NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434616 |
2jxd   |
15555 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jxd
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 88
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 294.717
_Distance_constraint_stats_list.Viol_max 0.307
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.0767
_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 3 PHE 0.152 0.031 2 0 "[ . 1 .]"
1 5 LEU 1.430 0.175 13 0 "[ . 1 .]"
1 6 PHE 0.653 0.114 11 0 "[ . 1 .]"
1 7 SER 0.102 0.021 7 0 "[ . 1 .]"
1 8 LYS 0.092 0.039 1 0 "[ . 1 .]"
1 9 TYR 0.487 0.058 14 0 "[ . 1 .]"
1 10 ARG 0.591 0.157 1 0 "[ . 1 .]"
1 11 THR 2.146 0.277 4 0 "[ . 1 .]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 14 CYS 0.920 0.205 15 0 "[ . 1 .]"
1 15 SER 0.000 0.000 . 0 "[ . 1 .]"
1 16 GLN 2.814 0.213 15 0 "[ . 1 .]"
1 17 TYR 2.981 0.213 15 0 "[ . 1 .]"
1 18 ARG 0.016 0.016 2 0 "[ . 1 .]"
1 19 LEU 0.583 0.185 2 0 "[ . 1 .]"
1 20 PRO 0.275 0.064 12 0 "[ . 1 .]"
1 21 GLY 0.170 0.098 12 0 "[ . 1 .]"
1 22 CYS 0.315 0.170 13 0 "[ . 1 .]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 27 ASN 3.506 0.307 14 0 "[ . 1 .]"
1 28 PRO 0.529 0.060 4 0 "[ . 1 .]"
1 29 VAL 0.529 0.060 4 0 "[ . 1 .]"
1 30 CYS 0.296 0.074 6 0 "[ . 1 .]"
1 32 SER 0.948 0.189 7 0 "[ . 1 .]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 41 CYS 0.216 0.170 13 0 "[ . 1 .]"
1 43 LEU 0.154 0.039 6 0 "[ . 1 .]"
1 44 CYS 3.883 0.280 13 0 "[ . 1 .]"
1 46 LYS 1.512 0.210 4 0 "[ . 1 .]"
1 47 ILE 3.530 0.280 13 0 "[ . 1 .]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 54 ILE 2.826 0.277 4 0 "[ . 1 .]"
1 55 LYS 1.253 0.189 7 0 "[ . 1 .]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 57 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 58 ARG 0.296 0.074 6 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 3 PHE HA 1 3 PHE QD 2.000 . 2.500 2.483 2.296 2.531 0.031 2 0 "[ . 1 .]" 1
2 1 3 PHE QB 1 3 PHE QD 2.000 . 2.500 2.125 2.092 2.147 . 0 0 "[ . 1 .]" 1
3 1 5 LEU QB 1 5 LEU HG 2.000 . 2.500 2.337 2.253 2.380 . 0 0 "[ . 1 .]" 1
4 1 6 PHE HA 1 6 PHE QB 2.000 . 2.500 2.336 2.166 2.433 . 0 0 "[ . 1 .]" 1
5 1 6 PHE QB 1 6 PHE QD 2.000 . 2.500 2.126 2.108 2.141 . 0 0 "[ . 1 .]" 1
6 1 10 ARG QB 1 10 ARG QD 2.000 . 2.500 2.383 2.165 2.500 0.000 15 0 "[ . 1 .]" 1
7 1 10 ARG QD 1 10 ARG QG 2.000 . 2.500 2.012 1.958 2.090 . 0 0 "[ . 1 .]" 1
8 1 12 PRO HA 1 12 PRO QB 2.000 . 2.500 2.194 2.181 2.229 . 0 0 "[ . 1 .]" 1
9 1 14 CYS H 1 14 CYS QB 2.000 . 2.500 2.433 2.214 2.565 0.065 15 0 "[ . 1 .]" 1
10 1 16 GLN HA 1 17 TYR H 2.000 . 2.500 2.509 2.099 2.713 0.213 15 0 "[ . 1 .]" 1
11 1 17 TYR HA 1 17 TYR QB 2.000 . 2.500 2.426 2.365 2.477 . 0 0 "[ . 1 .]" 1
12 1 19 LEU QD 1 19 LEU HG 2.000 . 2.500 1.900 1.882 1.925 . 0 0 "[ . 1 .]" 1
13 1 20 PRO QB 1 20 PRO QG 2.000 . 2.500 1.965 1.934 1.977 . 0 0 "[ . 1 .]" 1
14 1 21 GLY QA 1 22 CYS H 2.000 . 2.500 2.215 2.026 2.598 0.098 12 0 "[ . 1 .]" 1
15 1 23 PRO HA 1 23 PRO QB 2.000 . 2.500 2.198 2.147 2.271 . 0 0 "[ . 1 .]" 1
16 1 26 PHE HA 1 26 PHE QB 2.000 . 2.500 2.192 2.162 2.212 . 0 0 "[ . 1 .]" 1
17 1 27 ASN H 1 27 ASN HA 2.000 . 2.500 2.734 2.513 2.807 0.307 14 0 "[ . 1 .]" 1
18 1 28 PRO QB 1 29 VAL H 2.000 . 2.500 2.535 2.505 2.560 0.060 4 0 "[ . 1 .]" 1
19 1 29 VAL H 1 29 VAL HB 3.000 2.500 4.500 3.765 3.737 3.783 . 0 0 "[ . 1 .]" 1
20 1 30 CYS QB 1 58 ARG H 2.000 . 2.500 1.802 1.726 2.003 0.074 6 0 "[ . 1 .]" 1
21 1 32 SER HA 1 55 LYS H 4.500 3.000 6.000 6.055 5.872 6.189 0.189 7 0 "[ . 1 .]" 1
22 1 37 TYR HA 1 38 ALA MB 4.500 3.000 6.000 4.210 4.055 4.343 . 0 0 "[ . 1 .]" 1
23 1 43 LEU QB 1 43 LEU HG 2.000 . 2.500 2.379 2.330 2.438 . 0 0 "[ . 1 .]" 1
24 1 43 LEU QB 1 43 LEU QD 2.000 . 2.500 1.798 1.781 1.820 0.019 11 0 "[ . 1 .]" 1
25 1 44 CYS HA 1 47 ILE H 2.000 . 2.500 2.731 2.655 2.780 0.280 13 0 "[ . 1 .]" 1
26 1 46 LYS QG 1 54 ILE QG 2.000 . 2.500 2.601 2.504 2.710 0.210 4 0 "[ . 1 .]" 1
27 1 47 ILE HA 1 47 ILE HB 2.000 . 2.500 2.492 2.451 2.522 0.022 14 0 "[ . 1 .]" 1
28 1 47 ILE H 1 47 ILE HB 2.000 . 2.500 2.386 2.319 2.483 . 0 0 "[ . 1 .]" 1
29 1 49 GLU QB 1 49 GLU QG 2.000 . 2.500 2.058 2.005 2.096 . 0 0 "[ . 1 .]" 1
30 1 43 LEU QD 1 54 ILE HB 2.000 . 2.500 2.359 1.968 2.539 0.039 6 0 "[ . 1 .]" 1
31 1 54 ILE HB 1 54 ILE QG 2.000 . 2.500 2.288 2.234 2.381 . 0 0 "[ . 1 .]" 1
32 1 43 LEU QD 1 54 ILE QG 2.000 . 2.500 2.224 1.969 2.426 0.031 3 0 "[ . 1 .]" 1
33 1 54 ILE QG 1 55 LYS QG 4.500 3.000 6.000 5.463 4.670 5.950 . 0 0 "[ . 1 .]" 1
34 1 56 ILE HA 1 57 ILE H 2.000 . 2.500 2.304 2.176 2.486 . 0 0 "[ . 1 .]" 1
35 1 57 ILE HB 1 57 ILE QG 2.000 . 2.500 2.274 2.218 2.341 . 0 0 "[ . 1 .]" 1
36 1 58 ARG QD 1 58 ARG QG 2.000 . 2.500 2.017 1.995 2.050 . 0 0 "[ . 1 .]" 1
37 1 5 LEU HA 1 5 LEU HG 2.500 . 3.500 3.017 2.220 3.675 0.175 13 0 "[ . 1 .]" 1
38 1 5 LEU HA 1 6 PHE H 2.500 . 3.500 2.749 1.962 3.482 . 0 0 "[ . 1 .]" 1
39 1 5 LEU HG 1 6 PHE H 2.500 . 3.500 3.362 1.757 3.614 0.114 11 0 "[ . 1 .]" 1
40 1 6 PHE HA 1 7 SER H 2.500 . 3.500 2.947 2.041 3.520 0.020 8 0 "[ . 1 .]" 1
41 1 6 PHE H 1 6 PHE QB 2.500 . 3.500 2.827 2.230 3.446 . 0 0 "[ . 1 .]" 1
42 1 7 SER HA 1 7 SER QB 2.500 . 3.500 2.333 2.185 2.417 . 0 0 "[ . 1 .]" 1
43 1 7 SER HA 1 8 LYS H 2.500 . 3.500 2.829 2.167 3.521 0.021 7 0 "[ . 1 .]" 1
44 1 8 LYS HA 1 8 LYS QB 2.500 . 3.500 2.234 2.153 2.388 . 0 0 "[ . 1 .]" 1
45 1 8 LYS H 1 8 LYS HA 2.500 . 3.500 2.732 2.149 2.952 . 0 0 "[ . 1 .]" 1
46 1 8 LYS HA 1 9 TYR H 2.500 . 3.500 2.653 2.017 3.539 0.039 1 0 "[ . 1 .]" 1
47 1 9 TYR HA 1 9 TYR QB 2.500 2.500 3.500 2.498 2.469 2.532 0.031 11 0 "[ . 1 .]" 1
48 1 9 TYR HA 1 9 TYR QD 2.500 . 3.500 1.929 1.797 2.085 0.003 10 0 "[ . 1 .]" 1
49 1 9 TYR HA 1 10 ARG H 2.500 . 3.500 2.914 2.501 3.129 . 0 0 "[ . 1 .]" 1
50 1 9 TYR QB 1 9 TYR QD 2.500 . 3.500 2.265 2.105 2.356 . 0 0 "[ . 1 .]" 1
51 1 9 TYR QB 1 55 LYS QB 2.500 . 3.500 1.995 1.942 2.078 0.058 14 0 "[ . 1 .]" 1
52 1 9 TYR QB 1 55 LYS QG 2.500 . 3.500 2.447 2.003 3.445 . 0 0 "[ . 1 .]" 1
53 1 10 ARG HA 1 11 THR H 2.500 . 3.500 2.121 2.010 2.421 . 0 0 "[ . 1 .]" 1
54 1 10 ARG H 1 10 ARG QB 2.500 . 3.500 2.701 2.005 3.147 . 0 0 "[ . 1 .]" 1
55 1 10 ARG QB 1 11 THR H 2.500 . 3.500 3.214 2.359 3.657 0.157 1 0 "[ . 1 .]" 1
56 1 11 THR HA 1 11 THR HB 2.500 . 3.500 2.530 2.399 3.036 . 0 0 "[ . 1 .]" 1
57 1 11 THR HA 1 54 ILE HA 4.500 3.000 6.000 6.071 5.857 6.277 0.277 4 0 "[ . 1 .]" 1
58 1 11 THR H 1 11 THR HB 2.500 . 3.500 3.242 2.440 3.591 0.091 8 0 "[ . 1 .]" 1
59 1 12 PRO HA 1 13 ASN H 2.500 . 3.500 2.226 2.093 2.433 . 0 0 "[ . 1 .]" 1
60 1 13 ASN HA 1 13 ASN QB 2.500 . 3.500 2.357 2.276 2.385 . 0 0 "[ . 1 .]" 1
61 1 13 ASN H 1 13 ASN HA 2.500 . 3.500 2.940 2.906 2.984 . 0 0 "[ . 1 .]" 1
62 1 13 ASN HA 1 14 CYS H 2.500 . 3.500 2.210 2.040 3.304 . 0 0 "[ . 1 .]" 1
63 1 14 CYS HA 1 17 TYR QD 2.500 . 3.500 3.057 1.964 3.550 0.050 4 0 "[ . 1 .]" 1
64 1 14 CYS QB 1 44 CYS QB 2.500 . 3.500 3.124 1.814 3.705 0.205 15 0 "[ . 1 .]" 1
65 1 15 SER HA 1 15 SER QB 2.500 . 3.500 2.319 2.175 2.431 . 0 0 "[ . 1 .]" 1
66 1 15 SER H 1 15 SER QB 2.500 . 3.500 2.651 2.441 3.413 . 0 0 "[ . 1 .]" 1
67 1 16 GLN HA 1 16 GLN QB 2.500 . 3.500 2.210 2.129 2.393 . 0 0 "[ . 1 .]" 1
68 1 16 GLN QG 1 17 TYR QE 2.500 . 3.500 3.282 2.747 3.706 0.206 10 0 "[ . 1 .]" 1
69 1 16 GLN QG 1 17 TYR H 2.500 . 3.500 3.365 1.900 3.640 0.140 9 0 "[ . 1 .]" 1
70 1 17 TYR HA 1 17 TYR QD 2.500 . 3.500 2.070 1.840 2.548 . 0 0 "[ . 1 .]" 1
71 1 17 TYR HA 1 18 ARG H 2.500 . 3.500 2.340 2.091 3.516 0.016 2 0 "[ . 1 .]" 1
72 1 17 TYR QB 1 17 TYR QD 2.500 . 3.500 2.189 2.120 2.313 . 0 0 "[ . 1 .]" 1
73 1 17 TYR H 1 17 TYR QB 2.500 . 3.500 2.907 2.312 3.456 . 0 0 "[ . 1 .]" 1
74 1 18 ARG HA 1 18 ARG HB2 2.500 . 3.500 2.795 2.518 3.038 . 0 0 "[ . 1 .]" 1
75 1 18 ARG HA 1 18 ARG QG 2.500 . 3.500 2.510 2.277 2.664 . 0 0 "[ . 1 .]" 1
76 1 18 ARG H 1 18 ARG HA 2.500 . 3.500 2.845 2.221 2.932 . 0 0 "[ . 1 .]" 1
77 1 18 ARG HA 1 19 LEU H 2.500 . 3.500 2.540 2.049 3.462 . 0 0 "[ . 1 .]" 1
78 1 19 LEU HA 1 19 LEU HG 2.500 . 3.500 2.762 2.361 3.685 0.185 2 0 "[ . 1 .]" 1
79 1 19 LEU H 1 19 LEU QB 2.500 . 3.500 2.512 2.156 3.413 . 0 0 "[ . 1 .]" 1
80 1 20 PRO HA 1 20 PRO QG 2.500 . 3.500 3.476 3.015 3.520 0.020 14 0 "[ . 1 .]" 1
81 1 19 LEU HG 1 20 PRO QD 2.500 . 3.500 2.978 2.190 3.535 0.035 1 0 "[ . 1 .]" 1
82 1 20 PRO QG 1 21 GLY H 2.500 . 3.500 2.968 2.461 3.564 0.064 12 0 "[ . 1 .]" 1
83 1 21 GLY H 1 21 GLY QA 2.500 . 3.500 2.376 2.220 2.490 . 0 0 "[ . 1 .]" 1
84 1 22 CYS H 1 22 CYS QB 2.500 . 3.500 2.654 2.399 2.882 . 0 0 "[ . 1 .]" 1
85 1 22 CYS QB 1 41 CYS QB 2.500 . 3.500 3.084 2.174 3.670 0.170 13 0 "[ . 1 .]" 1
86 1 23 PRO HA 1 23 PRO QG 2.500 . 3.500 3.132 2.438 3.478 . 0 0 "[ . 1 .]" 1
87 1 23 PRO HA 1 24 ARG H 2.500 . 3.500 2.141 1.874 2.356 . 0 0 "[ . 1 .]" 1
88 1 23 PRO QB 1 23 PRO QD 2.500 . 3.500 2.651 2.460 2.814 . 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 397
_Distance_constraint_stats_list.Viol_count 1422
_Distance_constraint_stats_list.Viol_total 2573.783
_Distance_constraint_stats_list.Viol_max 2.146
_Distance_constraint_stats_list.Viol_rms 0.1122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0288
_Distance_constraint_stats_list.Viol_average_violations_only 0.1207
_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 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 3 PHE 0.921 0.231 10 0 "[ . 1 .]"
1 4 GLY 0.184 0.184 9 0 "[ . 1 .]"
1 5 LEU 2.992 0.242 3 0 "[ . 1 .]"
1 6 PHE 0.336 0.090 11 0 "[ . 1 .]"
1 7 SER 0.017 0.017 8 0 "[ . 1 .]"
1 8 LYS 0.793 0.195 6 0 "[ . 1 .]"
1 9 TYR 6.741 0.266 15 0 "[ . 1 .]"
1 10 ARG 4.580 0.266 15 0 "[ . 1 .]"
1 11 THR 1.650 0.200 14 0 "[ . 1 .]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 13 ASN 0.017 0.007 5 0 "[ . 1 .]"
1 14 CYS 0.261 0.099 6 0 "[ . 1 .]"
1 15 SER 0.086 0.039 13 0 "[ . 1 .]"
1 16 GLN 2.558 0.196 10 0 "[ . 1 .]"
1 17 TYR 2.656 0.206 1 0 "[ . 1 .]"
1 18 ARG 0.393 0.206 1 0 "[ . 1 .]"
1 19 LEU 4.100 0.228 2 0 "[ . 1 .]"
1 20 PRO 0.495 0.050 12 0 "[ . 1 .]"
1 21 GLY 0.886 0.121 7 0 "[ . 1 .]"
1 22 CYS 1.875 0.148 15 0 "[ . 1 .]"
1 23 PRO 2.294 0.240 8 0 "[ . 1 .]"
1 24 ARG 3.873 0.258 11 0 "[ . 1 .]"
1 25 HIS 1.259 0.258 11 0 "[ . 1 .]"
1 26 PHE 0.990 0.092 7 0 "[ . 1 .]"
1 27 ASN 0.831 0.137 14 0 "[ . 1 .]"
1 28 PRO 5.220 0.209 10 0 "[ . 1 .]"
1 29 VAL 7.846 0.200 10 0 "[ . 1 .]"
1 30 CYS 12.782 0.238 14 0 "[ . 1 .]"
1 31 GLY 11.671 1.980 7 2 "[- . + 1 .]"
1 32 SER 3.530 0.162 3 0 "[ . 1 .]"
1 33 ASP 1.349 0.182 12 0 "[ . 1 .]"
1 34 MET 0.506 0.116 2 0 "[ . 1 .]"
1 35 SER 1.054 0.131 2 0 "[ . 1 .]"
1 36 THR 7.773 1.980 7 2 "[- . + 1 .]"
1 37 TYR 8.342 0.225 6 0 "[ . 1 .]"
1 38 ALA 5.783 0.233 6 0 "[ . 1 .]"
1 39 ASN 7.563 0.356 7 0 "[ . 1 .]"
1 40 GLU 0.070 0.061 8 0 "[ . 1 .]"
1 41 CYS 5.509 0.304 3 0 "[ . 1 .]"
1 42 THR 3.799 0.248 8 0 "[ . 1 .]"
1 43 LEU 36.524 1.442 14 2 "[ - . 1 +.]"
1 44 CYS 2.180 0.195 5 0 "[ . 1 .]"
1 45 MET 6.682 0.209 14 0 "[ . 1 .]"
1 46 LYS 7.014 0.266 13 0 "[ . 1 .]"
1 47 ILE 18.441 1.415 3 1 "[ + . 1 .]"
1 48 ARG 0.324 0.075 9 0 "[ . 1 .]"
1 49 GLU 6.077 2.146 2 1 "[ + . 1 .]"
1 50 GLY 2.429 0.201 11 0 "[ . 1 .]"
1 51 GLY 6.103 1.415 3 1 "[ + . 1 .]"
1 52 HIS 7.875 2.146 2 1 "[ + . 1 .]"
1 53 ASN 1.902 0.180 3 0 "[ . 1 .]"
1 54 ILE 9.183 0.387 11 0 "[ . 1 .]"
1 55 LYS 2.558 0.142 2 0 "[ . 1 .]"
1 56 ILE 11.221 1.442 14 2 "[ - . 1 +.]"
1 57 ILE 10.777 0.284 4 0 "[ . 1 .]"
1 58 ARG 34.431 1.774 14 15 [*************+*]
1 59 ASN 29.350 1.774 14 15 [*************+*]
1 60 GLY 0.647 0.129 14 0 "[ . 1 .]"
1 62 CYS 0.709 0.061 14 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 24 ARG HA 1 24 ARG QB 2.500 . 3.500 2.383 2.239 2.476 . 0 0 "[ . 1 .]" 2
2 1 24 ARG H 1 24 ARG HA 2.500 . 3.500 2.604 2.131 2.909 . 0 0 "[ . 1 .]" 2
3 1 24 ARG QB 1 24 ARG QG 2.500 . 3.500 2.006 1.963 2.070 0.037 12 0 "[ . 1 .]" 2
4 1 24 ARG H 1 24 ARG QG 2.500 . 3.500 3.189 2.033 3.636 0.136 12 0 "[ . 1 .]" 2
5 1 25 HIS HA 1 25 HIS QB 2.500 . 3.500 2.379 2.176 2.493 . 0 0 "[ . 1 .]" 2
6 1 25 HIS HA 1 26 PHE H 2.500 . 3.500 2.330 2.031 3.468 . 0 0 "[ . 1 .]" 2
7 1 26 PHE H 1 26 PHE HA 2.500 . 3.500 2.830 2.676 2.931 . 0 0 "[ . 1 .]" 2
8 1 26 PHE HA 1 27 ASN H 2.500 . 3.500 2.394 2.110 2.838 . 0 0 "[ . 1 .]" 2
9 1 26 PHE QB 1 26 PHE QD 2.500 . 3.500 2.146 2.108 2.203 . 0 0 "[ . 1 .]" 2
10 1 26 PHE H 1 26 PHE QB 2.500 . 3.500 3.152 2.422 3.443 . 0 0 "[ . 1 .]" 2
11 1 27 ASN HA 1 28 PRO QD 2.500 . 3.500 2.078 1.958 2.267 . 0 0 "[ . 1 .]" 2
12 1 27 ASN QB 1 27 ASN QD 2.500 . 3.500 2.296 2.023 2.829 . 0 0 "[ . 1 .]" 2
13 1 28 PRO HA 1 28 PRO QB 2.500 . 3.500 2.187 2.145 2.213 . 0 0 "[ . 1 .]" 2
14 1 28 PRO HA 1 28 PRO QG 2.500 . 3.500 2.876 2.809 2.954 . 0 0 "[ . 1 .]" 2
15 1 28 PRO HA 1 29 VAL H 2.500 . 3.500 3.561 3.531 3.585 0.085 10 0 "[ . 1 .]" 2
16 1 28 PRO QB 1 28 PRO QD . 3.000 3.500 2.917 2.887 2.971 0.113 2 0 "[ . 1 .]" 2
17 1 29 VAL HA 1 29 VAL HB 2.500 . 3.500 2.425 2.356 2.509 . 0 0 "[ . 1 .]" 2
18 1 29 VAL HA 1 29 VAL QG 2.500 . 3.500 2.291 2.232 2.331 . 0 0 "[ . 1 .]" 2
19 1 29 VAL HA 1 30 CYS H 2.500 . 3.500 2.412 2.334 2.512 . 0 0 "[ . 1 .]" 2
20 1 29 VAL HA 1 60 GLY H 2.500 . 3.500 3.147 2.135 3.524 0.024 3 0 "[ . 1 .]" 2
21 1 29 VAL HB 1 29 VAL QG 2.500 . 3.500 1.918 1.897 1.936 0.103 13 0 "[ . 1 .]" 2
22 1 29 VAL HB 1 30 CYS H 2.500 . 3.500 2.050 1.904 2.298 . 0 0 "[ . 1 .]" 2
23 1 29 VAL H 1 29 VAL QG 2.500 . 3.500 2.021 1.988 2.054 0.012 11 0 "[ . 1 .]" 2
24 1 29 VAL H 1 37 TYR H 2.500 . 3.500 3.566 3.477 3.646 0.146 10 0 "[ . 1 .]" 2
25 1 30 CYS HA 1 30 CYS QB 2.500 . 3.500 2.402 2.348 2.526 . 0 0 "[ . 1 .]" 2
26 1 30 CYS HA 1 31 GLY H 2.500 . 3.500 2.015 1.952 2.131 . 0 0 "[ . 1 .]" 2
27 1 30 CYS HA 1 37 TYR H 2.500 . 3.500 3.359 3.174 3.514 0.014 4 0 "[ . 1 .]" 2
28 1 30 CYS H 1 30 CYS QB 2.500 2.500 3.500 2.439 2.393 2.472 0.107 9 0 "[ . 1 .]" 2
29 1 30 CYS QB 1 56 ILE HB 2.500 . 3.500 3.601 3.546 3.673 0.173 7 0 "[ . 1 .]" 2
30 1 31 GLY H 1 31 GLY QA 2.500 . 3.500 2.083 2.003 2.307 . 0 0 "[ . 1 .]" 2
31 1 31 GLY QA 1 36 THR H 2.500 . 3.500 4.018 3.764 5.480 1.980 7 2 "[- . + 1 .]" 2
32 1 31 GLY QA 1 32 SER H 2.500 . 3.500 2.270 2.083 2.392 . 0 0 "[ . 1 .]" 2
33 1 31 GLY QA 1 34 MET H 2.500 . 3.500 3.390 2.712 3.549 0.049 8 0 "[ . 1 .]" 2
34 1 32 SER HA 1 32 SER QB 2.500 . 3.500 2.356 2.201 2.466 . 0 0 "[ . 1 .]" 2
35 1 32 SER HA 1 57 ILE QG 2.500 . 3.500 3.608 3.554 3.662 0.162 3 0 "[ . 1 .]" 2
36 1 9 TYR QD 1 32 SER QB 2.500 . 3.500 3.152 2.761 3.446 . 0 0 "[ . 1 .]" 2
37 1 32 SER QB 1 55 LYS QB 2.500 . 3.500 3.241 2.201 3.607 0.107 12 0 "[ . 1 .]" 2
38 1 33 ASP HA 1 33 ASP QB 2.500 . 3.500 2.389 2.181 2.511 . 0 0 "[ . 1 .]" 2
39 1 33 ASP HA 1 34 MET H 2.500 . 3.500 2.966 2.737 3.416 . 0 0 "[ . 1 .]" 2
40 1 33 ASP H 1 33 ASP QB 2.500 . 3.500 2.354 2.138 2.950 . 0 0 "[ . 1 .]" 2
41 1 33 ASP H 1 34 MET H 2.500 . 3.500 2.734 2.485 3.068 . 0 0 "[ . 1 .]" 2
42 1 34 MET HA 1 34 MET QB 2.500 . 3.500 2.366 2.294 2.422 . 0 0 "[ . 1 .]" 2
43 1 34 MET H 1 34 MET HA 2.500 . 3.500 2.264 2.183 2.806 . 0 0 "[ . 1 .]" 2
44 1 35 SER HA 1 35 SER QB 2.500 . 3.500 2.377 2.296 2.449 . 0 0 "[ . 1 .]" 2
45 1 35 SER H 1 35 SER HA 2.500 . 3.500 2.844 2.703 2.951 . 0 0 "[ . 1 .]" 2
46 1 35 SER HA 1 36 THR H 2.500 . 3.500 2.211 2.098 2.532 . 0 0 "[ . 1 .]" 2
47 1 35 SER QB 1 37 TYR QB 2.500 . 3.500 3.455 3.137 3.587 0.087 12 0 "[ . 1 .]" 2
48 1 35 SER H 1 35 SER QB 2.500 . 3.500 2.908 2.501 3.223 . 0 0 "[ . 1 .]" 2
49 1 34 MET H 1 35 SER H 2.500 . 3.500 2.935 2.406 3.286 . 0 0 "[ . 1 .]" 2
50 1 35 SER H 1 36 THR H 4.500 3.000 6.000 3.774 3.278 4.357 . 0 0 "[ . 1 .]" 2
51 1 36 THR HA 1 37 TYR H 2.500 . 3.500 2.223 2.151 2.394 . 0 0 "[ . 1 .]" 2
52 1 37 TYR HA 1 37 TYR QB 2.500 . 3.500 2.193 2.175 2.214 . 0 0 "[ . 1 .]" 2
53 1 37 TYR HA 1 37 TYR QD 2.500 . 3.500 3.559 3.527 3.580 0.080 2 0 "[ . 1 .]" 2
54 1 37 TYR HA 1 38 ALA H 2.500 . 3.500 2.601 2.516 2.690 . 0 0 "[ . 1 .]" 2
55 1 29 VAL QG 1 37 TYR QB 2.500 . 3.500 3.580 3.545 3.612 0.112 2 0 "[ . 1 .]" 2
56 1 37 TYR QB 1 37 TYR QD 2.500 . 3.500 2.099 2.058 2.183 . 0 0 "[ . 1 .]" 2
57 1 37 TYR H 1 37 TYR QB 2.500 . 3.500 3.361 3.331 3.415 . 0 0 "[ . 1 .]" 2
58 1 37 TYR QB 1 43 LEU HG 2.500 . 3.500 2.768 2.464 3.104 . 0 0 "[ . 1 .]" 2
59 1 37 TYR H 1 37 TYR QD 2.500 . 3.500 1.981 1.857 2.113 . 0 0 "[ . 1 .]" 2
60 1 38 ALA H 1 38 ALA HA 2.500 . 3.500 2.647 2.522 2.790 . 0 0 "[ . 1 .]" 2
61 1 38 ALA HA 1 43 LEU H 2.500 . 3.500 3.652 3.556 3.733 0.233 6 0 "[ . 1 .]" 2
62 1 26 PHE QD 1 38 ALA MB 2.500 . 3.500 3.435 3.095 3.536 0.036 13 0 "[ . 1 .]" 2
63 1 38 ALA H 1 38 ALA MB 2.500 . 3.500 3.091 2.874 3.219 . 0 0 "[ . 1 .]" 2
64 1 26 PHE QE 1 38 ALA MB . 3.000 3.500 3.498 3.168 3.587 0.087 12 0 "[ . 1 .]" 2
65 1 38 ALA MB 1 39 ASN H 2.500 . 3.500 2.893 1.968 3.554 0.054 13 0 "[ . 1 .]" 2
66 1 39 ASN HA 1 40 GLU H 2.500 . 3.500 2.500 2.129 2.765 . 0 0 "[ . 1 .]" 2
67 1 40 GLU HA 1 40 GLU QG 2.500 . 3.500 2.713 2.354 3.340 . 0 0 "[ . 1 .]" 2
68 1 40 GLU HA 1 41 CYS H 2.500 . 3.500 3.258 2.902 3.419 . 0 0 "[ . 1 .]" 2
69 1 41 CYS HA 1 41 CYS QB 2.500 . 3.500 2.333 2.155 2.499 . 0 0 "[ . 1 .]" 2
70 1 41 CYS HA 1 45 MET QB 2.500 . 3.500 3.001 1.796 3.683 0.183 2 0 "[ . 1 .]" 2
71 1 41 CYS HA 1 45 MET QG 2.500 . 3.500 2.392 1.898 3.530 0.102 10 0 "[ . 1 .]" 2
72 1 42 THR HA 1 45 MET QB 2.500 . 3.500 3.578 3.458 3.699 0.199 8 0 "[ . 1 .]" 2
73 1 43 LEU HA 1 43 LEU QB 2.500 . 3.500 2.183 2.137 2.265 . 0 0 "[ . 1 .]" 2
74 1 43 LEU HA 1 43 LEU QD 2.500 . 3.500 2.076 1.965 2.215 0.035 2 0 "[ . 1 .]" 2
75 1 43 LEU HA 1 43 LEU HG 2.500 . 3.500 2.804 2.622 2.998 . 0 0 "[ . 1 .]" 2
76 1 43 LEU HA 1 46 LYS QB 2.500 . 3.500 2.154 1.938 2.400 . 0 0 "[ . 1 .]" 2
77 1 43 LEU H 1 43 LEU QB 2.500 . 3.500 2.825 2.747 2.881 . 0 0 "[ . 1 .]" 2
78 1 43 LEU QB 1 54 ILE QG 2.500 . 3.500 3.674 3.582 3.796 0.296 11 0 "[ . 1 .]" 2
79 1 43 LEU H 1 43 LEU HG 2.500 . 3.500 2.931 2.733 3.049 . 0 0 "[ . 1 .]" 2
80 1 41 CYS H 1 43 LEU H 2.500 . 3.500 3.719 3.656 3.804 0.304 3 0 "[ . 1 .]" 2
81 1 42 THR H 1 43 LEU H 2.500 . 3.500 2.563 2.353 2.797 . 0 0 "[ . 1 .]" 2
82 1 43 LEU H 1 44 CYS H 2.500 . 3.500 2.371 2.246 2.541 . 0 0 "[ . 1 .]" 2
83 1 43 LEU QB 1 44 CYS HA 2.500 . 3.500 3.143 3.013 3.252 . 0 0 "[ . 1 .]" 2
84 1 44 CYS HA 1 44 CYS QB 2.500 . 3.500 2.383 2.229 2.517 . 0 0 "[ . 1 .]" 2
85 1 44 CYS H 1 44 CYS HA 2.500 . 3.500 2.781 2.719 2.825 . 0 0 "[ . 1 .]" 2
86 1 44 CYS H 1 44 CYS QB 2.500 . 3.500 2.475 2.318 2.744 . 0 0 "[ . 1 .]" 2
87 1 45 MET HA 1 45 MET QB 2.500 . 3.500 2.386 2.310 2.435 . 0 0 "[ . 1 .]" 2
88 1 45 MET HA 1 45 MET QG 2.500 . 3.500 2.866 2.329 3.139 . 0 0 "[ . 1 .]" 2
89 1 45 MET QB 1 46 LYS H 2.500 . 3.500 2.156 1.992 2.414 . 0 0 "[ . 1 .]" 2
90 1 45 MET QG 1 46 LYS H 2.500 . 3.500 3.559 3.218 3.706 0.206 14 0 "[ . 1 .]" 2
91 1 41 CYS QB 1 45 MET QG 2.500 . 3.500 3.516 3.213 3.709 0.209 14 0 "[ . 1 .]" 2
92 1 45 MET QB 1 45 MET QG 2.500 . 3.500 1.953 1.910 1.997 0.090 2 0 "[ . 1 .]" 2
93 1 46 LYS H 1 46 LYS HA 2.500 . 3.500 2.746 2.683 2.844 . 0 0 "[ . 1 .]" 2
94 1 46 LYS HA 1 50 GLY H 2.500 . 3.500 2.594 2.421 2.900 . 0 0 "[ . 1 .]" 2
95 1 43 LEU QD 1 46 LYS QB 2.500 . 3.500 2.922 2.742 3.174 . 0 0 "[ . 1 .]" 2
96 1 46 LYS QB 1 47 ILE H 2.500 . 3.500 2.540 2.366 2.678 . 0 0 "[ . 1 .]" 2
97 1 46 LYS H 1 46 LYS QG 2.500 . 3.500 3.547 2.401 3.766 0.266 13 0 "[ . 1 .]" 2
98 1 46 LYS QG 1 48 ARG H 4.500 3.000 6.000 5.875 5.664 6.075 0.075 9 0 "[ . 1 .]" 2
99 1 47 ILE HA 1 47 ILE QG 2.500 . 3.500 2.265 2.128 2.371 . 0 0 "[ . 1 .]" 2
100 1 47 ILE HA 1 51 GLY H 2.500 . 3.500 3.907 3.756 4.915 1.415 3 1 "[ + . 1 .]" 2
101 1 47 ILE HB 1 47 ILE QG 2.500 . 3.500 2.248 2.156 2.319 . 0 0 "[ . 1 .]" 2
102 1 47 ILE QG 1 54 ILE H 2.500 . 3.500 1.847 1.784 2.249 0.016 1 0 "[ . 1 .]" 2
103 1 48 ARG QB 1 49 GLU H 2.500 . 3.500 2.613 2.280 3.501 0.001 1 0 "[ . 1 .]" 2
104 1 49 GLU HA 1 49 GLU QG 2.500 . 3.500 3.319 2.602 3.540 0.040 11 0 "[ . 1 .]" 2
105 1 49 GLU HA 1 52 HIS H 2.500 . 3.500 3.876 3.642 5.646 2.146 2 1 "[ + . 1 .]" 2
106 1 49 GLU H 1 49 GLU QG 2.500 . 3.500 3.119 2.326 3.586 0.086 13 0 "[ . 1 .]" 2
107 1 52 HIS HA 1 52 HIS QB 2.500 . 3.500 2.447 2.365 2.516 . 0 0 "[ . 1 .]" 2
108 1 52 HIS H 1 52 HIS HA 2.500 . 3.500 2.794 2.752 2.877 . 0 0 "[ . 1 .]" 2
109 1 52 HIS HA 1 53 ASN H 2.500 . 3.500 2.577 2.138 2.700 . 0 0 "[ . 1 .]" 2
110 1 52 HIS H 1 52 HIS QB 2.500 . 3.500 2.803 2.659 2.907 . 0 0 "[ . 1 .]" 2
111 1 53 ASN HA 1 53 ASN QB 2.500 . 3.500 2.437 2.203 2.516 . 0 0 "[ . 1 .]" 2
112 1 53 ASN HA 1 54 ILE H 2.500 . 3.500 2.155 2.064 2.299 . 0 0 "[ . 1 .]" 2
113 1 53 ASN H 1 53 ASN QB 2.500 . 3.500 2.410 2.260 2.907 . 0 0 "[ . 1 .]" 2
114 1 54 ILE H 1 54 ILE HA 2.500 . 3.500 2.778 2.734 2.877 . 0 0 "[ . 1 .]" 2
115 1 54 ILE HA 1 55 LYS H 2.500 . 3.500 1.949 1.806 2.058 . 0 0 "[ . 1 .]" 2
116 1 54 ILE H 1 54 ILE QG 2.500 2.500 3.500 3.452 3.343 3.522 0.022 3 0 "[ . 1 .]" 2
117 1 55 LYS HA 1 55 LYS QB 2.500 . 3.500 2.209 2.170 2.311 . 0 0 "[ . 1 .]" 2
118 1 55 LYS HA 1 55 LYS QG 2.500 . 3.500 3.373 3.008 3.554 0.054 10 0 "[ . 1 .]" 2
119 1 55 LYS H 1 55 LYS HA 2.500 . 3.500 2.871 2.833 2.908 . 0 0 "[ . 1 .]" 2
120 1 55 LYS QB 1 56 ILE H 2.500 . 3.500 3.127 2.674 3.457 . 0 0 "[ . 1 .]" 2
121 1 9 TYR QD 1 55 LYS QB 2.500 . 3.500 3.133 2.485 3.604 0.104 14 0 "[ . 1 .]" 2
122 1 9 TYR QD 1 55 LYS QG 2.500 . 3.500 3.084 2.235 3.626 0.126 7 0 "[ . 1 .]" 2
123 1 55 LYS H 1 55 LYS QG 2.500 . 3.500 2.541 1.948 3.080 . 0 0 "[ . 1 .]" 2
124 1 43 LEU QD 1 56 ILE HA 2.500 . 3.500 4.016 3.812 4.942 1.442 14 2 "[ - . 1 +.]" 2
125 1 56 ILE HA 1 56 ILE HB 2.500 . 3.500 2.420 2.380 2.450 . 0 0 "[ . 1 .]" 2
126 1 56 ILE H 1 56 ILE HB 2.500 . 3.500 3.603 3.588 3.645 0.145 14 0 "[ . 1 .]" 2
127 1 57 ILE HA 1 57 ILE HB 2.500 . 3.500 2.423 2.328 2.484 . 0 0 "[ . 1 .]" 2
128 1 9 TYR QE 1 57 ILE HB 2.500 . 3.500 3.564 3.502 3.627 0.127 15 0 "[ . 1 .]" 2
129 1 57 ILE HB 1 58 ARG H 2.500 . 3.500 3.682 3.619 3.784 0.284 4 0 "[ . 1 .]" 2
130 1 30 CYS QB 1 58 ARG HA 2.500 . 3.500 3.666 3.608 3.738 0.238 14 0 "[ . 1 .]" 2
131 1 58 ARG HA 1 59 ASN H 2.500 . 3.500 2.121 1.898 2.272 . 0 0 "[ . 1 .]" 2
132 1 58 ARG H 1 58 ARG QB 2.500 . 3.500 2.697 2.523 2.882 . 0 0 "[ . 1 .]" 2
133 1 57 ILE H 1 58 ARG H 2.500 . 3.500 2.184 1.965 2.287 . 0 0 "[ . 1 .]" 2
134 1 29 VAL QG 1 59 ASN HA 2.500 . 3.500 2.637 2.450 2.843 . 0 0 "[ . 1 .]" 2
135 1 59 ASN HA 1 59 ASN QB 2.500 . 3.500 2.156 2.092 2.333 . 0 0 "[ . 1 .]" 2
136 1 59 ASN HA 1 60 GLY H 2.500 . 3.500 3.014 1.951 3.357 . 0 0 "[ . 1 .]" 2
137 1 29 VAL QG 1 59 ASN QB 2.500 . 3.500 3.634 3.512 3.700 0.200 10 0 "[ . 1 .]" 2
138 1 59 ASN H 1 59 ASN QB 2.500 . 3.500 2.385 2.112 2.591 . 0 0 "[ . 1 .]" 2
139 1 59 ASN QB 1 59 ASN QD 2.500 . 3.500 2.209 2.099 2.711 . 0 0 "[ . 1 .]" 2
140 1 28 PRO QB 1 60 GLY QA 2.500 . 3.500 3.428 2.924 3.602 0.102 8 0 "[ . 1 .]" 2
141 1 60 GLY H 1 60 GLY QA 2.500 . 3.500 2.426 2.282 2.481 . 0 0 "[ . 1 .]" 2
142 1 62 CYS H 1 62 CYS QB 2.500 . 3.500 2.554 2.284 3.311 . 0 0 "[ . 1 .]" 2
143 1 2 GLN H 1 2 GLN HA 2.500 . 4.000 2.764 2.102 2.941 . 0 0 "[ . 1 .]" 2
144 1 3 PHE HA 1 3 PHE QB 2.500 . 4.000 2.413 2.356 2.484 . 0 0 "[ . 1 .]" 2
145 1 3 PHE H 1 3 PHE HA 2.500 . 4.000 2.500 2.202 2.964 . 0 0 "[ . 1 .]" 2
146 1 3 PHE HA 1 4 GLY H 2.500 . 4.000 2.853 2.080 3.529 . 0 0 "[ . 1 .]" 2
147 1 3 PHE H 1 3 PHE QB . 3.000 4.000 3.051 2.769 3.412 0.231 10 0 "[ . 1 .]" 2
148 1 3 PHE QB 1 4 GLY H 2.500 2.500 4.000 3.304 2.316 3.995 0.184 9 0 "[ . 1 .]" 2
149 1 5 LEU H 1 5 LEU HA 2.500 . 4.000 2.885 2.664 2.955 . 0 0 "[ . 1 .]" 2
150 1 5 LEU H 1 5 LEU QB 2.500 . 4.000 2.614 2.151 3.592 . 0 0 "[ . 1 .]" 2
151 1 5 LEU H 1 5 LEU HG 2.500 . 4.000 3.447 1.945 4.140 0.140 9 0 "[ . 1 .]" 2
152 1 6 PHE HA 1 6 PHE QD 2.500 . 4.000 2.923 2.473 3.761 . 0 0 "[ . 1 .]" 2
153 1 6 PHE H 1 6 PHE HA 2.500 . 4.000 2.724 2.221 2.945 . 0 0 "[ . 1 .]" 2
154 1 6 PHE QB 1 7 SER H 2.500 . 4.000 2.895 1.983 3.961 0.017 8 0 "[ . 1 .]" 2
155 1 6 PHE H 1 6 PHE QD 2.500 . 4.000 3.080 2.199 4.075 0.075 1 0 "[ . 1 .]" 2
156 1 7 SER H 1 7 SER HA 2.500 . 4.000 2.776 2.183 2.921 . 0 0 "[ . 1 .]" 2
157 1 7 SER QB 1 8 LYS H 2.500 . 4.000 3.113 2.003 3.870 . 0 0 "[ . 1 .]" 2
158 1 7 SER H 1 7 SER QB 2.500 . 4.000 2.619 2.300 3.011 . 0 0 "[ . 1 .]" 2
159 1 8 LYS H 1 8 LYS QB 2.500 . 4.000 2.911 2.266 3.496 . 0 0 "[ . 1 .]" 2
160 1 8 LYS QB 1 9 TYR H 2.500 . 4.000 2.948 2.093 4.029 0.029 3 0 "[ . 1 .]" 2
161 1 8 LYS H 1 8 LYS QG 2.500 . 4.000 2.926 1.976 4.089 0.089 10 0 "[ . 1 .]" 2
162 1 8 LYS QG 1 9 TYR H 2.500 . 4.000 3.478 2.535 4.084 0.084 4 0 "[ . 1 .]" 2
163 1 9 TYR HA 1 9 TYR QE 2.500 . 4.000 4.058 3.919 4.117 0.117 13 0 "[ . 1 .]" 2
164 1 9 TYR H 1 9 TYR HA 2.500 . 4.000 2.594 2.169 2.920 . 0 0 "[ . 1 .]" 2
165 1 9 TYR QB 1 9 TYR QE 2.500 . 4.000 3.958 3.900 3.986 . 0 0 "[ . 1 .]" 2
166 1 9 TYR H 1 9 TYR QB 2.500 . 4.000 2.619 2.110 3.036 . 0 0 "[ . 1 .]" 2
167 1 9 TYR QB 1 10 ARG H 2.500 . 4.000 2.238 1.976 2.737 0.024 3 0 "[ . 1 .]" 2
168 1 9 TYR H 1 9 TYR QD 2.500 . 4.000 4.050 3.661 4.159 0.159 11 0 "[ . 1 .]" 2
169 1 9 TYR QD 1 10 ARG H 2.500 . 4.000 2.077 1.922 2.487 0.078 6 0 "[ . 1 .]" 2
170 1 9 TYR QD 1 10 ARG HA 2.500 . 4.000 4.116 4.050 4.266 0.266 15 0 "[ . 1 .]" 2
171 1 10 ARG HA 1 10 ARG QB 2.500 . 4.000 2.306 2.156 2.502 . 0 0 "[ . 1 .]" 2
172 1 10 ARG HA 1 10 ARG QG 2.500 . 4.000 2.924 2.072 3.591 . 0 0 "[ . 1 .]" 2
173 1 10 ARG H 1 10 ARG HA 2.500 . 4.000 2.822 2.740 2.893 . 0 0 "[ . 1 .]" 2
174 1 10 ARG H 1 11 THR H 2.500 . 4.000 4.110 4.042 4.200 0.200 14 0 "[ . 1 .]" 2
175 1 10 ARG QH1 1 11 THR HA 2.500 . 4.000 3.396 3.131 3.801 . 0 0 "[ . 1 .]" 2
176 1 11 THR H 1 11 THR HA 2.500 . 4.000 2.898 2.848 2.938 . 0 0 "[ . 1 .]" 2
177 1 12 PRO QB 1 13 ASN H 2.500 . 4.000 3.022 2.329 3.580 . 0 0 "[ . 1 .]" 2
178 1 13 ASN H 1 13 ASN QB 2.500 2.500 4.000 2.560 2.493 2.672 0.007 5 0 "[ . 1 .]" 2
179 1 13 ASN QB 1 14 CYS H 2.500 . 4.000 3.436 2.983 3.865 . 0 0 "[ . 1 .]" 2
180 1 14 CYS HA 1 14 CYS QB 2.500 . 4.000 2.275 2.109 2.444 . 0 0 "[ . 1 .]" 2
181 1 14 CYS H 1 14 CYS HA 2.500 . 4.000 2.862 2.811 2.934 . 0 0 "[ . 1 .]" 2
182 1 14 CYS HA 1 15 SER H 2.500 . 4.000 2.920 2.238 3.509 . 0 0 "[ . 1 .]" 2
183 1 14 CYS HA 1 17 TYR QE 2.500 . 4.000 3.499 2.317 4.099 0.099 6 0 "[ . 1 .]" 2
184 1 15 SER H 1 15 SER HA 2.500 . 4.000 2.775 2.176 2.950 . 0 0 "[ . 1 .]" 2
185 1 15 SER HA 1 16 GLN H 2.500 . 4.000 3.120 2.257 3.622 . 0 0 "[ . 1 .]" 2
186 1 15 SER QB 1 16 GLN H 2.500 . 4.000 3.320 2.172 3.826 . 0 0 "[ . 1 .]" 2
187 1 16 GLN HA 1 16 GLN QG 2.500 . 4.000 3.132 2.577 3.441 . 0 0 "[ . 1 .]" 2
188 1 16 GLN H 1 16 GLN HA 2.500 . 4.000 2.893 2.723 2.942 . 0 0 "[ . 1 .]" 2
189 1 16 GLN H 1 16 GLN QB 2.500 . 4.000 2.799 2.255 3.396 . 0 0 "[ . 1 .]" 2
190 1 16 GLN QE 1 16 GLN QG 2.500 2.500 4.000 2.357 2.304 2.405 0.196 10 0 "[ . 1 .]" 2
191 1 16 GLN H 1 16 GLN QG 2.500 . 4.000 2.838 1.978 4.027 0.027 6 0 "[ . 1 .]" 2
192 1 15 SER H 1 16 GLN H 2.500 . 4.000 2.688 1.961 4.021 0.039 13 0 "[ . 1 .]" 2
193 1 17 TYR HA 1 17 TYR QE 2.500 . 4.000 4.115 3.981 4.202 0.202 4 0 "[ . 1 .]" 2
194 1 17 TYR H 1 17 TYR HA 2.500 . 4.000 2.740 2.215 2.944 . 0 0 "[ . 1 .]" 2
195 1 17 TYR QB 1 17 TYR QE . 3.000 4.000 3.924 3.878 3.967 . 0 0 "[ . 1 .]" 2
196 1 17 TYR QD 1 18 ARG H 2.500 . 4.000 3.819 3.301 4.206 0.206 1 0 "[ . 1 .]" 2
197 1 16 GLN H 1 17 TYR H 2.500 . 4.000 3.095 1.948 4.093 0.093 6 0 "[ . 1 .]" 2
198 1 18 ARG H 1 18 ARG HB2 2.500 . 4.000 2.636 2.228 3.540 . 0 0 "[ . 1 .]" 2
199 1 19 LEU H 1 19 LEU HA 2.500 . 4.000 2.784 2.143 2.923 . 0 0 "[ . 1 .]" 2
200 1 19 LEU QB 1 19 LEU QD 2.500 . 4.000 1.972 1.925 2.076 0.075 12 0 "[ . 1 .]" 2
201 1 19 LEU QB 1 22 CYS H 2.500 . 4.000 3.984 3.463 4.148 0.148 15 0 "[ . 1 .]" 2
202 1 19 LEU H 1 19 LEU HG 2.500 . 4.000 3.982 3.404 4.174 0.174 4 0 "[ . 1 .]" 2
203 1 19 LEU HG 1 21 GLY H 2.500 . 4.000 3.663 1.970 4.121 0.121 7 0 "[ . 1 .]" 2
204 1 20 PRO HA 1 21 GLY H 2.500 . 4.000 3.350 3.165 3.507 . 0 0 "[ . 1 .]" 2
205 1 19 LEU QB 1 20 PRO QD 2.500 . 4.000 2.536 1.980 3.443 0.020 12 0 "[ . 1 .]" 2
206 1 20 PRO QD 1 20 PRO QG 2.500 . 4.000 1.973 1.950 1.985 0.050 12 0 "[ . 1 .]" 2
207 1 20 PRO QD 1 21 GLY H 2.500 . 4.000 2.694 2.355 3.044 . 0 0 "[ . 1 .]" 2
208 1 22 CYS HA 1 22 CYS QB 2.500 2.500 4.000 2.451 2.388 2.554 0.112 10 0 "[ . 1 .]" 2
209 1 22 CYS H 1 22 CYS HA 2.500 . 4.000 2.894 2.845 2.923 . 0 0 "[ . 1 .]" 2
210 1 22 CYS HA 1 23 PRO QD 2.500 . 4.000 2.190 1.979 2.515 0.021 7 0 "[ . 1 .]" 2
211 1 23 PRO QG 1 24 ARG H 2.500 . 4.000 4.129 4.035 4.240 0.240 8 0 "[ . 1 .]" 2
212 1 23 PRO QB 1 23 PRO QG 2.500 . 4.000 1.978 1.961 1.997 0.039 3 0 "[ . 1 .]" 2
213 1 24 ARG HA 1 24 ARG QG 2.500 . 4.000 2.617 2.229 3.133 . 0 0 "[ . 1 .]" 2
214 1 24 ARG HA 1 25 HIS H 2.500 . 4.000 3.077 2.112 3.583 . 0 0 "[ . 1 .]" 2
215 1 24 ARG H 1 24 ARG QB 2.500 . 4.000 2.737 1.998 3.395 0.002 3 0 "[ . 1 .]" 2
216 1 24 ARG QB 1 26 PHE QD 2.500 . 4.000 2.880 1.980 3.702 0.020 11 0 "[ . 1 .]" 2
217 1 24 ARG QB 1 26 PHE QE 2.500 . 4.000 3.164 1.995 4.092 0.092 7 0 "[ . 1 .]" 2
218 1 24 ARG QG 1 25 HIS H 2.500 . 4.000 3.744 3.013 4.086 0.086 5 0 "[ . 1 .]" 2
219 1 25 HIS H 1 25 HIS HA 2.500 . 4.000 2.800 2.185 2.952 . 0 0 "[ . 1 .]" 2
220 1 25 HIS H 1 25 HIS QB 2.500 . 4.000 2.943 2.456 3.419 . 0 0 "[ . 1 .]" 2
221 1 25 HIS QB 1 26 PHE H 2.500 . 4.000 3.655 2.881 4.009 0.009 5 0 "[ . 1 .]" 2
222 1 24 ARG H 1 25 HIS H 2.500 . 4.000 3.493 2.042 4.258 0.258 11 0 "[ . 1 .]" 2
223 1 27 ASN HA 1 39 ASN QD 2.500 . 4.000 3.745 3.215 4.121 0.121 8 0 "[ . 1 .]" 2
224 1 27 ASN H 1 27 ASN QB 2.500 . 4.000 2.736 2.549 2.958 . 0 0 "[ . 1 .]" 2
225 1 28 PRO HA 1 29 VAL QG 2.500 . 4.000 4.042 3.989 4.080 0.080 15 0 "[ . 1 .]" 2
226 1 28 PRO HA 1 38 ALA MB 2.500 . 4.000 4.128 4.062 4.209 0.209 10 0 "[ . 1 .]" 2
227 1 26 PHE QE 1 28 PRO QG 2.500 . 4.000 3.359 3.085 3.665 . 0 0 "[ . 1 .]" 2
228 1 28 PRO QG 1 29 VAL H 2.500 . 4.000 3.875 3.729 3.958 . 0 0 "[ . 1 .]" 2
229 1 29 VAL H 1 29 VAL HA 2.500 . 4.000 2.932 2.897 2.954 . 0 0 "[ . 1 .]" 2
230 1 29 VAL QG 1 30 CYS H 2.500 . 4.000 2.973 2.812 3.102 . 0 0 "[ . 1 .]" 2
231 1 29 VAL QG 1 60 GLY H 2.500 . 4.000 3.282 1.975 3.890 0.025 10 0 "[ . 1 .]" 2
232 1 29 VAL QG 1 37 TYR QD 2.500 . 4.000 2.038 1.960 2.170 0.040 4 0 "[ . 1 .]" 2
233 1 29 VAL QG 1 37 TYR H 2.500 . 4.000 3.014 2.873 3.142 . 0 0 "[ . 1 .]" 2
234 1 30 CYS H 1 30 CYS HA 2.500 . 4.000 2.900 2.875 2.923 . 0 0 "[ . 1 .]" 2
235 1 30 CYS HA 1 37 TYR QD 2.500 . 4.000 4.050 3.793 4.196 0.196 14 0 "[ . 1 .]" 2
236 1 30 CYS QB 1 57 ILE HB 2.500 . 4.000 4.088 4.021 4.155 0.155 6 0 "[ . 1 .]" 2
237 1 30 CYS QB 1 57 ILE QG 2.500 . 4.000 4.096 4.055 4.151 0.151 4 0 "[ . 1 .]" 2
238 1 30 CYS QB 1 58 ARG HB2 2.500 . 4.000 2.103 1.990 2.296 0.010 5 0 "[ . 1 .]" 2
239 1 30 CYS QB 1 62 CYS QB . 3.000 4.000 3.843 3.455 4.061 0.061 14 0 "[ . 1 .]" 2
240 1 30 CYS QB 1 31 GLY H 2.500 . 4.000 3.145 2.876 3.592 . 0 0 "[ . 1 .]" 2
241 1 30 CYS H 1 31 GLY H 2.500 . 4.000 4.192 4.160 4.224 0.224 2 0 "[ . 1 .]" 2
242 1 31 GLY QA 1 35 SER H 2.500 . 4.000 2.124 1.915 2.688 0.085 13 0 "[ . 1 .]" 2
243 1 31 GLY QA 1 37 TYR QD 2.500 . 4.000 3.614 3.415 3.727 . 0 0 "[ . 1 .]" 2
244 1 31 GLY QA 1 37 TYR QE 2.500 . 4.000 1.989 1.953 2.098 0.047 8 0 "[ . 1 .]" 2
245 1 32 SER H 1 32 SER HA 2.500 . 4.000 2.867 2.788 2.909 . 0 0 "[ . 1 .]" 2
246 1 32 SER HA 1 33 ASP H 2.500 . 4.000 3.453 3.339 3.527 . 0 0 "[ . 1 .]" 2
247 1 32 SER HA 1 34 MET H 2.500 . 4.000 3.435 3.028 4.069 0.069 2 0 "[ . 1 .]" 2
248 1 9 TYR QE 1 32 SER QB 2.500 . 4.000 3.617 3.292 4.023 0.023 2 0 "[ . 1 .]" 2
249 1 32 SER H 1 32 SER QB 2.500 . 4.000 2.362 2.202 2.601 . 0 0 "[ . 1 .]" 2
250 1 32 SER QB 1 55 LYS H 2.500 . 4.000 3.333 3.013 4.036 0.036 1 0 "[ . 1 .]" 2
251 1 32 SER QB 1 57 ILE HB 2.500 . 4.000 2.617 2.072 3.381 . 0 0 "[ . 1 .]" 2
252 1 32 SER QB 1 57 ILE QG 2.500 . 4.000 3.655 3.169 4.082 0.082 12 0 "[ . 1 .]" 2
253 1 33 ASP H 1 33 ASP HA 2.500 . 4.000 2.888 2.854 2.913 . 0 0 "[ . 1 .]" 2
254 1 33 ASP HA 1 34 MET QB 2.500 . 4.000 3.940 3.744 4.116 0.116 2 0 "[ . 1 .]" 2
255 1 32 SER H 1 33 ASP H 2.500 . 4.000 2.258 2.002 2.524 . 0 0 "[ . 1 .]" 2
256 1 34 MET HA 1 35 SER H 2.500 . 4.000 2.620 2.159 3.714 . 0 0 "[ . 1 .]" 2
257 1 34 MET H 1 34 MET QB 2.500 . 4.000 3.045 2.891 3.341 . 0 0 "[ . 1 .]" 2
258 1 34 MET QB 1 35 SER H 2.500 . 4.000 3.795 2.535 4.029 0.029 15 0 "[ . 1 .]" 2
259 1 35 SER QB 1 36 THR H 2.500 . 4.000 3.242 1.995 3.662 0.005 10 0 "[ . 1 .]" 2
260 1 35 SER QB 1 37 TYR QE 2.500 . 4.000 2.727 2.364 3.530 . 0 0 "[ . 1 .]" 2
261 1 31 GLY H 1 35 SER H 2.500 . 4.000 3.631 3.069 4.131 0.131 2 0 "[ . 1 .]" 2
262 1 36 THR H 1 36 THR HA 2.500 . 4.000 2.868 2.828 2.935 . 0 0 "[ . 1 .]" 2
263 1 37 TYR H 1 37 TYR HA 2.500 . 4.000 2.850 2.821 2.886 . 0 0 "[ . 1 .]" 2
264 1 37 TYR QB 1 38 ALA H 2.500 . 4.000 1.966 1.911 1.996 0.089 10 0 "[ . 1 .]" 2
265 1 37 TYR QB 1 39 ASN QD 2.500 . 4.000 3.933 3.459 4.070 0.070 4 0 "[ . 1 .]" 2
266 1 31 GLY H 1 37 TYR QD 2.500 . 4.000 3.913 3.704 4.033 0.033 1 0 "[ . 1 .]" 2
267 1 37 TYR QD 1 38 ALA H 2.500 . 4.000 3.925 3.842 3.987 . 0 0 "[ . 1 .]" 2
268 1 31 GLY H 1 37 TYR QE 2.500 . 4.000 3.497 3.088 3.768 . 0 0 "[ . 1 .]" 2
269 1 38 ALA HA 1 39 ASN H 2.500 . 4.000 2.481 1.998 3.397 0.002 14 0 "[ . 1 .]" 2
270 1 38 ALA MB 1 39 ASN QD 2.500 . 4.000 3.721 2.924 4.074 0.074 3 0 "[ . 1 .]" 2
271 1 39 ASN HA 1 43 LEU H 2.500 . 4.000 4.259 4.157 4.356 0.356 7 0 "[ . 1 .]" 2
272 1 38 ALA H 1 39 ASN QD 2.500 . 4.000 2.870 2.459 3.253 . 0 0 "[ . 1 .]" 2
273 1 40 GLU HA 1 40 GLU QB 2.500 . 4.000 2.369 2.147 2.528 . 0 0 "[ . 1 .]" 2
274 1 40 GLU H 1 40 GLU HA 2.500 . 4.000 2.833 2.761 2.879 . 0 0 "[ . 1 .]" 2
275 1 40 GLU H 1 40 GLU QB 2.500 . 4.000 2.320 1.996 2.827 0.004 7 0 "[ . 1 .]" 2
276 1 40 GLU H 1 40 GLU QG 2.500 . 4.000 3.151 2.047 3.986 . 0 0 "[ . 1 .]" 2
277 1 41 CYS H 1 41 CYS HA 2.500 . 4.000 2.927 2.884 2.957 . 0 0 "[ . 1 .]" 2
278 1 41 CYS H 1 41 CYS QB 2.500 . 4.000 2.649 2.380 3.034 . 0 0 "[ . 1 .]" 2
279 1 39 ASN QD 1 42 THR HA 2.500 . 4.000 4.172 4.087 4.248 0.248 8 0 "[ . 1 .]" 2
280 1 42 THR H 1 42 THR HA 2.500 . 4.000 2.823 2.778 2.867 . 0 0 "[ . 1 .]" 2
281 1 42 THR HA 1 43 LEU H 2.500 . 4.000 3.718 3.636 3.804 . 0 0 "[ . 1 .]" 2
282 1 37 TYR QD 1 43 LEU HA 2.500 . 4.000 3.756 3.445 3.929 . 0 0 "[ . 1 .]" 2
283 1 37 TYR QE 1 43 LEU HA 2.500 . 4.000 4.146 4.066 4.225 0.225 6 0 "[ . 1 .]" 2
284 1 43 LEU H 1 43 LEU HA 2.500 . 4.000 2.959 2.928 2.983 . 0 0 "[ . 1 .]" 2
285 1 43 LEU HA 1 44 CYS H 2.500 . 4.000 3.438 3.366 3.506 . 0 0 "[ . 1 .]" 2
286 1 43 LEU HA 1 46 LYS H 2.500 . 4.000 3.426 3.218 3.660 . 0 0 "[ . 1 .]" 2
287 1 43 LEU QB 1 44 CYS H 2.500 . 4.000 2.290 2.162 2.464 . 0 0 "[ . 1 .]" 2
288 1 43 LEU QD 1 44 CYS H 2.500 . 4.000 3.825 3.733 3.944 . 0 0 "[ . 1 .]" 2
289 1 37 TYR QD 1 43 LEU QD 2.500 . 4.000 2.675 2.558 2.822 . 0 0 "[ . 1 .]" 2
290 1 37 TYR QE 1 43 LEU QD 2.500 . 4.000 2.478 2.409 2.569 . 0 0 "[ . 1 .]" 2
291 1 43 LEU HG 1 44 CYS H . 3.000 4.000 4.134 4.079 4.195 0.195 5 0 "[ . 1 .]" 2
292 1 37 TYR QD 1 43 LEU HG 2.500 . 4.000 3.606 3.333 3.906 . 0 0 "[ . 1 .]" 2
293 1 43 LEU H 1 45 MET H 2.500 . 4.000 4.002 3.777 4.105 0.105 11 0 "[ . 1 .]" 2
294 1 44 CYS QB 1 45 MET H . 3.000 4.000 3.090 2.965 3.462 0.035 13 0 "[ . 1 .]" 2
295 1 45 MET H 1 45 MET HA 2.500 . 4.000 2.858 2.823 2.910 . 0 0 "[ . 1 .]" 2
296 1 45 MET HA 1 48 ARG H 2.500 . 4.000 3.901 3.699 4.041 0.041 5 0 "[ . 1 .]" 2
297 1 45 MET H 1 45 MET QB 2.500 . 4.000 2.319 2.113 2.456 . 0 0 "[ . 1 .]" 2
298 1 45 MET H 1 45 MET QG 2.500 . 4.000 2.789 2.080 3.979 . 0 0 "[ . 1 .]" 2
299 1 46 LYS HA 1 46 LYS QG 2.500 . 4.000 2.388 2.124 3.119 . 0 0 "[ . 1 .]" 2
300 1 37 TYR QE 1 46 LYS QB 2.500 . 4.000 3.570 3.332 3.818 . 0 0 "[ . 1 .]" 2
301 1 46 LYS H 1 46 LYS QB 2.500 . 4.000 2.065 1.920 2.685 0.080 1 0 "[ . 1 .]" 2
302 1 46 LYS QB 1 47 ILE QG 2.500 . 4.000 4.145 4.082 4.225 0.225 7 0 "[ . 1 .]" 2
303 1 46 LYS QB 1 54 ILE HB 2.500 . 4.000 3.598 3.151 4.015 0.015 7 0 "[ . 1 .]" 2
304 1 46 LYS QB 1 54 ILE QG 2.500 . 4.000 2.283 2.033 2.692 . 0 0 "[ . 1 .]" 2
305 1 37 TYR QD 1 46 LYS QG 2.500 . 4.000 3.352 2.360 4.105 0.105 7 0 "[ . 1 .]" 2
306 1 37 TYR QE 1 46 LYS QG 2.500 . 4.000 2.354 2.131 3.227 . 0 0 "[ . 1 .]" 2
307 1 45 MET H 1 46 LYS H 2.500 . 4.000 2.615 2.315 2.773 . 0 0 "[ . 1 .]" 2
308 1 46 LYS H 1 47 ILE H 2.500 . 4.000 2.888 2.728 3.008 . 0 0 "[ . 1 .]" 2
309 1 43 LEU QB 1 47 ILE HA 2.500 . 4.000 4.313 4.230 4.399 0.399 6 0 "[ . 1 .]" 2
310 1 43 LEU QD 1 47 ILE HA 2.500 . 4.000 4.174 4.084 4.299 0.299 2 0 "[ . 1 .]" 2
311 1 47 ILE H 1 47 ILE HA 2.500 . 4.000 2.553 2.477 2.605 . 0 0 "[ . 1 .]" 2
312 1 47 ILE HA 1 48 ARG H 2.500 . 4.000 3.444 3.406 3.524 . 0 0 "[ . 1 .]" 2
313 1 47 ILE HA 1 50 GLY H 2.500 . 4.000 4.153 4.074 4.201 0.201 11 0 "[ . 1 .]" 2
314 1 47 ILE HA 1 52 HIS H 2.500 . 4.000 3.561 3.389 4.129 0.129 3 0 "[ . 1 .]" 2
315 1 47 ILE HA 1 54 ILE QG 2.500 . 4.000 3.538 3.234 3.985 . 0 0 "[ . 1 .]" 2
316 1 47 ILE H 1 47 ILE QG 2.500 . 4.000 3.820 3.748 3.895 . 0 0 "[ . 1 .]" 2
317 1 48 ARG HA 1 48 ARG QB 2.500 . 4.000 2.364 2.182 2.426 . 0 0 "[ . 1 .]" 2
318 1 48 ARG HA 1 48 ARG QG 2.500 . 4.000 2.658 2.328 3.399 . 0 0 "[ . 1 .]" 2
319 1 48 ARG H 1 48 ARG HA 2.500 . 4.000 2.835 2.803 2.898 . 0 0 "[ . 1 .]" 2
320 1 48 ARG HA 1 49 GLU H 2.500 . 4.000 3.481 3.076 3.570 . 0 0 "[ . 1 .]" 2
321 1 48 ARG H 1 48 ARG QB 2.500 . 4.000 2.315 2.081 2.644 . 0 0 "[ . 1 .]" 2
322 1 48 ARG H 1 48 ARG QG 2.500 . 4.000 3.123 2.172 4.003 0.003 14 0 "[ . 1 .]" 2
323 1 47 ILE H 1 48 ARG H 2.500 . 4.000 2.478 2.379 2.595 . 0 0 "[ . 1 .]" 2
324 1 48 ARG H 1 49 GLU H 2.500 . 4.000 2.493 2.352 2.657 . 0 0 "[ . 1 .]" 2
325 1 49 GLU HA 1 51 GLY H 2.500 . 4.000 3.298 2.770 3.884 . 0 0 "[ . 1 .]" 2
326 1 49 GLU QB 1 50 GLY H 2.500 . 4.000 3.962 3.656 4.036 0.036 3 0 "[ . 1 .]" 2
327 1 50 GLY H 1 51 GLY H 2.500 . 4.000 2.304 2.181 2.366 . 0 0 "[ . 1 .]" 2
328 1 52 HIS QB 1 53 ASN H 2.500 . 4.000 2.631 2.030 3.853 . 0 0 "[ . 1 .]" 2
329 1 52 HIS QB 1 54 ILE QG 2.500 . 4.000 3.933 3.342 4.105 0.105 11 0 "[ . 1 .]" 2
330 1 52 HIS H 1 53 ASN H 2.500 . 4.000 3.979 2.904 4.088 0.088 15 0 "[ . 1 .]" 2
331 1 47 ILE QG 1 53 ASN HA 2.500 . 4.000 2.723 1.982 3.590 0.018 2 0 "[ . 1 .]" 2
332 1 52 HIS H 1 53 ASN HA 2.500 . 4.000 4.066 4.009 4.180 0.180 3 0 "[ . 1 .]" 2
333 1 53 ASN H 1 53 ASN HA 2.500 . 4.000 2.831 2.345 2.893 . 0 0 "[ . 1 .]" 2
334 1 53 ASN QB 1 54 ILE H 2.500 . 4.000 3.831 3.603 4.016 0.016 11 0 "[ . 1 .]" 2
335 1 43 LEU QD 1 54 ILE HA 2.500 . 4.000 4.301 4.116 4.387 0.387 11 0 "[ . 1 .]" 2
336 1 54 ILE HA 1 54 ILE QG 2.500 . 4.000 2.544 2.341 2.707 . 0 0 "[ . 1 .]" 2
337 1 47 ILE QG 1 54 ILE HB 2.500 . 4.000 2.059 1.939 3.082 0.061 7 0 "[ . 1 .]" 2
338 1 54 ILE H 1 54 ILE HB 2.500 . 4.000 2.547 2.461 2.630 . 0 0 "[ . 1 .]" 2
339 1 33 ASP H 1 54 ILE QG 2.500 . 4.000 4.063 3.827 4.182 0.182 12 0 "[ . 1 .]" 2
340 1 37 TYR QE 1 54 ILE QG 2.500 . 4.000 2.712 2.383 3.234 . 0 0 "[ . 1 .]" 2
341 1 53 ASN H 1 54 ILE H 2.500 . 4.000 3.935 3.530 4.034 0.034 15 0 "[ . 1 .]" 2
342 1 55 LYS HA 1 56 ILE H 2.500 . 4.000 2.217 2.065 2.396 . 0 0 "[ . 1 .]" 2
343 1 55 LYS H 1 55 LYS QB 2.500 . 4.000 3.002 2.523 3.159 . 0 0 "[ . 1 .]" 2
344 1 32 SER H 1 55 LYS H 2.500 . 4.000 4.071 3.910 4.142 0.142 2 0 "[ . 1 .]" 2
345 1 32 SER H 1 56 ILE HA 2.500 . 4.000 2.571 2.152 2.831 . 0 0 "[ . 1 .]" 2
346 1 56 ILE H 1 56 ILE HA 2.500 . 4.000 2.796 2.747 2.867 . 0 0 "[ . 1 .]" 2
347 1 56 ILE HA 1 58 ARG H 2.500 . 4.000 4.020 3.906 4.057 0.057 13 0 "[ . 1 .]" 2
348 1 9 TYR QD 1 57 ILE HA 2.500 . 4.000 3.443 3.087 3.751 . 0 0 "[ . 1 .]" 2
349 1 9 TYR QE 1 57 ILE HA 2.500 . 4.000 2.280 1.963 2.962 0.037 9 0 "[ . 1 .]" 2
350 1 57 ILE HA 1 57 ILE QG 2.500 . 4.000 2.359 2.272 2.434 . 0 0 "[ . 1 .]" 2
351 1 57 ILE H 1 57 ILE HA 2.500 . 4.000 2.844 2.804 2.931 . 0 0 "[ . 1 .]" 2
352 1 57 ILE HA 1 58 ARG H 2.500 . 4.000 3.285 3.193 3.364 . 0 0 "[ . 1 .]" 2
353 1 57 ILE H 1 57 ILE HB 2.500 . 4.000 2.614 2.556 2.660 . 0 0 "[ . 1 .]" 2
354 1 57 ILE H 1 57 ILE QG . 3.000 4.000 3.966 3.899 4.002 0.002 8 0 "[ . 1 .]" 2
355 1 58 ARG HA 1 58 ARG HB2 2.500 . 4.000 2.906 2.747 2.990 . 0 0 "[ . 1 .]" 2
356 1 58 ARG HA 1 58 ARG QG 2.500 . 4.000 2.593 2.230 2.861 . 0 0 "[ . 1 .]" 2
357 1 58 ARG H 1 58 ARG HA 2.500 . 4.000 2.764 2.707 2.814 . 0 0 "[ . 1 .]" 2
358 1 57 ILE QG 1 58 ARG HB2 2.500 . 4.000 4.115 3.723 4.273 0.273 2 0 "[ . 1 .]" 2
359 1 58 ARG HB2 1 58 ARG QG 2.500 . 4.000 2.137 2.114 2.161 . 0 0 "[ . 1 .]" 2
360 1 58 ARG HB2 1 59 ASN H 2.500 . 4.000 4.073 3.743 4.528 0.528 14 1 "[ . 1 +.]" 2
361 1 58 ARG H 1 58 ARG QG 2.500 . 4.000 3.622 3.237 4.040 0.040 4 0 "[ . 1 .]" 2
362 1 58 ARG QG 1 59 ASN H 2.500 . 4.000 3.924 3.684 4.035 0.035 12 0 "[ . 1 .]" 2
363 1 30 CYS H 1 58 ARG H 2.500 . 4.000 3.117 2.946 3.229 . 0 0 "[ . 1 .]" 2
364 1 10 ARG QH1 1 59 ASN HA 2.500 . 4.000 3.644 3.319 3.861 . 0 0 "[ . 1 .]" 2
365 1 29 VAL HB 1 59 ASN HA 2.500 . 4.000 3.445 3.189 3.674 . 0 0 "[ . 1 .]" 2
366 1 30 CYS H 1 59 ASN HA 2.500 . 4.000 4.044 3.807 4.152 0.152 5 0 "[ . 1 .]" 2
367 1 59 ASN H 1 59 ASN HA 2.500 . 4.000 2.838 2.795 2.894 . 0 0 "[ . 1 .]" 2
368 1 58 ARG QG 1 59 ASN QB 2.500 . 4.000 5.609 5.440 5.774 1.774 14 15 [**-**********+*] 2
369 1 59 ASN QB 1 60 GLY H 2.500 . 4.000 3.723 3.174 3.970 . 0 0 "[ . 1 .]" 2
370 1 30 CYS H 1 60 GLY H 2.500 . 4.000 3.805 2.993 4.044 0.044 1 0 "[ . 1 .]" 2
371 1 59 ASN H 1 60 GLY H 2.500 . 4.000 2.880 2.501 4.129 0.129 14 0 "[ . 1 .]" 2
372 1 62 CYS H 1 62 CYS HA 2.500 . 4.000 2.817 2.212 2.909 . 0 0 "[ . 1 .]" 2
373 1 5 LEU HA 1 5 LEU QB 3.000 2.500 4.500 2.369 2.258 2.510 0.242 3 0 "[ . 1 .]" 2
374 1 8 LYS H 1 9 TYR H 3.000 2.500 4.500 3.793 2.425 4.539 0.075 7 0 "[ . 1 .]" 2
375 1 9 TYR H 1 10 ARG H 3.000 2.500 4.500 4.355 4.035 4.600 0.100 2 0 "[ . 1 .]" 2
376 1 10 ARG H 1 10 ARG QG 3.000 2.500 4.500 3.074 2.400 4.105 0.100 14 0 "[ . 1 .]" 2
377 1 19 LEU HA 1 19 LEU QB 3.000 2.500 4.500 2.447 2.272 2.497 0.228 2 0 "[ . 1 .]" 2
378 1 20 PRO QB 1 21 GLY H 3.000 2.500 4.500 3.405 2.457 3.763 0.043 12 0 "[ . 1 .]" 2
379 1 27 ASN HA 1 29 VAL QG 3.000 2.500 4.500 4.495 4.247 4.637 0.137 14 0 "[ . 1 .]" 2
380 1 26 PHE QD 1 28 PRO QG 3.000 2.500 4.500 2.727 2.414 3.190 0.086 2 0 "[ . 1 .]" 2
381 1 35 SER QB 1 37 TYR QD 3.000 2.500 4.500 2.928 2.668 3.199 . 0 0 "[ . 1 .]" 2
382 1 40 GLU HA 1 44 CYS H 3.000 2.500 4.500 2.799 2.439 3.285 0.061 8 0 "[ . 1 .]" 2
383 1 45 MET HA 1 46 LYS H 3.000 2.500 4.500 3.540 3.459 3.654 . 0 0 "[ . 1 .]" 2
384 1 37 TYR QD 1 46 LYS QB 3.000 2.500 4.500 3.960 3.591 4.385 . 0 0 "[ . 1 .]" 2
385 1 46 LYS QG 1 47 ILE H 3.000 2.500 4.500 4.262 3.971 4.452 . 0 0 "[ . 1 .]" 2
386 1 47 ILE HB 1 48 ARG H 3.000 2.500 4.500 3.939 3.826 4.026 . 0 0 "[ . 1 .]" 2
387 1 62 CYS HA 1 62 CYS QB 3.000 2.500 4.500 2.463 2.440 2.488 0.060 5 0 "[ . 1 .]" 2
388 1 5 LEU QB 1 6 PHE H 4.500 3.000 6.000 3.461 2.910 3.926 0.090 11 0 "[ . 1 .]" 2
389 1 8 LYS HA 1 8 LYS QG 4.500 3.000 6.000 3.291 2.805 3.534 0.195 6 0 "[ . 1 .]" 2
390 1 40 GLU HA 1 43 LEU H 4.500 3.000 6.000 4.191 3.798 4.554 . 0 0 "[ . 1 .]" 2
391 1 46 LYS HA 1 48 ARG H 4.500 3.000 6.000 4.593 4.492 4.696 . 0 0 "[ . 1 .]" 2
392 1 49 GLU H 1 49 GLU QB 4.500 3.000 6.000 3.391 3.080 3.515 . 0 0 "[ . 1 .]" 2
393 1 2 GLN HA 1 2 GLN QB 2.500 . 4.000 2.333 2.164 2.524 . 0 0 "[ . 1 .]" 2
394 1 2 GLN H 1 2 GLN QB 2.500 . 4.000 2.606 2.175 3.414 . 0 0 "[ . 1 .]" 2
395 1 39 ASN H 1 39 ASN HA 2.500 . 4.000 2.519 2.111 2.868 . 0 0 "[ . 1 .]" 2
396 1 46 LYS HA 1 46 LYS QB 2.500 . 4.000 2.489 2.315 2.527 . 0 0 "[ . 1 .]" 2
397 1 49 GLU HA 1 49 GLU QB 2.500 . 4.000 2.212 2.137 2.422 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 62 CYS 0.000 0.000 . 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 14 CYS SG 1 44 CYS SG 2.000 . 2.500 2.030 2.008 2.053 . 0 0 "[ . 1 .]" 3
2 1 22 CYS SG 1 41 CYS SG 2.000 . 2.500 2.039 2.014 2.067 . 0 0 "[ . 1 .]" 3
3 1 30 CYS SG 1 62 CYS SG 2.000 . 2.500 2.027 2.015 2.037 . 0 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 87
_Distance_constraint_stats_list.Viol_total 103.382
_Distance_constraint_stats_list.Viol_max 0.726
_Distance_constraint_stats_list.Viol_rms 0.0529
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0170
_Distance_constraint_stats_list.Viol_average_violations_only 0.0792
_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 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 8 LYS 0.052 0.026 13 0 "[ . 1 .]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 10 ARG 0.171 0.070 12 0 "[ . 1 .]"
1 11 THR 0.000 0.000 . 0 "[ . 1 .]"
1 13 ASN 1.418 0.212 4 0 "[ . 1 .]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 15 SER 0.000 0.000 . 0 "[ . 1 .]"
1 16 GLN 0.403 0.064 2 0 "[ . 1 .]"
1 18 ARG 1.194 0.726 3 1 "[ + . 1 .]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 39 ASN 0.327 0.088 5 0 "[ . 1 .]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 42 THR 0.327 0.088 5 0 "[ . 1 .]"
1 43 LEU 1.646 0.216 15 0 "[ . 1 .]"
1 44 CYS 2.087 0.216 15 0 "[ . 1 .]"
1 45 MET 0.000 0.000 . 0 "[ . 1 .]"
1 46 LYS 0.887 0.109 14 0 "[ . 1 .]"
1 47 ILE 0.478 0.107 7 0 "[ . 1 .]"
1 48 ARG 0.035 0.014 6 0 "[ . 1 .]"
1 49 GLU 1.340 0.109 14 0 "[ . 1 .]"
1 50 GLY 0.489 0.100 5 0 "[ . 1 .]"
1 55 LYS 0.052 0.026 13 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 GLN QB 1 10 ARG QG 4.500 3.000 6.000 4.418 3.501 5.951 . 0 0 "[ . 1 .]" 4
2 1 8 LYS HA 1 55 LYS QG 4.500 3.000 6.000 5.431 4.071 6.026 0.026 13 0 "[ . 1 .]" 4
3 1 10 ARG QB 1 13 ASN QD 4.500 3.000 6.000 5.709 4.443 6.070 0.070 12 0 "[ . 1 .]" 4
4 1 11 THR HA 1 55 LYS QG 4.500 3.000 6.000 5.054 4.263 5.546 . 0 0 "[ . 1 .]" 4
5 1 13 ASN HA 1 13 ASN QD 4.500 3.000 6.000 2.951 2.788 3.516 0.212 4 0 "[ . 1 .]" 4
6 1 14 CYS QB 1 15 SER H 4.500 3.000 6.000 3.737 3.064 4.019 . 0 0 "[ . 1 .]" 4
7 1 16 GLN QB 1 16 GLN QE 4.500 3.000 6.000 3.265 2.936 3.657 0.064 2 0 "[ . 1 .]" 4
8 1 18 ARG H 1 18 ARG QG 4.500 3.000 6.000 3.702 2.274 4.141 0.726 3 1 "[ + . 1 .]" 4
9 1 31 GLY QA 1 43 LEU QD 4.500 3.000 6.000 3.905 3.647 4.178 . 0 0 "[ . 1 .]" 4
10 1 39 ASN QD 1 42 THR H 4.500 3.000 6.000 3.219 2.912 3.931 0.088 5 0 "[ . 1 .]" 4
11 1 40 GLU HA 1 42 THR H 4.500 3.000 6.000 4.189 3.522 4.457 . 0 0 "[ . 1 .]" 4
12 1 41 CYS HA 1 42 THR H 4.500 3.000 6.000 3.368 3.172 3.486 . 0 0 "[ . 1 .]" 4
13 1 43 LEU QB 1 47 ILE QG 4.500 3.000 6.000 3.843 3.440 4.210 . 0 0 "[ . 1 .]" 4
14 1 44 CYS HA 1 45 MET H 4.500 3.000 6.000 3.365 3.225 3.429 . 0 0 "[ . 1 .]" 4
15 1 44 CYS HA 1 47 ILE HB 4.500 3.000 6.000 2.987 2.893 3.135 0.107 7 0 "[ . 1 .]" 4
16 1 43 LEU HG 1 44 CYS QB 4.500 3.000 6.000 6.069 5.807 6.216 0.216 15 0 "[ . 1 .]" 4
17 1 45 MET HA 1 47 ILE H 4.500 3.000 6.000 4.328 4.243 4.489 . 0 0 "[ . 1 .]" 4
18 1 45 MET HA 1 48 ARG QB 4.500 3.000 6.000 3.566 3.026 4.717 . 0 0 "[ . 1 .]" 4
19 1 45 MET HA 1 49 GLU H 4.500 3.000 6.000 4.509 3.590 5.062 . 0 0 "[ . 1 .]" 4
20 1 46 LYS HA 1 47 ILE H 4.500 3.000 6.000 3.595 3.534 3.635 . 0 0 "[ . 1 .]" 4
21 1 46 LYS HA 1 49 GLU QB 4.500 3.000 6.000 6.040 5.879 6.109 0.109 14 0 "[ . 1 .]" 4
22 1 43 LEU QD 1 46 LYS QG 4.500 3.000 6.000 3.346 2.970 3.990 0.030 9 0 "[ . 1 .]" 4
23 1 44 CYS H 1 46 LYS H 4.500 3.000 6.000 4.417 4.132 4.691 . 0 0 "[ . 1 .]" 4
24 1 47 ILE HA 1 49 GLU H 4.500 3.000 6.000 4.291 3.445 4.693 . 0 0 "[ . 1 .]" 4
25 1 48 ARG QB 1 48 ARG QG 2.500 . 4.000 2.054 1.986 2.091 0.014 6 0 "[ . 1 .]" 4
26 1 49 GLU HA 1 50 GLY H 4.500 3.000 6.000 2.977 2.900 3.063 0.100 5 0 "[ . 1 .]" 4
27 1 9 TYR QE 1 55 LYS QB 4.500 3.000 6.000 4.740 3.996 5.535 . 0 0 "[ . 1 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 104
_Distance_constraint_stats_list.Viol_total 66.801
_Distance_constraint_stats_list.Viol_max 0.285
_Distance_constraint_stats_list.Viol_rms 0.0322
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0148
_Distance_constraint_stats_list.Viol_average_violations_only 0.0428
_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 29 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 31 GLY 1.236 0.147 13 0 "[ . 1 .]"
1 32 SER 0.256 0.109 12 0 "[ . 1 .]"
1 35 SER 1.236 0.147 13 0 "[ . 1 .]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 42 THR 0.841 0.066 7 0 "[ . 1 .]"
1 43 LEU 0.604 0.054 3 0 "[ . 1 .]"
1 44 CYS 0.405 0.074 3 0 "[ . 1 .]"
1 45 MET 1.111 0.285 12 0 "[ . 1 .]"
1 46 LYS 0.841 0.066 7 0 "[ . 1 .]"
1 47 ILE 0.604 0.054 3 0 "[ . 1 .]"
1 48 ARG 0.405 0.074 3 0 "[ . 1 .]"
1 49 GLU 1.111 0.285 12 0 "[ . 1 .]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 55 LYS 0.256 0.109 12 0 "[ . 1 .]"
1 57 ILE 0.000 0.000 . 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 29 VAL N 1 37 TYR O 2.800 2.500 3.300 2.721 2.653 2.799 . 0 0 "[ . 1 .]" 5
2 1 29 VAL H 1 37 TYR O 2.000 . 2.400 1.847 1.772 1.916 . 0 0 "[ . 1 .]" 5
3 1 31 GLY N 1 35 SER O 2.800 2.500 3.300 2.847 2.640 2.911 . 0 0 "[ . 1 .]" 5
4 1 31 GLY H 1 35 SER O 2.000 . 2.400 2.410 1.843 2.547 0.147 13 0 "[ . 1 .]" 5
5 1 32 SER N 1 55 LYS O 2.800 2.500 3.300 3.226 3.000 3.308 0.008 12 0 "[ . 1 .]" 5
6 1 32 SER H 1 55 LYS O 2.000 . 2.400 2.363 2.048 2.509 0.109 12 0 "[ . 1 .]" 5
7 1 29 VAL O 1 37 TYR N 2.800 2.500 3.300 2.852 2.758 3.043 . 0 0 "[ . 1 .]" 5
8 1 29 VAL O 1 37 TYR H 2.000 . 2.400 1.929 1.824 2.116 . 0 0 "[ . 1 .]" 5
9 1 42 THR O 1 46 LYS N 2.800 2.500 3.300 3.320 3.110 3.362 0.062 2 0 "[ . 1 .]" 5
10 1 42 THR O 1 46 LYS H 2.000 . 2.400 2.408 2.198 2.466 0.066 7 0 "[ . 1 .]" 5
11 1 43 LEU O 1 47 ILE N 2.800 2.500 3.300 2.471 2.451 2.484 0.049 1 0 "[ . 1 .]" 5
12 1 43 LEU O 1 47 ILE H 2.000 . 2.400 1.592 1.546 1.636 0.054 3 0 "[ . 1 .]" 5
13 1 44 CYS O 1 48 ARG N 2.800 2.500 3.300 3.263 3.056 3.352 0.052 11 0 "[ . 1 .]" 5
14 1 44 CYS O 1 48 ARG H 2.000 . 2.400 2.373 2.192 2.474 0.074 3 0 "[ . 1 .]" 5
15 1 45 MET O 1 49 GLU N 2.800 2.500 3.300 3.286 2.869 3.413 0.113 5 0 "[ . 1 .]" 5
16 1 45 MET O 1 49 GLU H 2.000 . 2.400 2.347 1.910 2.685 0.285 12 0 "[ . 1 .]" 5
17 1 46 LYS O 1 50 GLY N 2.800 2.500 3.300 2.754 2.705 2.819 . 0 0 "[ . 1 .]" 5
18 1 46 LYS O 1 50 GLY H 2.000 . 2.400 2.101 1.824 2.234 . 0 0 "[ . 1 .]" 5
19 1 30 CYS O 1 57 ILE N 2.800 2.500 3.300 2.640 2.606 2.705 . 0 0 "[ . 1 .]" 5
20 1 30 CYS O 1 57 ILE H 2.000 . 2.400 1.757 1.679 1.858 . 0 0 "[ . 1 .]" 5
stop_
save_
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