 2 ASP 2.963 0.575 5 3 "[* + -]"
1 3 LYS 1.857 0.676 3 2 "[ + . - 1]"
1 4 CYS 3.016 0.914 6 3 "[ * .+ -1]"
1 5 LYS 1.612 0.257 4 0 "[ . 1]"
1 6 GLU 0.000 0.000 . 0 "[ . 1]"
1 7 LEU 3.615 0.920 10 3 "[ * . - +]"
1 8 LYS 7.307 0.827 3 9 [*-+*.*****]
1 9 LYS 1.824 0.380 4 0 "[ . 1]"
1 10 ARG 1.559 0.380 4 0 "[ . 1]"
1 11 TYR 0.000 0.000 . 0 "[ . 1]"
1 12 ORN 1.573 0.266 8 0 "[ . 1]"
1 13 CYS 1.728 0.329 6 0 "[ . 1]"
1 14 GLU 6.878 0.875 8 4 "[ - .* + *]"
1 15 VAL 5.699 0.583 10 4 "[ - . ** +]"
1 16 ARG 1.256 0.414 10 0 "[ . 1]"
1 17 CYS 0.000 0.000 . 0 "[ . 1]"
1 18 ASP 0.424 0.226 7 0 "[ . 1]"
1 19 DPR 0.178 0.076 3 0 "[ . 1]"
1 20 PRO 0.868 0.145 10 0 "[ . 1]"
1 21 ARG 0.690 0.145 10 0 "[ . 1]"
1 22 TYR 7.653 0.914 6 5 "[* *-.+ *1]"
1 23 GLU 4.104 0.506 1 2 "[+ -. 1]"
1 24 VAL 2.628 0.920 10 2 "[ - . +]"
1 25 HIS 3.010 0.875 8 4 "[ - .* + *]"
1 26 CYS 0.017 0.016 1 0 "[ . 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 8 LYS QB 1 9 LYS H 2.131 . 2.699 2.236 2.088 2.370 . 0 0 "[ . 1]" 1
2 1 7 LEU H 1 7 LEU HB2 2.234 . 2.858 2.217 2.191 2.243 . 0 0 "[ . 1]" 1
3 1 6 GLU HA 1 7 LEU H 2.319 . 2.991 2.635 2.630 2.644 . 0 0 "[ . 1]" 1
4 1 12 ORN HB3 1 12 ORN HD3 2.335 . 3.017 2.410 2.324 2.481 . 0 0 "[ . 1]" 1
5 1 12 ORN HB3 1 12 ORN HD2 2.341 . 3.026 2.181 2.176 2.184 . 0 0 "[ . 1]" 1
6 1 7 LEU HA 1 7 LEU HG 2.387 . 3.099 2.297 1.986 2.423 . 0 0 "[ . 1]" 1
7 1 3 LYS HA 1 3 LYS HG3 2.396 . 3.114 2.331 2.171 2.422 . 0 0 "[ . 1]" 1
8 1 12 ORN HA 1 12 ORN HB2 2.470 . 3.232 2.646 2.611 2.675 . 0 0 "[ . 1]" 1
9 1 25 HIS H 1 25 HIS HB3 2.482 . 3.252 2.722 2.383 3.253 0.001 9 0 "[ . 1]" 1
10 1 2 ASP HA 1 3 LYS H 2.494 . 3.271 2.739 2.678 2.781 . 0 0 "[ . 1]" 1
11 1 12 ORN HB3 1 13 CYS H 2.587 . 3.423 3.563 3.441 3.689 0.266 8 0 "[ . 1]" 1
12 1 16 ARG H 1 16 ARG HB3 2.608 . 3.458 2.843 2.385 3.261 . 0 0 "[ . 1]" 1
13 1 7 LEU H 1 7 LEU HB3 2.637 . 3.506 3.177 3.138 3.202 . 0 0 "[ . 1]" 1
14 1 8 LYS HA 1 11 TYR H 2.663 . 3.549 3.212 3.164 3.241 . 0 0 "[ . 1]" 1
15 1 11 TYR HB3 1 24 VAL QG 2.671 . 3.563 2.607 2.296 3.448 . 0 0 "[ . 1]" 1
16 1 5 LYS HA 1 5 LYS QD 2.692 . 3.598 3.247 2.867 3.644 0.046 5 0 "[ . 1]" 1
17 1 7 LEU QD 1 15 VAL QG 2.703 . 3.616 1.970 1.779 2.155 0.011 6 0 "[ . 1]" 1
18 1 24 VAL QG 1 25 HIS H 2.754 . 3.702 2.877 2.718 3.413 . 0 0 "[ . 1]" 1
19 1 16 ARG H 1 16 ARG HA 2.788 . 3.760 2.800 2.723 2.861 . 0 0 "[ . 1]" 1
20 1 8 LYS QD 1 9 LYS H 2.843 . 3.853 3.570 2.335 3.984 0.131 3 0 "[ . 1]" 1
21 1 11 TYR HB3 1 15 VAL QG 2.908 . 3.965 3.185 2.824 3.481 . 0 0 "[ . 1]" 1
22 1 15 VAL HB 1 16 ARG H 2.967 . 4.067 2.899 2.659 3.328 . 0 0 "[ . 1]" 1
23 1 6 GLU HA 1 9 LYS H 2.971 . 4.075 3.335 3.078 3.498 . 0 0 "[ . 1]" 1
24 1 8 LYS H 1 15 VAL H 2.976 . 4.083 4.135 3.973 4.312 0.229 9 0 "[ . 1]" 1
25 1 8 LYS QB 1 8 LYS QZ 3.004 . 4.132 2.932 2.693 3.053 . 0 0 "[ . 1]" 1
26 1 15 VAL QG 1 16 ARG HA 3.015 . 4.151 2.630 2.412 2.850 . 0 0 "[ . 1]" 1
27 1 4 CYS HA 1 7 LEU H 3.023 . 4.165 3.343 3.234 3.420 . 0 0 "[ . 1]" 1
28 1 2 ASP HA 1 5 LYS QD 3.023 . 4.165 3.273 2.803 3.700 . 0 0 "[ . 1]" 1
29 1 3 LYS QB 1 6 GLU H 3.057 . 4.225 3.717 3.670 3.804 . 0 0 "[ . 1]" 1
30 1 7 LEU H 1 7 LEU QD 3.107 . 4.314 3.077 3.032 3.128 . 0 0 "[ . 1]" 1
31 1 13 CYS HB3 1 25 HIS H 3.111 . 4.321 3.368 3.134 3.768 . 0 0 "[ . 1]" 1
32 1 16 ARG H 1 22 TYR HA 3.135 . 4.363 4.095 3.888 4.272 . 0 0 "[ . 1]" 1
33 1 16 ARG H 1 16 ARG HG2 3.160 . 4.408 3.130 2.375 3.577 . 0 0 "[ . 1]" 1
34 1 6 GLU H 1 7 LEU HB2 3.224 . 4.523 4.267 4.169 4.377 . 0 0 "[ . 1]" 1
35 1 18 ASP H 1 23 GLU QG 3.229 . 4.532 4.039 3.763 4.301 . 0 0 "[ . 1]" 1
36 1 8 LYS QB 1 14 GLU HA 3.251 . 4.572 4.392 3.976 4.902 0.330 4 0 "[ . 1]" 1
37 1 15 VAL HB 1 24 VAL H 3.265 . 4.597 4.106 3.553 4.390 . 0 0 "[ . 1]" 1
38 1 4 CYS QB 1 8 LYS H 3.284 . 4.632 3.558 2.798 3.949 . 0 0 "[ . 1]" 1
39 1 3 LYS QB 1 3 LYS QE 3.284 . 4.632 2.419 1.922 2.603 0.014 10 0 "[ . 1]" 1
40 1 6 GLU H 1 9 LYS H 3.289 . 4.641 3.909 3.860 3.955 . 0 0 "[ . 1]" 1
41 1 15 VAL HB 1 24 VAL HA 3.294 . 4.650 3.948 2.481 4.496 . 0 0 "[ . 1]" 1
42 1 8 LYS H 1 15 VAL QG 3.304 . 4.668 3.017 2.742 3.265 . 0 0 "[ . 1]" 1
43 1 15 VAL HA 1 23 GLU H 3.341 . 4.736 3.643 3.473 3.768 . 0 0 "[ . 1]" 1
44 1 7 LEU H 1 7 LEU QD 3.346 . 4.746 3.043 2.998 3.062 . 0 0 "[ . 1]" 1
45 1 16 ARG HB3 1 23 GLU H 3.361 . 4.773 3.627 2.822 4.125 . 0 0 "[ . 1]" 1
46 1 16 ARG H 1 24 VAL H 3.361 . 4.773 3.943 3.749 4.026 . 0 0 "[ . 1]" 1
47 1 4 CYS QB 1 6 GLU H 3.383 . 4.814 4.216 4.150 4.271 . 0 0 "[ . 1]" 1
48 1 24 VAL HB 1 25 HIS H 3.391 . 4.829 4.043 3.298 4.215 . 0 0 "[ . 1]" 1
49 1 7 LEU H 1 15 VAL QG 3.419 . 4.880 2.983 2.714 3.271 . 0 0 "[ . 1]" 1
50 1 3 LYS HG3 1 4 CYS HA 3.424 . 4.890 4.108 3.530 4.494 . 0 0 "[ . 1]" 1
51 1 7 LEU HB3 1 11 TYR H 3.440 . 4.919 4.147 4.043 4.239 . 0 0 "[ . 1]" 1
52 1 5 LYS H 1 7 LEU H 3.492 . 5.017 3.813 3.742 3.919 . 0 0 "[ . 1]" 1
53 1 11 TYR QE 1 15 VAL QG 3.509 . 5.048 3.690 3.302 4.015 . 0 0 "[ . 1]" 1
54 1 13 CYS HB2 1 25 HIS H 3.514 . 5.057 4.575 4.337 4.953 . 0 0 "[ . 1]" 1
55 1 3 LYS H 1 4 CYS QB 3.541 . 5.109 4.404 4.120 4.735 . 0 0 "[ . 1]" 1
56 1 3 LYS HA 1 3 LYS QE 3.562 . 5.148 3.827 3.013 4.250 . 0 0 "[ . 1]" 1
57 1 11 TYR HB3 1 15 VAL QG 3.694 . 5.399 3.466 3.060 3.930 . 0 0 "[ . 1]" 1
58 1 16 ARG H 1 16 ARG QD 3.698 . 5.408 3.848 3.257 4.272 . 0 0 "[ . 1]" 1
59 1 3 LYS HA 1 7 LEU QD 3.731 . 5.471 2.078 2.052 2.135 . 0 0 "[ . 1]" 1
60 1 5 LYS HG2 1 6 GLU HA 3.824 . 5.652 4.009 3.362 4.774 . 0 0 "[ . 1]" 1
61 1 9 LYS HA 1 10 ARG H 3.839 . 5.681 3.411 3.344 3.450 . 0 0 "[ . 1]" 1
62 1 3 LYS QB 1 7 LEU H 3.847 . 5.697 4.346 4.142 4.594 . 0 0 "[ . 1]" 1
63 1 15 VAL QG 1 18 ASP H 3.910 . 5.821 4.207 3.585 4.705 . 0 0 "[ . 1]" 1
64 1 8 LYS QB 1 11 TYR QD 3.946 . 5.892 4.943 4.834 5.039 . 0 0 "[ . 1]" 1
65 1 8 LYS HA 1 9 LYS HG2 3.975 . 5.950 4.923 3.492 6.064 0.114 10 0 "[ . 1]" 1
66 1 3 LYS QB 1 7 LEU QD 3.982 . 5.965 3.206 2.594 3.572 . 0 0 "[ . 1]" 1
67 1 16 ARG HA 1 23 GLU H 4.006 . 6.012 4.210 4.106 4.299 . 0 0 "[ . 1]" 1
68 1 8 LYS QZ 1 14 GLU HG3 4.013 . 6.026 4.287 2.757 5.268 . 0 0 "[ . 1]" 1
69 1 7 LEU H 1 11 TYR QD 4.297 . 6.605 4.438 4.381 4.521 . 0 0 "[ . 1]" 1
70 1 16 ARG H 1 22 TYR QD 4.466 . 6.959 4.292 3.984 4.512 . 0 0 "[ . 1]" 1
71 1 12 ORN HD2 1 12 ORN HD3 1.816 . 2.228 1.758 1.756 1.760 . 0 0 "[ . 1]" 1
72 1 19 DPR HD2 1 19 DPR HD3 1.885 . 2.329 1.776 1.774 1.778 . 0 0 "[ . 1]" 1
73 1 16 ARG HA 1 17 CYS H 2.054 . 2.581 2.163 2.102 2.287 . 0 0 "[ . 1]" 1
74 1 25 HIS HA 1 26 CYS H 2.058 . 2.587 2.185 2.131 2.236 . 0 0 "[ . 1]" 1
75 1 14 GLU HA 1 15 VAL H 2.065 . 2.598 2.167 2.101 2.269 . 0 0 "[ . 1]" 1
76 1 23 GLU HA 1 24 VAL H 2.089 . 2.634 2.190 2.129 2.421 . 0 0 "[ . 1]" 1
77 1 24 VAL HA 1 25 HIS H 2.099 . 2.650 2.136 2.112 2.191 . 0 0 "[ . 1]" 1
78 1 24 VAL MG1 1 24 VAL MG2 2.117 . 2.677 2.087 2.081 2.092 . 0 0 "[ . 1]" 1
79 1 15 VAL HA 1 16 ARG H 2.126 . 2.691 2.140 2.084 2.182 . 0 0 "[ . 1]" 1
80 1 22 TYR HA 1 23 GLU H 2.148 . 2.725 2.146 2.122 2.201 . 0 0 "[ . 1]" 1
81 1 21 ARG HA 1 22 TYR H 2.156 . 2.737 2.206 2.092 2.320 . 0 0 "[ . 1]" 1
82 1 18 ASP HA 1 19 DPR HD3 2.163 . 2.748 2.162 1.955 2.460 . 0 0 "[ . 1]" 1
83 1 4 CYS H 1 4 CYS QB 2.200 . 2.805 2.365 2.228 2.482 . 0 0 "[ . 1]" 1
84 1 19 DPR HA 1 20 PRO HD3 2.206 . 2.814 2.219 2.171 2.271 . 0 0 "[ . 1]" 1
85 1 3 LYS HA 1 3 LYS QB 2.237 . 2.863 2.388 2.321 2.476 . 0 0 "[ . 1]" 1
86 1 12 ORN HA 1 12 ORN HD3 2.241 . 2.869 1.970 1.943 1.993 . 0 0 "[ . 1]" 1
87 1 19 DPR HA 1 20 PRO HD2 2.261 . 2.900 2.172 2.124 2.241 . 0 0 "[ . 1]" 1
88 1 8 LYS H 1 8 LYS QB 2.272 . 2.917 2.227 2.204 2.247 . 0 0 "[ . 1]" 1
89 1 12 ORN HD2 1 12 ORN HG2 2.303 . 2.966 2.983 2.969 2.996 0.030 1 0 "[ . 1]" 1
90 1 3 LYS H 1 3 LYS QB 2.305 . 2.969 2.288 2.221 2.454 . 0 0 "[ . 1]" 1
91 1 11 TYR HB2 1 11 TYR QD 2.313 . 2.982 2.381 2.334 2.450 . 0 0 "[ . 1]" 1
92 1 12 ORN HA 1 13 CYS H 2.313 . 2.982 2.279 2.225 2.329 . 0 0 "[ . 1]" 1
93 1 13 CYS HA 1 14 GLU H 2.313 . 2.982 2.266 2.186 2.373 . 0 0 "[ . 1]" 1
94 1 22 TYR HB3 1 22 TYR QD 2.315 . 2.985 2.401 2.366 2.447 . 0 0 "[ . 1]" 1
95 1 22 TYR HB2 1 22 TYR QD 2.319 . 2.991 2.384 2.342 2.419 . 0 0 "[ . 1]" 1
96 1 5 LYS H 1 5 LYS QB 2.324 . 2.999 2.308 2.223 2.461 . 0 0 "[ . 1]" 1
97 1 6 GLU H 1 6 GLU QB 2.327 . 3.004 2.389 2.297 2.464 . 0 0 "[ . 1]" 1
98 1 19 DPR HA 1 19 DPR HB3 2.334 . 3.015 2.271 2.262 2.279 . 0 0 "[ . 1]" 1
99 1 11 TYR HB3 1 11 TYR QD 2.352 . 3.043 2.412 2.342 2.459 . 0 0 "[ . 1]" 1
100 1 7 LEU MD1 1 7 LEU MD2 2.357 . 3.051 2.073 2.069 2.077 . 0 0 "[ . 1]" 1
101 1 21 ARG HA 1 21 ARG QB 2.357 . 3.052 2.372 2.342 2.414 . 0 0 "[ . 1]" 1
102 1 20 PRO HA 1 20 PRO HB3 2.360 . 3.056 2.314 2.306 2.329 . 0 0 "[ . 1]" 1
103 1 14 GLU H 1 14 GLU QB 2.366 . 3.066 2.387 2.238 2.483 . 0 0 "[ . 1]" 1
104 1 11 TYR H 1 11 TYR HB2 2.368 . 3.069 2.367 2.307 2.420 . 0 0 "[ . 1]" 1
105 1 21 ARG H 1 21 ARG QB 2.389 . 3.103 2.477 2.388 2.553 . 0 0 "[ . 1]" 1
106 1 14 GLU HA 1 14 GLU QB 2.395 . 3.112 2.373 2.307 2.417 . 0 0 "[ . 1]" 1
107 1 13 CYS H 1 13 CYS HB2 2.414 . 3.143 2.532 2.401 2.660 . 0 0 "[ . 1]" 1
108 1 10 ARG HA 1 10 ARG HB2 2.414 . 3.143 2.418 2.396 2.432 . 0 0 "[ . 1]" 1
109 1 15 VAL H 1 15 VAL HB 2.417 . 3.147 3.059 2.505 3.730 0.583 10 4 "[ - . ** +]" 1
110 1 4 CYS HA 1 4 CYS QB 2.431 . 3.170 2.378 2.344 2.419 . 0 0 "[ . 1]" 1
111 1 13 CYS HA 1 13 CYS HB3 2.434 . 3.175 2.439 2.379 2.491 . 0 0 "[ . 1]" 1
112 1 11 TYR HA 1 11 TYR HB3 2.440 . 3.184 2.533 2.509 2.603 . 0 0 "[ . 1]" 1
113 1 11 TYR HA 1 11 TYR QD 2.441 . 3.186 2.857 2.776 2.986 . 0 0 "[ . 1]" 1
114 1 18 ASP HA 1 19 DPR HD2 2.449 . 3.199 2.511 2.220 2.754 . 0 0 "[ . 1]" 1
115 1 7 LEU H 1 7 LEU HG 2.451 . 3.202 2.386 2.267 2.446 . 0 0 "[ . 1]" 1
116 1 12 ORN HG2 1 13 CYS H 2.454 . 3.207 2.286 2.095 2.525 . 0 0 "[ . 1]" 1
117 1 24 VAL H 1 24 VAL HB 2.457 . 3.211 2.666 2.512 3.672 0.461 6 0 "[ . 1]" 1
118 1 6 GLU H 1 6 GLU HA 2.460 . 3.217 2.821 2.798 2.854 . 0 0 "[ . 1]" 1
119 1 12 ORN HD3 1 12 ORN HG2 2.462 . 3.220 2.601 2.561 2.635 . 0 0 "[ . 1]" 1
120 1 26 CYS H 1 26 CYS HB2 2.470 . 3.233 2.598 2.450 3.028 . 0 0 "[ . 1]" 1
121 1 7 LEU HA 1 7 LEU QD 2.472 . 3.236 2.084 2.055 2.141 . 0 0 "[ . 1]" 1
122 1 3 LYS H 1 4 CYS H 2.473 . 3.237 2.652 2.582 2.760 . 0 0 "[ . 1]" 1
123 1 17 CYS H 1 17 CYS HB2 2.480 . 3.249 2.539 2.478 2.650 . 0 0 "[ . 1]" 1
124 1 12 ORN HA 1 12 ORN HB3 2.484 . 3.255 2.518 2.494 2.548 . 0 0 "[ . 1]" 1
125 1 10 ARG H 1 10 ARG HB2 2.485 . 3.257 2.576 2.519 2.615 . 0 0 "[ . 1]" 1
126 1 10 ARG H 1 10 ARG HB3 2.497 . 3.277 2.427 2.386 2.455 . 0 0 "[ . 1]" 1
127 1 19 DPR HD3 1 19 DPR HG2 2.500 . 3.281 2.811 2.685 2.992 . 0 0 "[ . 1]" 1
128 1 26 CYS HA 1 26 CYS HB3 2.504 . 3.288 2.632 2.432 3.022 . 0 0 "[ . 1]" 1
129 1 20 PRO HA 1 20 PRO HB2 2.505 . 3.290 2.674 2.659 2.687 . 0 0 "[ . 1]" 1
130 1 4 CYS QB 1 5 LYS H 2.505 . 3.290 2.597 2.456 2.725 . 0 0 "[ . 1]" 1
131 1 19 DPR HD2 1 19 DPR HG3 2.510 . 3.297 2.872 2.687 2.992 . 0 0 "[ . 1]" 1
132 1 6 GLU H 1 7 LEU H 2.510 . 3.298 2.653 2.529 2.737 . 0 0 "[ . 1]" 1
133 1 24 VAL HA 1 24 VAL QG 2.526 . 3.323 2.145 2.125 2.280 . 0 0 "[ . 1]" 1
134 1 16 ARG HA 1 16 ARG HB3 2.529 . 3.328 2.627 2.390 3.023 . 0 0 "[ . 1]" 1
135 1 15 VAL HA 1 15 VAL HB 2.535 . 3.338 2.709 2.356 3.025 . 0 0 "[ . 1]" 1
136 1 20 PRO HD2 1 20 PRO HG3 2.547 . 3.358 2.745 2.727 2.772 . 0 0 "[ . 1]" 1
137 1 15 VAL HA 1 15 VAL QG 2.548 . 3.360 2.238 2.119 2.408 . 0 0 "[ . 1]" 1
138 1 25 HIS HA 1 25 HIS HB3 2.551 . 3.365 2.847 2.554 3.027 . 0 0 "[ . 1]" 1
139 1 17 CYS HA 1 18 ASP H 2.558 . 3.376 2.147 2.114 2.244 . 0 0 "[ . 1]" 1
140 1 7 LEU HB3 1 15 VAL QG 2.563 . 3.384 2.081 1.902 2.294 . 0 0 "[ . 1]" 1
141 1 7 LEU QD 1 11 TYR QE 2.564 . 3.386 2.091 1.932 2.239 . 0 0 "[ . 1]" 1
142 1 25 HIS HA 1 25 HIS HB2 2.564 . 3.386 2.695 2.426 3.020 . 0 0 "[ . 1]" 1
143 1 8 LYS HA 1 8 LYS QG 2.567 . 3.391 2.463 2.396 2.557 . 0 0 "[ . 1]" 1
144 1 20 PRO HD3 1 20 PRO HG3 2.578 . 3.409 2.285 2.276 2.292 . 0 0 "[ . 1]" 1
145 1 16 ARG H 1 16 ARG HB2 2.579 . 3.411 2.644 2.344 3.102 . 0 0 "[ . 1]" 1
146 1 13 CYS HB3 1 14 GLU H 2.584 . 3.418 2.796 2.547 2.970 . 0 0 "[ . 1]" 1
147 1 2 ASP HA 1 2 ASP HB3 2.586 . 3.422 2.546 2.458 3.025 . 0 0 "[ . 1]" 1
148 1 8 LYS HA 1 15 VAL QG 2.587 . 3.424 2.352 2.079 2.518 . 0 0 "[ . 1]" 1
149 1 1 ASN HA 1 2 ASP H 2.588 . 3.425 2.474 2.138 3.233 . 0 0 "[ . 1]" 1
150 1 6 GLU QB 1 7 LEU H 2.595 . 3.437 2.520 2.395 2.689 . 0 0 "[ . 1]" 1
151 1 13 CYS HB3 1 26 CYS HA 2.597 . 3.440 2.542 2.102 2.738 . 0 0 "[ . 1]" 1
152 1 8 LYS HA 1 8 LYS QD 2.597 . 3.440 3.972 3.215 4.267 0.827 3 9 [*-+*.*****] 1
153 1 23 GLU HA 1 23 GLU HB3 2.606 . 3.455 2.483 2.431 2.564 . 0 0 "[ . 1]" 1
154 1 7 LEU HB2 1 7 LEU QD 2.617 . 3.473 2.222 2.199 2.232 . 0 0 "[ . 1]" 1
155 1 15 VAL QG 1 24 VAL QG 2.620 . 3.478 2.074 1.874 2.318 . 0 0 "[ . 1]" 1
156 1 21 ARG HA 1 21 ARG QG 2.630 . 3.495 2.477 2.338 2.996 . 0 0 "[ . 1]" 1
157 1 7 LEU QD 1 24 VAL QG 2.631 . 3.497 3.522 3.052 4.417 0.920 10 2 "[ - . +]" 1
158 1 19 DPR HD2 1 19 DPR HG2 2.635 . 3.503 2.309 2.298 2.317 . 0 0 "[ . 1]" 1
159 1 7 LEU HB3 1 7 LEU QD 2.636 . 3.504 2.117 2.112 2.128 . 0 0 "[ . 1]" 1
160 1 16 ARG HA 1 16 ARG HB2 2.640 . 3.511 2.841 2.368 3.024 . 0 0 "[ . 1]" 1
161 1 18 ASP H 1 18 ASP HB3 2.641 . 3.513 2.925 2.570 3.739 0.226 7 0 "[ . 1]" 1
162 1 9 LYS H 1 10 ARG H 2.644 . 3.518 2.567 2.462 2.686 . 0 0 "[ . 1]" 1
163 1 5 LYS H 1 6 GLU H 2.646 . 3.521 2.549 2.426 2.700 . 0 0 "[ . 1]" 1
164 1 8 LYS H 1 9 LYS H 2.648 . 3.525 2.677 2.574 2.801 . 0 0 "[ . 1]" 1
165 1 10 ARG HB3 1 11 TYR H 2.651 . 3.529 2.512 2.412 2.700 . 0 0 "[ . 1]" 1
166 1 14 GLU QB 1 25 HIS HB3 2.654 . 3.534 2.929 2.028 3.539 0.005 7 0 "[ . 1]" 1
167 1 21 ARG QB 1 22 TYR H 2.656 . 3.538 2.842 2.548 3.263 . 0 0 "[ . 1]" 1
168 1 8 LYS H 1 8 LYS HA 2.659 . 3.543 2.805 2.780 2.826 . 0 0 "[ . 1]" 1
169 1 10 ARG HA 1 10 ARG HB3 2.665 . 3.553 3.019 3.016 3.023 . 0 0 "[ . 1]" 1
170 1 12 ORN HA 1 12 ORN HD2 2.668 . 3.558 3.440 3.376 3.522 . 0 0 "[ . 1]" 1
171 1 10 ARG H 1 10 ARG HA 2.668 . 3.558 2.809 2.791 2.843 . 0 0 "[ . 1]" 1
172 1 11 TYR HB2 1 15 VAL QG 2.670 . 3.561 2.601 2.261 2.993 . 0 0 "[ . 1]" 1
173 1 5 LYS QB 1 6 GLU H 2.674 . 3.568 2.580 2.466 2.685 . 0 0 "[ . 1]" 1
174 1 19 DPR HD3 1 19 DPR HG3 2.676 . 3.571 2.306 2.296 2.317 . 0 0 "[ . 1]" 1
175 1 23 GLU HA 1 23 GLU HB2 2.687 . 3.590 3.019 3.008 3.025 . 0 0 "[ . 1]" 1
176 1 4 CYS H 1 4 CYS HA 2.688 . 3.591 2.804 2.777 2.831 . 0 0 "[ . 1]" 1
177 1 22 TYR HB3 1 23 GLU H 2.690 . 3.594 3.465 2.930 3.953 0.359 1 0 "[ . 1]" 1
178 1 25 HIS H 1 25 HIS HB2 2.698 . 3.608 2.688 2.316 3.080 . 0 0 "[ . 1]" 1
179 1 19 DPR HA 1 19 DPR HB2 2.706 . 3.621 2.869 2.736 2.960 . 0 0 "[ . 1]" 1
180 1 16 ARG H 1 23 GLU H 2.707 . 3.623 2.921 2.603 3.325 . 0 0 "[ . 1]" 1
181 1 9 LYS HB2 1 10 ARG H 2.708 . 3.625 3.383 2.542 4.005 0.380 4 0 "[ . 1]" 1
182 1 24 VAL H 1 24 VAL HA 2.709 . 3.627 2.912 2.880 2.946 . 0 0 "[ . 1]" 1
183 1 15 VAL QG 1 16 ARG H 2.709 . 3.627 3.087 2.618 3.429 . 0 0 "[ . 1]" 1
184 1 11 TYR HA 1 11 TYR HB2 2.713 . 3.633 3.008 2.989 3.013 . 0 0 "[ . 1]" 1
185 1 5 LYS H 1 5 LYS HA 2.716 . 3.638 2.840 2.807 2.869 . 0 0 "[ . 1]" 1
186 1 24 VAL H 1 24 VAL QG 2.716 . 3.638 2.364 1.920 2.612 . 0 0 "[ . 1]" 1
187 1 4 CYS H 1 5 LYS H 2.726 . 3.655 2.641 2.527 2.747 . 0 0 "[ . 1]" 1
188 1 21 ARG H 1 21 ARG HA 2.730 . 3.662 2.939 2.930 2.947 . 0 0 "[ . 1]" 1
189 1 23 GLU H 1 23 GLU HB2 2.736 . 3.672 2.502 2.408 2.614 . 0 0 "[ . 1]" 1
190 1 3 LYS H 1 3 LYS HA 2.737 . 3.673 2.804 2.788 2.822 . 0 0 "[ . 1]" 1
191 1 2 ASP HA 1 2 ASP HB2 2.738 . 3.675 2.601 2.373 3.020 . 0 0 "[ . 1]" 1
192 1 4 CYS QB 1 22 TYR QE 2.740 . 3.678 3.590 2.371 4.592 0.914 6 3 "[ * .+ -1]" 1
193 1 23 GLU H 1 23 GLU HA 2.741 . 3.680 2.931 2.906 2.952 . 0 0 "[ . 1]" 1
194 1 18 ASP HB3 1 21 ARG QB 2.743 . 3.683 2.590 2.232 3.653 . 0 0 "[ . 1]" 1
195 1 13 CYS HB3 1 24 VAL QG 2.750 . 3.695 2.818 2.255 4.024 0.329 6 0 "[ . 1]" 1
196 1 9 LYS H 1 9 LYS HA 2.750 . 3.695 2.838 2.809 2.867 . 0 0 "[ . 1]" 1
197 1 26 CYS H 1 26 CYS HA 2.754 . 3.702 2.911 2.885 2.936 . 0 0 "[ . 1]" 1
198 1 3 LYS QB 1 4 CYS H 2.757 . 3.707 2.627 2.473 2.764 . 0 0 "[ . 1]" 1
199 1 11 TYR H 1 11 TYR HA 2.758 . 3.709 2.901 2.880 2.923 . 0 0 "[ . 1]" 1
200 1 21 ARG H 1 21 ARG QG 2.758 . 3.709 2.716 2.478 2.879 . 0 0 "[ . 1]" 1
201 1 22 TYR HA 1 22 TYR QD 2.767 . 3.724 2.916 2.778 3.003 . 0 0 "[ . 1]" 1
202 1 11 TYR H 1 11 TYR QD 2.777 . 3.741 2.588 2.452 2.667 . 0 0 "[ . 1]" 1
203 1 22 TYR H 1 22 TYR QD 2.780 . 3.746 2.969 2.867 3.050 . 0 0 "[ . 1]" 1
204 1 18 ASP H 1 22 TYR HA 2.782 . 3.749 3.095 2.896 3.285 . 0 0 "[ . 1]" 1
205 1 14 GLU H 1 14 GLU HA 2.783 . 3.751 2.916 2.883 2.943 . 0 0 "[ . 1]" 1
206 1 14 GLU QB 1 25 HIS HB2 2.785 . 3.754 3.496 2.321 4.629 0.875 8 4 "[ - .* + *]" 1
207 1 22 TYR H 1 22 TYR HB3 2.797 . 3.775 3.829 3.752 3.864 0.089 7 0 "[ . 1]" 1
208 1 26 CYS HA 1 26 CYS HB2 2.797 . 3.775 2.887 2.530 3.026 . 0 0 "[ . 1]" 1
209 1 17 CYS HA 1 17 CYS HB2 2.802 . 3.784 3.022 3.017 3.026 . 0 0 "[ . 1]" 1
210 1 23 GLU HA 1 23 GLU QG 2.804 . 3.787 2.723 2.389 3.003 . 0 0 "[ . 1]" 1
211 1 13 CYS HA 1 13 CYS HB2 2.807 . 3.792 3.019 3.011 3.027 . 0 0 "[ . 1]" 1
212 1 11 TYR QD 1 15 VAL QG 2.814 . 3.804 2.678 2.378 3.106 . 0 0 "[ . 1]" 1
213 1 11 TYR H 1 11 TYR HB3 2.817 . 3.809 3.600 3.573 3.637 . 0 0 "[ . 1]" 1
214 1 20 PRO HD3 1 21 ARG H 2.819 . 3.812 3.880 3.805 3.957 0.145 10 0 "[ . 1]" 1
215 1 10 ARG HA 1 10 ARG HG3 2.822 . 3.818 2.636 2.599 2.676 . 0 0 "[ . 1]" 1
216 1 13 CYS H 1 13 CYS HA 2.832 . 3.835 2.864 2.819 2.900 . 0 0 "[ . 1]" 1
217 1 22 TYR H 1 22 TYR HA 2.832 . 3.835 2.934 2.930 2.938 . 0 0 "[ . 1]" 1
218 1 2 ASP H 1 2 ASP HB2 2.841 . 3.850 3.159 2.388 3.656 . 0 0 "[ . 1]" 1
219 1 7 LEU QD 1 22 TYR QD 2.841 . 3.850 2.664 2.554 2.734 . 0 0 "[ . 1]" 1
220 1 15 VAL H 1 15 VAL QG 2.848 . 3.862 2.196 1.843 2.550 0.109 4 0 "[ . 1]" 1
221 1 1 ASN HA 1 1 ASN HB2 2.854 . 3.872 2.854 2.429 3.030 . 0 0 "[ . 1]" 1
222 1 14 GLU H 1 26 CYS HA 2.854 . 3.872 3.206 2.733 3.888 0.016 1 0 "[ . 1]" 1
223 1 1 ASN HB3 1 2 ASP H 2.856 . 3.875 3.834 2.674 4.450 0.575 5 3 "[* + -]" 1
224 1 18 ASP H 1 18 ASP HB2 2.856 . 3.875 2.885 2.532 3.062 . 0 0 "[ . 1]" 1
225 1 7 LEU HB3 1 11 TYR QD 2.865 . 3.891 2.820 2.681 2.985 . 0 0 "[ . 1]" 1
226 1 1 ASN HA 1 1 ASN HB3 2.876 . 3.910 2.613 2.483 3.027 . 0 0 "[ . 1]" 1
227 1 17 CYS HB3 1 19 DPR HD2 2.878 . 3.914 3.334 3.065 3.773 . 0 0 "[ . 1]" 1
228 1 9 LYS HA 1 10 ARG H 2.880 . 3.917 3.519 3.477 3.539 . 0 0 "[ . 1]" 1
229 1 22 TYR HB2 1 23 GLU H 2.882 . 3.920 4.247 3.940 4.426 0.506 1 2 "[+ -. 1]" 1
230 1 8 LYS HA 1 9 LYS H 2.888 . 3.931 3.524 3.496 3.552 . 0 0 "[ . 1]" 1
231 1 5 LYS HA 1 6 GLU H 2.894 . 3.941 3.530 3.514 3.549 . 0 0 "[ . 1]" 1
232 1 3 LYS HA 1 4 CYS H 2.896 . 3.944 3.511 3.467 3.533 . 0 0 "[ . 1]" 1
233 1 11 TYR QD 1 24 VAL QG 2.904 . 3.958 2.579 2.457 2.900 . 0 0 "[ . 1]" 1
234 1 4 CYS HA 1 5 LYS H 2.904 . 3.958 3.509 3.485 3.540 . 0 0 "[ . 1]" 1
235 1 15 VAL QG 1 22 TYR QD 2.908 . 3.965 2.975 2.630 3.472 . 0 0 "[ . 1]" 1
236 1 2 ASP H 1 2 ASP HB3 2.917 . 3.981 2.898 2.449 3.645 . 0 0 "[ . 1]" 1
237 1 18 ASP H 1 18 ASP HA 2.919 . 3.984 2.946 2.943 2.949 . 0 0 "[ . 1]" 1
238 1 7 LEU QD 1 22 TYR HB2 2.921 . 3.988 3.009 2.690 3.369 . 0 0 "[ . 1]" 1
239 1 15 VAL HA 1 25 HIS H 2.921 . 3.988 2.967 2.526 3.364 . 0 0 "[ . 1]" 1
240 1 16 ARG HA 1 16 ARG HG3 2.923 . 3.991 3.207 2.668 3.785 . 0 0 "[ . 1]" 1
241 1 6 GLU H 1 6 GLU HG3 2.932 . 4.007 3.158 2.230 3.755 . 0 0 "[ . 1]" 1
242 1 20 PRO HB3 1 20 PRO HD2 2.934 . 4.010 3.869 3.861 3.879 . 0 0 "[ . 1]" 1
243 1 14 GLU QB 1 15 VAL H 2.937 . 4.015 3.489 3.023 3.926 . 0 0 "[ . 1]" 1
244 1 10 ARG HB3 1 11 TYR QD 2.941 . 4.022 2.816 2.655 2.929 . 0 0 "[ . 1]" 1
245 1 6 GLU HA 1 6 GLU HG2 2.943 . 4.026 2.753 2.429 3.071 . 0 0 "[ . 1]" 1
246 1 7 LEU QD 1 15 VAL QG 2.950 . 4.038 2.527 2.153 2.866 . 0 0 "[ . 1]" 1
247 1 7 LEU HA 1 10 ARG H 2.967 . 4.067 3.269 3.085 3.361 . 0 0 "[ . 1]" 1
248 1 16 ARG HA 1 16 ARG HG2 2.974 . 4.080 2.894 2.483 3.249 . 0 0 "[ . 1]" 1
249 1 23 GLU HB3 1 24 VAL H 2.981 . 4.092 3.359 2.516 3.782 . 0 0 "[ . 1]" 1
250 1 10 ARG HD2 1 10 ARG HG2 2.984 . 4.097 3.012 3.005 3.018 . 0 0 "[ . 1]" 1
251 1 18 ASP HB2 1 21 ARG QB 2.984 . 4.097 3.645 2.460 4.051 . 0 0 "[ . 1]" 1
252 1 17 CYS H 1 17 CYS HB3 2.986 . 4.101 3.665 3.608 3.748 . 0 0 "[ . 1]" 1
253 1 15 VAL QG 1 24 VAL HA 2.989 . 4.106 2.682 2.440 2.947 . 0 0 "[ . 1]" 1
254 1 12 ORN HD3 1 13 CYS H 2.996 . 4.118 2.783 2.652 3.017 . 0 0 "[ . 1]" 1
255 1 4 CYS HA 1 22 TYR QE 3.002 . 4.128 3.304 3.015 3.893 . 0 0 "[ . 1]" 1
256 1 20 PRO HA 1 21 ARG H 3.007 . 4.137 3.353 3.297 3.421 . 0 0 "[ . 1]" 1
257 1 17 CYS HB3 1 18 ASP H 3.007 . 4.137 3.689 3.438 4.048 . 0 0 "[ . 1]" 1
258 1 23 GLU H 1 23 GLU HB3 3.015 . 4.151 3.671 3.621 3.745 . 0 0 "[ . 1]" 1
259 1 7 LEU HA 1 11 TYR QD 3.020 . 4.160 2.968 2.772 3.211 . 0 0 "[ . 1]" 1
260 1 5 LYS HA 1 5 LYS HG2 3.023 . 4.165 2.812 2.505 3.135 . 0 0 "[ . 1]" 1
261 1 11 TYR QE 1 24 VAL QG 3.026 . 4.170 2.695 2.570 2.820 . 0 0 "[ . 1]" 1
262 1 9 LYS HB3 1 10 ARG H 3.029 . 4.175 2.960 2.494 3.623 . 0 0 "[ . 1]" 1
263 1 20 PRO HB2 1 20 PRO HD2 3.029 . 4.175 4.012 3.993 4.024 . 0 0 "[ . 1]" 1
264 1 7 LEU QD 1 11 TYR QD 3.029 . 4.175 3.213 3.020 3.380 . 0 0 "[ . 1]" 1
265 1 19 DPR HA 1 19 DPR HG2 3.031 . 4.180 3.916 3.858 3.966 . 0 0 "[ . 1]" 1
266 1 7 LEU QD 1 22 TYR HB3 3.031 . 4.180 2.597 2.294 3.048 . 0 0 "[ . 1]" 1
267 1 22 TYR H 1 22 TYR HB2 3.043 . 4.200 2.741 2.613 2.797 . 0 0 "[ . 1]" 1
268 1 15 VAL QG 1 22 TYR HB3 3.048 . 4.210 2.886 2.299 3.696 . 0 0 "[ . 1]" 1
269 1 14 GLU H 1 14 GLU HG3 3.051 . 4.215 3.293 2.293 4.630 0.415 8 0 "[ . 1]" 1
270 1 16 ARG H 1 16 ARG HG3 3.060 . 4.231 3.612 2.487 4.645 0.414 10 0 "[ . 1]" 1
271 1 5 LYS H 1 5 LYS HG3 3.063 . 4.236 3.456 2.305 4.493 0.257 4 0 "[ . 1]" 1
272 1 19 DPR HA 1 19 DPR HD3 3.072 . 4.252 3.623 3.424 3.756 . 0 0 "[ . 1]" 1
273 1 13 CYS H 1 13 CYS HB3 3.075 . 4.257 3.603 3.580 3.631 . 0 0 "[ . 1]" 1
274 1 4 CYS HA 1 7 LEU QD 3.078 . 4.263 2.623 2.346 2.831 . 0 0 "[ . 1]" 1
275 1 5 LYS HA 1 8 LYS H 3.078 . 4.263 3.408 3.174 3.686 . 0 0 "[ . 1]" 1
276 1 14 GLU QB 1 25 HIS H 3.091 . 4.285 3.733 3.103 4.227 . 0 0 "[ . 1]" 1
277 1 18 ASP H 1 21 ARG QB 3.101 . 4.303 3.449 3.099 3.712 . 0 0 "[ . 1]" 1
278 1 19 DPR HB3 1 20 PRO HD2 3.104 . 4.308 4.287 4.174 4.384 0.076 3 0 "[ . 1]" 1
279 1 13 CYS HB2 1 14 GLU H 3.104 . 4.308 3.806 3.592 3.974 . 0 0 "[ . 1]" 1
280 1 10 ARG HA 1 10 ARG HG2 3.121 . 4.338 3.191 3.111 3.252 . 0 0 "[ . 1]" 1
281 1 14 GLU H 1 25 HIS H 3.124 . 4.344 3.603 3.345 3.932 . 0 0 "[ . 1]" 1
282 1 9 LYS HA 1 9 LYS HG3 3.128 . 4.351 2.917 2.454 3.695 . 0 0 "[ . 1]" 1
283 1 6 GLU H 1 6 GLU HG2 3.131 . 4.357 2.791 2.203 3.471 . 0 0 "[ . 1]" 1
284 1 20 PRO HA 1 20 PRO HG3 3.138 . 4.369 4.045 4.035 4.057 . 0 0 "[ . 1]" 1
285 1 17 CYS HA 1 22 TYR QE 3.142 . 4.376 3.702 3.148 4.081 . 0 0 "[ . 1]" 1
286 1 21 ARG HA 1 22 TYR QD 3.145 . 4.382 3.517 3.294 3.877 . 0 0 "[ . 1]" 1
287 1 2 ASP HB2 1 3 LYS H 3.149 . 4.389 3.984 3.518 4.455 0.066 6 0 "[ . 1]" 1
288 1 16 ARG HA 1 16 ARG QD 3.153 . 4.395 3.611 2.065 4.267 . 0 0 "[ . 1]" 1
289 1 23 GLU H 1 23 GLU QG 3.168 . 4.422 2.665 2.338 3.044 . 0 0 "[ . 1]" 1
290 1 5 LYS HA 1 5 LYS HG3 3.171 . 4.428 2.858 2.609 3.205 . 0 0 "[ . 1]" 1
291 1 19 DPR HA 1 19 DPR HG3 3.175 . 4.435 3.420 3.016 3.972 . 0 0 "[ . 1]" 1
292 1 22 TYR HB2 1 22 TYR QE 3.175 . 4.435 4.404 4.395 4.415 . 0 0 "[ . 1]" 1
293 1 17 CYS HB2 1 19 DPR HD2 3.179 . 4.442 3.787 3.566 4.132 . 0 0 "[ . 1]" 1
294 1 7 LEU QD 1 22 TYR QE 3.187 . 4.457 3.104 2.734 3.314 . 0 0 "[ . 1]" 1
295 1 14 GLU HA 1 14 GLU HG2 3.187 . 4.457 2.763 2.411 3.221 . 0 0 "[ . 1]" 1
296 1 3 LYS HA 1 3 LYS HG2 3.191 . 4.464 3.195 2.420 3.796 . 0 0 "[ . 1]" 1
297 1 8 LYS H 1 8 LYS QG 3.199 . 4.478 3.958 3.939 3.973 . 0 0 "[ . 1]" 1
298 1 7 LEU HB3 1 11 TYR QE 3.203 . 4.486 3.258 3.097 3.432 . 0 0 "[ . 1]" 1
299 1 13 CYS HB2 1 26 CYS HA 3.207 . 4.493 3.986 3.609 4.131 . 0 0 "[ . 1]" 1
300 1 2 ASP H 1 3 LYS H 3.207 . 4.493 2.536 2.397 2.676 . 0 0 "[ . 1]" 1
301 1 18 ASP H 1 21 ARG H 3.211 . 4.500 3.682 3.572 3.945 . 0 0 "[ . 1]" 1
302 1 21 ARG QG 1 22 TYR H 3.224 . 4.523 4.018 3.761 4.386 . 0 0 "[ . 1]" 1
303 1 3 LYS HA 1 6 GLU HG3 3.229 . 4.532 3.278 2.796 3.870 . 0 0 "[ . 1]" 1
304 1 9 LYS HA 1 9 LYS HG2 3.237 . 4.547 3.265 2.602 3.796 . 0 0 "[ . 1]" 1
305 1 24 VAL QG 1 25 HIS H 3.246 . 4.563 3.105 2.905 3.555 . 0 0 "[ . 1]" 1
306 1 11 TYR HB2 1 24 VAL QG 3.265 . 4.597 3.354 3.063 3.788 . 0 0 "[ . 1]" 1
307 1 8 LYS HA 1 11 TYR HB2 3.265 . 4.597 3.450 3.268 3.674 . 0 0 "[ . 1]" 1
308 1 25 HIS HB2 1 25 HIS HD2 3.265 . 4.597 3.290 2.871 3.973 . 0 0 "[ . 1]" 1
309 1 16 ARG HB2 1 23 GLU H 3.269 . 4.605 3.411 2.584 4.657 0.052 7 0 "[ . 1]" 1
310 1 10 ARG HB2 1 10 ARG HD3 3.274 . 4.614 2.932 2.850 3.018 . 0 0 "[ . 1]" 1
311 1 3 LYS HG2 1 7 LEU QD 3.279 . 4.623 3.510 2.216 4.743 0.120 3 0 "[ . 1]" 1
312 1 22 TYR QD 1 23 GLU H 3.279 . 4.623 4.353 4.042 4.624 0.001 1 0 "[ . 1]" 1
313 1 17 CYS HB3 1 22 TYR QE 3.284 . 4.632 2.798 2.314 3.075 . 0 0 "[ . 1]" 1
314 1 17 CYS HB2 1 18 ASP H 3.289 . 4.641 4.328 4.249 4.445 . 0 0 "[ . 1]" 1
315 1 9 LYS H 1 9 LYS HG3 3.294 . 4.650 3.947 2.347 4.517 . 0 0 "[ . 1]" 1
316 1 2 ASP HB2 1 5 LYS QB 3.294 . 4.650 3.869 2.602 4.774 0.124 3 0 "[ . 1]" 1
317 1 22 TYR HB3 1 22 TYR QE 3.299 . 4.659 4.410 4.399 4.422 . 0 0 "[ . 1]" 1
318 1 15 VAL HA 1 24 VAL QG 3.304 . 4.668 3.273 2.953 3.555 . 0 0 "[ . 1]" 1
319 1 3 LYS H 1 3 LYS HG3 3.309 . 4.678 3.787 2.372 4.501 . 0 0 "[ . 1]" 1
320 1 15 VAL QG 1 23 GLU H 3.309 . 4.678 3.925 3.309 4.813 0.135 7 0 "[ . 1]" 1
321 1 15 VAL QG 1 22 TYR HB2 3.309 . 4.678 4.069 3.572 4.840 0.162 3 0 "[ . 1]" 1
322 1 11 TYR HB2 1 13 CYS H 3.314 . 4.687 4.279 4.059 4.678 . 0 0 "[ . 1]" 1
323 1 21 ARG HE 1 21 ARG QG 3.314 . 4.687 2.500 2.255 2.949 . 0 0 "[ . 1]" 1
324 1 19 DPR HB3 1 19 DPR HD3 3.319 . 4.696 3.621 2.974 4.044 . 0 0 "[ . 1]" 1
325 1 14 GLU HA 1 14 GLU HG3 3.319 . 4.696 3.140 2.552 3.750 . 0 0 "[ . 1]" 1
326 1 3 LYS QB 1 22 TYR QE 3.319 . 4.696 3.579 2.960 4.063 . 0 0 "[ . 1]" 1
327 1 12 ORN HD2 1 13 CYS H 3.325 . 4.707 4.182 4.076 4.288 . 0 0 "[ . 1]" 1
328 1 7 LEU HB2 1 11 TYR QD 3.325 . 4.707 4.290 4.163 4.422 . 0 0 "[ . 1]" 1
329 1 21 ARG QB 1 21 ARG HE 3.330 . 4.716 3.124 1.972 4.043 . 0 0 "[ . 1]" 1
330 1 19 DPR HA 1 20 PRO HG3 3.350 . 4.753 4.335 4.316 4.356 . 0 0 "[ . 1]" 1
331 1 18 ASP HB3 1 21 ARG H 3.350 . 4.753 3.962 3.721 4.566 . 0 0 "[ . 1]" 1
332 1 10 ARG HB3 1 11 TYR QE 3.354 . 4.760 3.726 3.634 3.865 . 0 0 "[ . 1]" 1
333 1 18 ASP H 1 19 DPR HD2 3.362 . 4.775 3.692 3.443 4.084 . 0 0 "[ . 1]" 1
334 1 2 ASP HB3 1 5 LYS QB 3.362 . 4.775 4.009 2.642 4.987 0.212 3 0 "[ . 1]" 1
335 1 13 CYS H 1 14 GLU H 3.362 . 4.775 4.592 4.550 4.622 . 0 0 "[ . 1]" 1
336 1 6 GLU HA 1 6 GLU HG3 3.368 . 4.786 3.489 3.011 3.737 . 0 0 "[ . 1]" 1
337 1 16 ARG HA 1 17 CYS HB2 3.373 . 4.795 4.588 4.546 4.623 . 0 0 "[ . 1]" 1
338 1 14 GLU HA 1 15 VAL QG 3.377 . 4.802 3.552 3.290 3.883 . 0 0 "[ . 1]" 1
339 1 17 CYS HA 1 22 TYR QD 3.397 . 4.839 2.662 2.216 2.919 . 0 0 "[ . 1]" 1
340 1 10 ARG HD2 1 11 TYR QE 3.404 . 4.852 4.438 4.260 4.662 . 0 0 "[ . 1]" 1
341 1 7 LEU HA 1 11 TYR QE 3.415 . 4.872 3.506 3.308 3.739 . 0 0 "[ . 1]" 1
342 1 20 PRO HD2 1 21 ARG H 3.418 . 4.879 2.693 2.557 2.822 . 0 0 "[ . 1]" 1
343 1 10 ARG HE 1 10 ARG HG3 3.422 . 4.885 2.762 2.635 2.909 . 0 0 "[ . 1]" 1
344 1 4 CYS QB 1 22 TYR QD 3.422 . 4.885 4.407 3.885 4.898 0.013 3 0 "[ . 1]" 1
345 1 10 ARG H 1 10 ARG HG3 3.424 . 4.890 4.481 4.451 4.512 . 0 0 "[ . 1]" 1
346 1 4 CYS HA 1 22 TYR QD 3.436 . 4.911 3.636 3.337 4.089 . 0 0 "[ . 1]" 1
347 1 19 DPR HB3 1 19 DPR HD2 3.438 . 4.916 3.904 3.890 3.923 . 0 0 "[ . 1]" 1
348 1 19 DPR HB3 1 20 PRO HD3 3.442 . 4.923 3.513 3.312 3.772 . 0 0 "[ . 1]" 1
349 1 10 ARG HE 1 11 TYR QE 3.448 . 4.934 4.024 3.588 4.428 . 0 0 "[ . 1]" 1
350 1 10 ARG HE 1 10 ARG HG2 3.452 . 4.941 2.402 2.327 2.484 . 0 0 "[ . 1]" 1
351 1 20 PRO HA 1 22 TYR QE 3.455 . 4.947 3.588 3.191 4.002 . 0 0 "[ . 1]" 1
352 1 11 TYR HB3 1 11 TYR QE 3.465 . 4.965 4.416 4.397 4.428 . 0 0 "[ . 1]" 1
353 1 15 VAL QG 1 25 HIS H 3.470 . 4.975 3.802 3.548 4.145 . 0 0 "[ . 1]" 1
354 1 3 LYS QE 1 7 LEU QD 3.472 . 4.979 4.020 2.013 5.655 0.676 3 2 "[ + . - 1]" 1
355 1 14 GLU HG2 1 15 VAL H 3.475 . 4.984 4.431 3.370 5.079 0.095 6 0 "[ . 1]" 1
356 1 24 VAL H 1 25 HIS H 3.479 . 4.992 4.233 4.034 4.458 . 0 0 "[ . 1]" 1
357 1 10 ARG HB2 1 11 TYR QD 3.480 . 4.994 4.521 4.382 4.623 . 0 0 "[ . 1]" 1
358 1 14 GLU HG3 1 15 VAL H 3.483 . 5.000 4.858 3.208 5.344 0.344 6 0 "[ . 1]" 1
359 1 10 ARG HA 1 10 ARG HD3 3.492 . 5.016 4.663 4.635 4.685 . 0 0 "[ . 1]" 1
360 1 13 CYS HB3 1 15 VAL QG 3.494 . 5.020 4.221 3.796 4.569 . 0 0 "[ . 1]" 1
361 1 20 PRO HB2 1 21 ARG H 3.502 . 5.035 3.955 3.819 4.062 . 0 0 "[ . 1]" 1
362 1 11 TYR H 1 15 VAL QG 3.515 . 5.060 3.776 3.571 3.987 . 0 0 "[ . 1]" 1
363 1 15 VAL HB 1 24 VAL QG 3.515 . 5.060 3.798 2.099 4.496 . 0 0 "[ . 1]" 1
364 1 20 PRO HA 1 20 PRO HD2 3.516 . 5.061 4.083 4.068 4.090 . 0 0 "[ . 1]" 1
365 1 10 ARG HD3 1 11 TYR QE 3.530 . 5.087 2.777 2.640 2.982 . 0 0 "[ . 1]" 1
366 1 1 ASN HB2 1 2 ASP H 3.533 . 5.093 4.216 3.924 4.474 . 0 0 "[ . 1]" 1
367 1 4 CYS H 1 5 LYS QB 3.537 . 5.101 4.510 4.257 4.778 . 0 0 "[ . 1]" 1
368 1 2 ASP HB3 1 3 LYS H 3.542 . 5.110 4.062 2.881 4.478 . 0 0 "[ . 1]" 1
369 1 15 VAL H 1 16 ARG H 3.554 . 5.133 4.387 4.165 4.547 . 0 0 "[ . 1]" 1
370 1 7 LEU QD 1 10 ARG HD2 3.557 . 5.139 3.767 3.388 4.189 . 0 0 "[ . 1]" 1
371 1 18 ASP H 1 22 TYR QD 3.575 . 5.172 4.296 4.025 4.498 . 0 0 "[ . 1]" 1
372 1 3 LYS H 1 3 LYS HG2 3.576 . 5.174 4.190 3.291 4.618 . 0 0 "[ . 1]" 1
373 1 8 LYS HA 1 11 TYR QD 3.593 . 5.206 4.176 3.953 4.475 . 0 0 "[ . 1]" 1
374 1 20 PRO HG3 1 21 ARG H 3.600 . 5.220 4.462 4.283 4.559 . 0 0 "[ . 1]" 1
375 1 18 ASP H 1 22 TYR H 3.607 . 5.233 4.754 4.641 4.874 . 0 0 "[ . 1]" 1
376 1 25 HIS HA 1 25 HIS HD2 3.613 . 5.245 3.494 2.710 4.170 . 0 0 "[ . 1]" 1
377 1 20 PRO HA 1 20 PRO HD3 3.615 . 5.249 3.751 3.697 3.830 . 0 0 "[ . 1]" 1
378 1 10 ARG HG2 1 11 TYR QE 3.615 . 5.249 3.963 3.710 4.187 . 0 0 "[ . 1]" 1
379 1 4 CYS H 1 22 TYR QE 3.625 . 5.267 3.853 3.331 4.475 . 0 0 "[ . 1]" 1
380 1 16 ARG HB2 1 16 ARG HE 3.625 . 5.267 3.754 2.109 4.581 . 0 0 "[ . 1]" 1
381 1 8 LYS QG 1 15 VAL H 3.630 . 5.277 3.570 3.042 4.345 . 0 0 "[ . 1]" 1
382 1 5 LYS H 1 5 LYS HG2 3.630 . 5.277 3.993 3.390 4.434 . 0 0 "[ . 1]" 1
383 1 10 ARG HG2 1 11 TYR QD 3.639 . 5.294 3.650 3.345 3.796 . 0 0 "[ . 1]" 1
384 1 19 DPR HA 1 19 DPR HD2 3.647 . 5.309 3.988 3.924 4.081 . 0 0 "[ . 1]" 1
385 1 10 ARG H 1 10 ARG HG2 3.648 . 5.311 4.395 4.372 4.420 . 0 0 "[ . 1]" 1
386 1 17 CYS HB3 1 22 TYR QD 3.648 . 5.311 3.475 3.246 3.725 . 0 0 "[ . 1]" 1
387 1 3 LYS QD 1 22 TYR QE 3.652 . 5.319 4.022 2.676 4.979 . 0 0 "[ . 1]" 1
388 1 17 CYS HA 1 22 TYR HB2 3.654 . 5.323 5.114 5.012 5.212 . 0 0 "[ . 1]" 1
389 1 16 ARG HE 1 16 ARG HG3 3.669 . 5.351 3.113 2.589 3.713 . 0 0 "[ . 1]" 1
390 1 16 ARG H 1 25 HIS H 3.675 . 5.363 3.986 3.716 4.516 . 0 0 "[ . 1]" 1
391 1 4 CYS HA 1 15 VAL QG 3.675 . 5.363 3.233 2.711 3.889 . 0 0 "[ . 1]" 1
392 1 2 ASP HA 1 4 CYS H 3.676 . 5.365 3.940 3.511 4.284 . 0 0 "[ . 1]" 1
393 1 13 CYS HA 1 14 GLU QB 3.676 . 5.365 4.313 3.926 4.537 . 0 0 "[ . 1]" 1
394 1 5 LYS H 1 5 LYS QD 3.679 . 5.371 4.152 3.828 4.631 . 0 0 "[ . 1]" 1
395 1 17 CYS HA 1 22 TYR HB3 3.685 . 5.382 4.091 3.917 4.226 . 0 0 "[ . 1]" 1
396 1 2 ASP HA 1 5 LYS H 3.688 . 5.388 3.128 2.929 3.484 . 0 0 "[ . 1]" 1
397 1 4 CYS H 1 6 GLU H 3.693 . 5.397 4.098 4.011 4.285 . 0 0 "[ . 1]" 1
398 1 5 LYS HA 1 9 LYS H 3.695 . 5.401 3.965 3.796 4.085 . 0 0 "[ . 1]" 1
399 1 16 ARG HE 1 16 ARG HG2 3.697 . 5.405 2.829 2.316 3.715 . 0 0 "[ . 1]" 1
400 1 3 LYS HA 1 5 LYS H 3.709 . 5.429 4.210 4.004 4.379 . 0 0 "[ . 1]" 1
401 1 16 ARG H 1 24 VAL QG 3.755 . 5.517 4.308 4.051 4.493 . 0 0 "[ . 1]" 1
402 1 7 LEU QD 1 10 ARG HD3 3.757 . 5.522 2.794 2.089 3.080 . 0 0 "[ . 1]" 1
403 1 22 TYR H 1 23 GLU H 3.760 . 5.527 4.111 3.757 4.336 . 0 0 "[ . 1]" 1
404 1 13 CYS HB3 1 14 GLU QB 3.762 . 5.532 4.778 4.615 5.085 . 0 0 "[ . 1]" 1
405 1 22 TYR HB3 1 24 VAL QG 3.778 . 5.562 3.888 3.447 4.505 . 0 0 "[ . 1]" 1
406 1 15 VAL QG 1 22 TYR QE 3.783 . 5.572 4.388 4.034 4.654 . 0 0 "[ . 1]" 1
407 1 21 ARG QB 1 22 TYR QD 3.786 . 5.578 4.856 4.681 5.097 . 0 0 "[ . 1]" 1
408 1 9 LYS H 1 9 LYS HG2 3.788 . 5.582 4.100 2.663 4.620 . 0 0 "[ . 1]" 1
409 1 10 ARG H 1 11 TYR HA 3.805 . 5.614 5.305 5.226 5.345 . 0 0 "[ . 1]" 1
410 1 17 CYS HB2 1 22 TYR QE 3.809 . 5.622 4.221 3.990 4.376 . 0 0 "[ . 1]" 1
411 1 14 GLU H 1 14 GLU HG2 3.813 . 5.630 3.633 2.553 4.403 . 0 0 "[ . 1]" 1
412 1 23 GLU H 1 24 VAL QG 3.823 . 5.650 4.509 4.197 4.716 . 0 0 "[ . 1]" 1
413 1 14 GLU H 1 25 HIS HB2 3.824 . 5.652 4.455 3.399 5.322 . 0 0 "[ . 1]" 1
414 1 22 TYR HB2 1 24 VAL QG 3.826 . 5.655 4.164 3.602 4.938 . 0 0 "[ . 1]" 1
415 1 21 ARG H 1 22 TYR H 3.831 . 5.666 4.488 4.347 4.524 . 0 0 "[ . 1]" 1
416 1 8 LYS H 1 9 LYS HA 3.875 . 5.752 5.290 5.215 5.387 . 0 0 "[ . 1]" 1
417 1 1 ASN HB2 1 1 ASN HD21 3.879 . 5.760 2.936 2.224 3.528 . 0 0 "[ . 1]" 1
418 1 22 TYR HA 1 22 TYR QE 3.890 . 5.782 4.670 4.623 4.704 . 0 0 "[ . 1]" 1
419 1 10 ARG H 1 11 TYR QD 3.907 . 5.815 4.255 4.150 4.329 . 0 0 "[ . 1]" 1
420 1 3 LYS HA 1 6 GLU HG2 3.917 . 5.835 3.880 3.324 4.567 . 0 0 "[ . 1]" 1
421 1 21 ARG HA 1 22 TYR QE 3.917 . 5.835 4.684 4.392 5.192 . 0 0 "[ . 1]" 1
422 1 17 CYS HB2 1 22 TYR QD 3.937 . 5.875 4.427 4.268 4.565 . 0 0 "[ . 1]" 1
423 1 21 ARG H 1 21 ARG QD 3.948 . 5.896 4.227 3.697 4.560 . 0 0 "[ . 1]" 1
424 1 5 LYS HA 1 8 LYS QG 3.958 . 5.917 4.369 4.049 4.699 . 0 0 "[ . 1]" 1
425 1 2 ASP HB3 1 5 LYS H 3.968 . 5.936 5.044 4.075 5.653 . 0 0 "[ . 1]" 1
426 1 10 ARG HG2 1 11 TYR H 3.969 . 5.939 3.513 3.376 3.737 . 0 0 "[ . 1]" 1
427 1 4 CYS HA 1 6 GLU H 3.981 . 5.962 4.472 4.348 4.579 . 0 0 "[ . 1]" 1
428 1 6 GLU HG2 1 7 LEU H 4.002 . 6.004 4.610 4.262 4.961 . 0 0 "[ . 1]" 1
429 1 1 ASN HB3 1 1 ASN HD21 4.006 . 6.012 2.751 2.214 3.474 . 0 0 "[ . 1]" 1
430 1 22 TYR H 1 22 TYR QE 4.034 . 6.068 4.918 4.836 5.023 . 0 0 "[ . 1]" 1
431 1 11 TYR H 1 11 TYR QE 4.050 . 6.101 4.636 4.520 4.862 . 0 0 "[ . 1]" 1
432 1 11 TYR QD 1 13 CYS HB3 4.063 . 6.127 4.655 4.403 4.856 . 0 0 "[ . 1]" 1
433 1 20 PRO HB3 1 21 ARG H 4.072 . 6.145 4.460 4.387 4.496 . 0 0 "[ . 1]" 1
434 1 11 TYR QD 1 13 CYS H 4.173 . 6.350 5.255 5.094 5.463 . 0 0 "[ . 1]" 1
435 1 3 LYS H 1 5 LYS H 4.225 . 6.456 4.081 3.848 4.267 . 0 0 "[ . 1]" 1
436 1 18 ASP H 1 22 TYR QE 4.228 . 6.462 4.975 4.620 5.212 . 0 0 "[ . 1]" 1
437 1 18 ASP H 1 19 DPR HA 4.354 . 6.724 5.311 5.216 5.402 . 0 0 "[ . 1]" 1
438 1 10 ARG HG3 1 11 TYR QD 4.398 . 6.816 5.017 4.812 5.122 . 0 0 "[ . 1]" 1
439 1 3 LYS H 1 6 GLU HG3 5.152 . 8.470 5.163 4.467 5.811 . 0 0 "[ . 1]" 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 24
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 3.251
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0232
_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 2 ASP 0.020 0.015 5 0 "[ . 1]"
1 3 LYS 0.035 0.035 9 0 "[ . 1]"
1 4 CYS 0.008 0.008 10 0 "[ . 1]"
1 5 LYS 0.000 0.000 . 0 "[ . 1]"
1 6 GLU 0.020 0.015 5 0 "[ . 1]"
1 7 LEU 0.035 0.035 9 0 "[ . 1]"
1 8 LYS 0.008 0.008 10 0 "[ . 1]"
1 9 LYS 0.000 0.000 . 0 "[ . 1]"
1 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 11 TYR 0.000 0.000 . 0 "[ . 1]"
1 13 CYS 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 0.145 0.114 1 0 "[ . 1]"
1 16 ARG 0.056 0.038 8 0 "[ . 1]"
1 18 ASP 0.060 0.027 7 0 "[ . 1]"
1 21 ARG 0.060 0.027 7 0 "[ . 1]"
1 23 GLU 0.056 0.038 8 0 "[ . 1]"
1 25 HIS 0.145 0.114 1 0 "[ . 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 2 ASP O 1 6 GLU H 1.900 . 2.000 1.949 1.880 2.015 0.015 5 0 "[ . 1]" 2
2 1 2 ASP O 1 6 GLU N 2.900 2.700 3.100 2.871 2.774 2.917 . 0 0 "[ . 1]" 2
3 1 3 LYS O 1 7 LEU H 1.900 . 2.000 1.909 1.845 2.035 0.035 9 0 "[ . 1]" 2
4 1 3 LYS O 1 7 LEU N 2.900 2.700 3.100 2.863 2.783 3.006 . 0 0 "[ . 1]" 2
5 1 4 CYS O 1 8 LYS H 1.900 . 2.000 1.950 1.908 2.008 0.008 10 0 "[ . 1]" 2
6 1 4 CYS O 1 8 LYS N 2.900 2.700 3.100 2.857 2.787 2.918 . 0 0 "[ . 1]" 2
7 1 5 LYS O 1 9 LYS H 1.900 . 2.000 1.940 1.906 2.000 . 0 0 "[ . 1]" 2
8 1 5 LYS O 1 9 LYS N 2.900 2.700 3.100 2.836 2.801 2.900 . 0 0 "[ . 1]" 2
9 1 6 GLU O 1 10 ARG H 1.900 . 2.000 1.951 1.905 1.981 . 0 0 "[ . 1]" 2
10 1 6 GLU O 1 10 ARG N 2.900 2.700 3.100 2.845 2.781 2.902 . 0 0 "[ . 1]" 2
11 1 11 TYR O 1 13 CYS H 1.900 . 2.000 1.904 1.856 1.969 . 0 0 "[ . 1]" 2
12 1 11 TYR O 1 13 CYS N 2.900 2.700 3.100 2.863 2.791 2.891 . 0 0 "[ . 1]" 2
13 1 18 ASP O 1 21 ARG H 1.900 . 2.000 2.000 1.964 2.027 0.027 7 0 "[ . 1]" 2
14 1 18 ASP O 1 21 ARG N 2.900 2.700 3.100 2.918 2.871 2.950 . 0 0 "[ . 1]" 2
15 1 18 ASP H 1 21 ARG O 1.900 . 2.000 1.850 1.817 1.901 . 0 0 "[ . 1]" 2
16 1 18 ASP N 1 21 ARG O 2.900 2.700 3.100 2.783 2.766 2.817 . 0 0 "[ . 1]" 2
17 1 16 ARG O 1 23 GLU H 1.900 . 2.000 1.910 1.846 2.013 0.013 4 0 "[ . 1]" 2
18 1 16 ARG O 1 23 GLU N 2.900 2.700 3.100 2.850 2.787 2.893 . 0 0 "[ . 1]" 2
19 1 16 ARG H 1 23 GLU O 1.900 . 2.000 1.830 1.762 1.892 0.038 8 0 "[ . 1]" 2
20 1 16 ARG N 1 23 GLU O 2.900 2.700 3.100 2.785 2.719 2.844 . 0 0 "[ . 1]" 2
21 1 14 GLU O 1 25 HIS H 1.900 . 2.000 1.872 1.823 1.940 . 0 0 "[ . 1]" 2
22 1 14 GLU O 1 25 HIS N 2.900 2.700 3.100 2.799 2.758 2.861 . 0 0 "[ . 1]" 2
23 1 14 GLU H 1 25 HIS O 1.900 . 2.000 1.930 1.862 2.114 0.114 1 0 "[ . 1]" 2
24 1 14 GLU N 1 25 HIS O 2.900 2.700 3.100 2.831 2.778 2.921 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 7:07:45 AM GMT (wattos1)