NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652806 |
6wqj   |
30748 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6wqj
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 222
_Distance_constraint_stats_list.Viol_count 252
_Distance_constraint_stats_list.Viol_total 226.454
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0449
_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 PCA 0.030 0.030 4 0 "[ . 1 . 2]"
1 2 LYS 1.029 0.096 11 0 "[ . 1 . 2]"
1 3 GLU 2.360 0.147 12 0 "[ . 1 . 2]"
1 4 THR 3.626 0.147 12 0 "[ . 1 . 2]"
1 5 GLU 0.144 0.043 4 0 "[ . 1 . 2]"
1 6 ILE 1.684 0.111 16 0 "[ . 1 . 2]"
1 7 CYS 1.565 0.111 16 0 "[ . 1 . 2]"
1 8 ARG 1.073 0.108 10 0 "[ . 1 . 2]"
1 9 GLN 0.000 0.000 20 0 "[ . 1 . 2]"
1 10 TRP 1.135 0.120 9 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 1.038 0.108 10 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 MET 0.003 0.003 1 0 "[ . 1 . 2]"
1 15 LYS 0.032 0.032 13 0 "[ . 1 . 2]"
1 16 PRO 0.213 0.051 7 0 "[ . 1 . 2]"
1 17 GLN 0.376 0.066 5 0 "[ . 1 . 2]"
1 18 GLY 0.428 0.073 7 0 "[ . 1 . 2]"
1 19 GLY 0.269 0.073 7 0 "[ . 1 . 2]"
1 20 GLU 0.218 0.100 11 0 "[ . 1 . 2]"
1 21 GLU 0.218 0.100 11 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.807 0.089 14 0 "[ . 1 . 2]"
1 24 ARG 0.042 0.038 20 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.134 0.027 12 0 "[ . 1 . 2]"
1 27 GLN 0.030 0.020 7 0 "[ . 1 . 2]"
1 28 GLU 0.161 0.161 1 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.347 0.086 12 0 "[ . 1 . 2]"
1 33 LEU 0.347 0.086 12 0 "[ . 1 . 2]"
1 34 ARG 0.417 0.096 18 0 "[ . 1 . 2]"
1 35 ASP 0.417 0.096 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU HA 1 4 THR H 2.535 . 3.270 3.369 3.299 3.417 0.147 12 0 "[ . 1 . 2]" 1
2 1 4 THR H 1 4 THR MG 2.765 . 3.730 3.658 2.630 3.773 0.043 12 0 "[ . 1 . 2]" 1
3 1 4 THR MG 1 5 GLU H 3.250 . 4.700 3.732 3.420 4.170 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR HB 1 5 GLU H 2.835 . 3.870 2.602 2.268 3.522 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR HA 1 4 THR HB 2.360 . 2.920 2.976 2.624 3.007 0.087 13 0 "[ . 1 . 2]" 1
6 1 4 THR HA 1 4 THR MG 2.540 . 3.280 2.293 2.180 2.419 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU H 1 5 GLU QG 2.875 . 3.950 3.432 2.112 3.993 0.043 4 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU QB 2.445 . 3.090 2.269 2.140 2.529 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU HA 1 5 GLU QG 2.835 . 3.870 2.700 2.398 3.041 . 0 0 "[ . 1 . 2]" 1
10 1 34 ARG HA 1 34 ARG QD 3.055 . 4.310 3.662 1.962 4.236 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS HA 1 2 LYS QD 3.295 . 4.790 3.405 1.882 4.242 . 0 0 "[ . 1 . 2]" 1
12 1 34 ARG HB3 1 35 ASP H 3.195 . 4.590 3.524 1.804 4.462 . 0 0 "[ . 1 . 2]" 1
13 1 34 ARG HA 1 35 ASP H 2.605 . 3.410 2.556 2.051 3.506 0.096 18 0 "[ . 1 . 2]" 1
14 1 18 GLY HA3 1 19 GLY H 2.600 . 3.400 2.585 2.083 3.438 0.038 4 0 "[ . 1 . 2]" 1
15 1 18 GLY HA2 1 19 GLY H 2.600 . 3.400 2.813 2.111 3.473 0.073 7 0 "[ . 1 . 2]" 1
16 1 7 CYS HA 1 10 TRP H 3.060 . 4.320 3.882 3.589 4.221 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE HG13 1 6 ILE MG 3.010 . 4.220 3.088 2.411 3.223 . 0 0 "[ . 1 . 2]" 1
18 1 6 ILE H 1 6 ILE MD 3.085 . 4.370 3.255 2.041 3.695 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE MD 1 7 CYS H 2.885 . 3.970 4.033 3.928 4.081 0.111 16 0 "[ . 1 . 2]" 1
20 1 6 ILE HB 1 7 CYS H 2.980 . 4.160 2.504 2.072 3.748 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE H 1 6 ILE HB 2.780 . 3.760 2.754 2.383 3.681 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE H 1 6 ILE MG 3.055 . 4.310 3.593 2.349 3.810 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 6 ILE HG12 3.005 . 4.210 3.209 2.013 4.015 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG H 1 8 ARG QB 2.465 . 3.130 2.289 2.140 2.353 . 0 0 "[ . 1 . 2]" 1
25 1 7 CYS HB3 1 8 ARG H 3.095 . 4.390 2.541 2.382 2.855 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU HA 1 8 ARG H 3.455 . 5.110 3.613 3.351 3.965 . 0 0 "[ . 1 . 2]" 1
27 1 33 LEU H 1 33 LEU MD2 3.480 . 5.160 3.914 2.148 4.249 . 0 0 "[ . 1 . 2]" 1
28 1 33 LEU H 1 33 LEU MD1 3.480 . 5.160 4.028 3.557 4.238 . 0 0 "[ . 1 . 2]" 1
29 1 33 LEU H 1 33 LEU HB3 2.790 . 3.780 2.679 2.303 3.642 . 0 0 "[ . 1 . 2]" 1
30 1 33 LEU H 1 33 LEU HB2 2.790 . 3.780 2.517 2.426 2.687 . 0 0 "[ . 1 . 2]" 1
31 1 33 LEU HA 1 33 LEU MD1 3.065 . 4.330 2.304 2.018 3.854 . 0 0 "[ . 1 . 2]" 1
32 1 33 LEU HA 1 33 LEU MD2 3.065 . 4.330 3.620 2.068 3.922 . 0 0 "[ . 1 . 2]" 1
33 1 33 LEU HB2 1 33 LEU MD1 2.930 . 4.060 2.434 2.251 3.220 . 0 0 "[ . 1 . 2]" 1
34 1 33 LEU HB2 1 33 LEU MD2 2.930 . 4.060 2.465 2.332 3.205 . 0 0 "[ . 1 . 2]" 1
35 1 33 LEU HB3 1 33 LEU MD1 2.930 . 4.060 3.040 2.350 3.219 . 0 0 "[ . 1 . 2]" 1
36 1 33 LEU HB3 1 33 LEU MD2 2.930 . 4.060 2.390 2.207 3.219 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MD 1 6 ILE MG 2.770 . 3.740 2.139 1.840 3.250 . 0 0 "[ . 1 . 2]" 1
38 1 10 TRP H 1 10 TRP HB2 2.665 . 3.530 2.375 2.144 2.516 . 0 0 "[ . 1 . 2]" 1
39 1 10 TRP H 1 10 TRP HB3 2.665 . 3.530 2.706 2.494 3.533 0.003 20 0 "[ . 1 . 2]" 1
40 1 10 TRP HB3 1 11 CYS H 2.905 . 4.010 2.406 2.240 3.197 . 0 0 "[ . 1 . 2]" 1
41 1 10 TRP HB2 1 11 CYS H 2.905 . 4.010 3.568 2.722 3.778 . 0 0 "[ . 1 . 2]" 1
42 1 11 CYS H 1 11 CYS HB2 2.905 . 4.010 2.334 2.205 2.453 . 0 0 "[ . 1 . 2]" 1
43 1 11 CYS H 1 11 CYS HB3 2.905 . 4.010 3.563 3.498 3.628 . 0 0 "[ . 1 . 2]" 1
44 1 10 TRP HA 1 10 TRP HE3 3.140 . 4.480 4.359 3.045 4.600 0.120 9 0 "[ . 1 . 2]" 1
45 1 10 TRP HA 1 10 TRP HD1 2.910 . 4.020 3.204 2.922 4.043 0.023 20 0 "[ . 1 . 2]" 1
46 1 11 CYS HB2 1 12 GLN H 3.485 . 5.170 2.941 2.585 3.454 . 0 0 "[ . 1 . 2]" 1
47 1 11 CYS H 1 12 GLN H 3.395 . 4.990 2.556 2.367 2.702 . 0 0 "[ . 1 . 2]" 1
48 1 12 GLN H 1 12 GLN HG3 3.560 . 5.320 4.412 3.964 4.495 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLU QB 1 6 ILE H 2.565 . 3.330 2.360 2.187 2.628 . 0 0 "[ . 1 . 2]" 1
50 1 12 GLN H 1 13 VAL H 3.405 . 5.010 2.683 2.473 2.816 . 0 0 "[ . 1 . 2]" 1
51 1 13 VAL H 1 13 VAL MG1 3.390 . 4.980 3.087 2.093 3.799 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL H 1 13 VAL MG2 3.390 . 4.980 2.707 2.044 3.858 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL H 1 13 VAL HB 2.860 . 3.920 2.732 2.441 3.725 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL HA 1 13 VAL MG1 2.750 . 3.700 2.668 2.346 3.250 . 0 0 "[ . 1 . 2]" 1
55 1 13 VAL HA 1 13 VAL MG2 2.750 . 3.700 2.509 2.340 3.234 . 0 0 "[ . 1 . 2]" 1
56 1 17 GLN H 1 17 GLN QB 2.665 . 3.530 3.256 2.647 3.466 . 0 0 "[ . 1 . 2]" 1
57 1 17 GLN QB 1 18 GLY H 3.545 . 5.290 2.985 1.863 3.952 . 0 0 "[ . 1 . 2]" 1
58 1 17 GLN H 1 18 GLY H 3.120 . 4.440 3.531 2.101 4.506 0.066 5 0 "[ . 1 . 2]" 1
59 1 3 GLU H 1 4 THR H 2.850 . 3.900 2.446 2.282 2.700 . 0 0 "[ . 1 . 2]" 1
60 1 3 GLU H 1 3 GLU QG 2.875 . 3.950 2.692 1.917 4.030 0.080 14 0 "[ . 1 . 2]" 1
61 1 3 GLU HA 1 3 GLU QG 2.780 . 3.760 2.741 2.372 3.543 . 0 0 "[ . 1 . 2]" 1
62 1 3 GLU QG 1 4 THR H 2.975 . 4.150 3.693 2.384 4.161 0.011 19 0 "[ . 1 . 2]" 1
63 1 2 LYS H 1 2 LYS HB2 2.670 . 3.540 2.451 2.355 2.536 . 0 0 "[ . 1 . 2]" 1
64 1 2 LYS H 1 2 LYS HB3 2.670 . 3.540 3.412 2.444 3.592 0.052 17 0 "[ . 1 . 2]" 1
65 1 2 LYS HA 1 3 GLU H 2.655 . 3.510 3.487 3.351 3.558 0.048 9 0 "[ . 1 . 2]" 1
66 1 1 PCA HA 1 2 LYS H 2.630 . 3.460 3.127 2.117 3.490 0.030 4 0 "[ . 1 . 2]" 1
67 1 7 CYS H 1 8 ARG H 2.970 . 4.140 2.918 2.671 3.086 . 0 0 "[ . 1 . 2]" 1
68 1 9 GLN H 1 9 GLN QB 2.590 . 3.380 2.304 2.200 2.533 . 0 0 "[ . 1 . 2]" 1
69 1 8 ARG QB 1 9 GLN H 2.745 . 3.690 2.676 2.468 2.972 . 0 0 "[ . 1 . 2]" 1
70 1 9 GLN H 1 10 TRP H 3.200 . 4.600 2.740 2.637 2.826 . 0 0 "[ . 1 . 2]" 1
71 1 8 ARG H 1 9 GLN H 3.155 . 4.510 2.596 2.457 2.691 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLN QB 1 10 TRP H 2.575 . 3.350 2.645 2.421 2.906 . 0 0 "[ . 1 . 2]" 1
73 1 15 LYS H 1 15 LYS HG2 3.650 . 5.500 3.935 2.254 5.147 . 0 0 "[ . 1 . 2]" 1
74 1 15 LYS H 1 15 LYS HG3 3.650 . 5.500 4.265 3.027 4.828 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLU H 1 20 GLU QG 3.250 . 4.700 3.048 2.027 4.055 . 0 0 "[ . 1 . 2]" 1
76 1 32 ARG H 1 32 ARG HG2 3.420 . 5.040 4.167 2.097 4.656 . 0 0 "[ . 1 . 2]" 1
77 1 32 ARG H 1 32 ARG HG3 3.420 . 5.040 3.988 2.177 4.545 . 0 0 "[ . 1 . 2]" 1
78 1 32 ARG HA 1 32 ARG QD 3.130 . 4.460 3.462 2.020 4.258 . 0 0 "[ . 1 . 2]" 1
79 1 24 ARG QB 1 25 CYS H 2.490 . 3.180 2.388 2.179 2.631 . 0 0 "[ . 1 . 2]" 1
80 1 31 GLU H 1 31 GLU HG3 3.280 . 4.760 4.124 2.414 4.505 . 0 0 "[ . 1 . 2]" 1
81 1 31 GLU H 1 31 GLU HG2 3.280 . 4.760 4.221 2.364 4.614 . 0 0 "[ . 1 . 2]" 1
82 1 31 GLU H 1 31 GLU QB 2.515 . 3.230 2.262 2.149 2.529 . 0 0 "[ . 1 . 2]" 1
83 1 31 GLU QB 1 32 ARG H 3.020 . 4.240 2.677 2.345 3.171 . 0 0 "[ . 1 . 2]" 1
84 1 30 GLU H 1 31 GLU H 2.980 . 4.160 2.601 2.419 2.743 . 0 0 "[ . 1 . 2]" 1
85 1 29 CYS H 1 29 CYS HB2 2.750 . 3.700 2.365 2.170 2.496 . 0 0 "[ . 1 . 2]" 1
86 1 29 CYS H 1 29 CYS HB3 2.750 . 3.700 2.701 2.553 2.837 . 0 0 "[ . 1 . 2]" 1
87 1 7 CYS HB2 1 8 ARG H 3.095 . 4.390 3.877 3.707 4.081 . 0 0 "[ . 1 . 2]" 1
88 1 24 ARG HA 1 26 GLN H 3.240 . 4.680 4.428 4.231 4.685 0.005 1 0 "[ . 1 . 2]" 1
89 1 23 ARG H 1 23 ARG QB 2.425 . 3.050 2.339 2.140 2.570 . 0 0 "[ . 1 . 2]" 1
90 1 23 ARG H 1 23 ARG HG2 3.255 . 4.710 3.634 2.173 4.542 . 0 0 "[ . 1 . 2]" 1
91 1 23 ARG H 1 23 ARG HG3 3.255 . 4.710 3.679 1.996 4.474 . 0 0 "[ . 1 . 2]" 1
92 1 23 ARG QB 1 24 ARG H 2.355 . 2.910 2.475 2.198 2.757 . 0 0 "[ . 1 . 2]" 1
93 1 24 ARG HA 1 24 ARG QD 3.100 . 4.400 3.388 1.904 4.254 . 0 0 "[ . 1 . 2]" 1
94 1 23 ARG QB 1 23 ARG QD 2.870 . 3.940 2.350 2.078 2.886 . 0 0 "[ . 1 . 2]" 1
95 1 23 ARG H 1 24 ARG H 2.775 . 3.750 2.660 2.489 2.825 . 0 0 "[ . 1 . 2]" 1
96 1 24 ARG H 1 25 CYS H 3.650 . 5.500 2.756 2.636 2.977 . 0 0 "[ . 1 . 2]" 1
97 1 25 CYS H 1 25 CYS HB3 2.870 . 3.940 3.555 3.511 3.616 . 0 0 "[ . 1 . 2]" 1
98 1 25 CYS H 1 25 CYS HB2 2.870 . 3.940 2.300 2.214 2.390 . 0 0 "[ . 1 . 2]" 1
99 1 25 CYS H 1 26 GLN H 2.985 . 4.170 2.822 2.666 3.032 . 0 0 "[ . 1 . 2]" 1
100 1 26 GLN H 1 27 GLN H 3.280 . 4.760 2.707 2.552 2.893 . 0 0 "[ . 1 . 2]" 1
101 1 26 GLN H 1 26 GLN HB2 2.825 . 3.850 2.493 2.359 2.705 . 0 0 "[ . 1 . 2]" 1
102 1 26 GLN H 1 26 GLN HB3 2.825 . 3.850 2.942 2.361 3.635 . 0 0 "[ . 1 . 2]" 1
103 1 27 GLN H 1 27 GLN HG2 3.650 . 5.500 3.761 2.231 4.576 . 0 0 "[ . 1 . 2]" 1
104 1 27 GLN H 1 28 GLU H 3.030 . 4.260 2.757 2.668 2.914 . 0 0 "[ . 1 . 2]" 1
105 1 28 GLU H 1 28 GLU HB2 2.815 . 3.830 2.628 1.968 3.672 . 0 0 "[ . 1 . 2]" 1
106 1 28 GLU H 1 28 GLU HB3 2.815 . 3.830 3.414 2.632 3.627 . 0 0 "[ . 1 . 2]" 1
107 1 28 GLU HB3 1 29 CYS H 3.140 . 4.480 3.619 2.615 4.158 . 0 0 "[ . 1 . 2]" 1
108 1 28 GLU HB2 1 29 CYS H 3.140 . 4.480 2.876 2.417 4.043 . 0 0 "[ . 1 . 2]" 1
109 1 21 GLU H 1 21 GLU HB2 2.965 . 4.130 2.541 2.295 3.650 . 0 0 "[ . 1 . 2]" 1
110 1 20 GLU QG 1 21 GLU H 3.035 . 4.270 3.796 2.232 4.370 0.100 11 0 "[ . 1 . 2]" 1
111 1 22 GLN H 1 22 GLN QG 3.650 . 5.500 3.606 2.051 4.083 . 0 0 "[ . 1 . 2]" 1
112 1 22 GLN HA 1 22 GLN QG 2.890 . 3.980 2.661 2.394 3.166 . 0 0 "[ . 1 . 2]" 1
113 1 22 GLN QB 1 23 ARG H 2.750 . 3.700 2.617 2.208 3.061 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG QB 1 8 ARG HE 3.030 . 4.260 4.112 3.388 4.278 0.018 3 0 "[ . 1 . 2]" 1
115 1 23 ARG QB 1 23 ARG HE 2.895 . 3.990 3.320 2.018 4.032 0.042 11 0 "[ . 1 . 2]" 1
116 1 24 ARG QB 1 24 ARG HE 3.060 . 4.320 2.607 1.833 4.018 . 0 0 "[ . 1 . 2]" 1
117 1 32 ARG QB 1 32 ARG HE 3.220 . 4.640 3.064 1.927 4.091 . 0 0 "[ . 1 . 2]" 1
118 1 32 ARG H 1 32 ARG QB 2.945 . 4.090 2.302 2.153 2.534 . 0 0 "[ . 1 . 2]" 1
119 1 15 LYS HA 1 16 PRO HD2 2.715 . 3.630 2.490 1.970 2.928 . 0 0 "[ . 1 . 2]" 1
120 1 15 LYS HA 1 16 PRO HD3 2.715 . 3.630 2.170 1.954 2.716 . 0 0 "[ . 1 . 2]" 1
121 1 7 CYS HA 1 10 TRP HB2 2.915 . 4.030 3.626 2.644 4.043 0.013 6 0 "[ . 1 . 2]" 1
122 1 7 CYS HA 1 10 TRP HB3 2.915 . 4.030 3.610 3.219 4.114 0.084 20 0 "[ . 1 . 2]" 1
123 1 14 MET H 1 14 MET QG 2.940 . 4.080 3.634 2.336 4.083 0.003 1 0 "[ . 1 . 2]" 1
124 1 11 CYS HA 1 14 MET HB2 3.650 . 5.500 3.071 1.969 4.112 . 0 0 "[ . 1 . 2]" 1
125 1 11 CYS HA 1 14 MET HB3 3.650 . 5.500 2.831 2.030 4.656 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL MG2 1 14 MET H 3.650 . 5.500 3.670 2.463 4.064 . 0 0 "[ . 1 . 2]" 1
127 1 15 LYS HA 1 15 LYS QD 3.130 . 4.460 2.914 1.905 4.492 0.032 13 0 "[ . 1 . 2]" 1
128 1 13 VAL H 1 14 MET H 3.115 . 4.430 2.407 2.310 2.533 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLU H 1 21 GLU HB3 2.965 . 4.130 3.360 2.570 3.638 . 0 0 "[ . 1 . 2]" 1
130 1 20 GLU HB3 1 21 GLU H 3.585 . 5.370 3.402 2.515 4.089 . 0 0 "[ . 1 . 2]" 1
131 1 22 GLN QG 1 23 ARG H 3.650 . 5.500 3.903 3.648 4.603 . 0 0 "[ . 1 . 2]" 1
132 1 11 CYS HB3 1 12 GLN H 3.485 . 5.170 3.695 3.473 3.924 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLN H 1 17 GLN HG2 3.650 . 5.500 3.678 1.973 5.207 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLN H 1 17 GLN HG3 3.650 . 5.500 3.681 2.688 4.639 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLN QB 1 17 GLN HE21 3.590 . 5.380 3.185 1.805 3.978 . 0 0 "[ . 1 . 2]" 1
136 1 2 LYS H 1 2 LYS QD 3.650 . 5.500 3.828 3.271 4.362 . 0 0 "[ . 1 . 2]" 1
137 1 6 ILE HA 1 6 ILE MG 2.685 . 3.570 2.406 2.244 2.702 . 0 0 "[ . 1 . 2]" 1
138 1 6 ILE HG12 1 6 ILE MG 3.010 . 4.220 2.342 2.262 2.482 . 0 0 "[ . 1 . 2]" 1
139 1 6 ILE H 1 6 ILE HG13 3.005 . 4.210 2.386 1.860 3.843 . 0 0 "[ . 1 . 2]" 1
140 1 6 ILE MG 1 10 TRP HD1 3.290 . 4.780 4.473 2.008 4.862 0.082 13 0 "[ . 1 . 2]" 1
141 1 8 ARG HA 1 11 CYS H 3.650 . 5.500 3.550 3.174 3.906 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL MG1 1 14 MET H 3.650 . 5.500 3.290 2.313 4.090 . 0 0 "[ . 1 . 2]" 1
143 1 8 ARG HE 1 12 GLN HA 2.780 . 3.760 3.789 3.359 3.868 0.108 10 0 "[ . 1 . 2]" 1
144 1 20 GLU HB2 1 21 GLU H 3.585 . 5.370 3.194 2.286 4.018 . 0 0 "[ . 1 . 2]" 1
145 1 24 ARG HA 1 28 GLU H 3.405 . 5.010 3.993 3.759 4.317 . 0 0 "[ . 1 . 2]" 1
146 1 24 ARG HA 1 27 GLN H 3.370 . 4.940 3.579 3.307 3.804 . 0 0 "[ . 1 . 2]" 1
147 1 25 CYS HA 1 28 GLU H 3.475 . 5.150 3.492 3.232 3.929 . 0 0 "[ . 1 . 2]" 1
148 1 34 ARG HB2 1 35 ASP H 3.195 . 4.590 3.978 2.355 4.600 0.010 14 0 "[ . 1 . 2]" 1
149 1 27 GLN H 1 27 GLN HG3 3.650 . 5.500 3.739 2.001 4.500 . 0 0 "[ . 1 . 2]" 1
150 1 28 GLU HA 1 31 GLU H 3.250 . 4.700 3.542 3.008 4.211 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLN H 1 12 GLN HG2 3.560 . 5.320 4.404 2.730 4.635 . 0 0 "[ . 1 . 2]" 1
152 1 2 LYS H 1 3 GLU H 2.855 . 3.910 2.581 2.330 2.775 . 0 0 "[ . 1 . 2]" 1
153 1 5 GLU HA 1 8 ARG QB 2.820 . 3.840 3.065 2.593 3.726 . 0 0 "[ . 1 . 2]" 1
154 1 27 GLN HA 1 30 GLU H 3.360 . 4.920 3.764 3.373 4.201 . 0 0 "[ . 1 . 2]" 1
155 1 17 GLN QB 1 17 GLN HE22 3.590 . 5.380 3.894 3.227 4.437 . 0 0 "[ . 1 . 2]" 1
156 1 28 GLU H 1 29 CYS H 2.830 . 3.860 2.663 2.404 2.872 . 0 0 "[ . 1 . 2]" 1
157 1 2 LYS H 1 2 LYS QG 2.830 . 3.860 2.552 2.040 3.956 0.096 11 0 "[ . 1 . 2]" 1
158 1 2 LYS QB 1 2 LYS QE 3.205 . 4.610 3.335 1.966 3.665 . 0 0 "[ . 1 . 2]" 1
159 1 2 LYS QB 1 3 GLU H 3.040 . 4.280 2.655 2.236 3.307 . 0 0 "[ . 1 . 2]" 1
160 1 3 GLU H 1 3 GLU QB 2.690 . 3.580 2.467 2.233 2.797 . 0 0 "[ . 1 . 2]" 1
161 1 3 GLU QB 1 4 THR H 3.050 . 4.300 2.832 2.114 3.806 . 0 0 "[ . 1 . 2]" 1
162 1 6 ILE H 1 6 ILE QG 2.690 . 3.580 2.172 1.848 3.493 . 0 0 "[ . 1 . 2]" 1
163 1 7 CYS H 1 7 CYS QB 2.620 . 3.440 2.207 2.137 2.251 . 0 0 "[ . 1 . 2]" 1
164 1 7 CYS HA 1 10 TRP QB 2.630 . 3.460 3.168 2.614 3.507 0.047 3 0 "[ . 1 . 2]" 1
165 1 8 ARG H 1 8 ARG QG 3.085 . 4.370 4.044 3.933 4.133 . 0 0 "[ . 1 . 2]" 1
166 1 8 ARG HA 1 8 ARG QD 3.050 . 4.300 2.508 2.007 4.105 . 0 0 "[ . 1 . 2]" 1
167 1 8 ARG HE 1 12 GLN QB 2.925 . 4.050 2.845 2.280 4.070 0.020 10 0 "[ . 1 . 2]" 1
168 1 8 ARG HE 1 12 GLN QG 2.980 . 4.160 3.634 2.002 4.182 0.022 1 0 "[ . 1 . 2]" 1
169 1 9 GLN H 1 9 GLN QG 3.075 . 4.350 3.490 2.172 4.065 . 0 0 "[ . 1 . 2]" 1
170 1 9 GLN QB 1 9 GLN QE 3.165 . 4.530 2.926 1.800 3.714 0.000 20 0 "[ . 1 . 2]" 1
171 1 10 TRP H 1 10 TRP QB 2.405 . 3.010 2.207 2.125 2.275 . 0 0 "[ . 1 . 2]" 1
172 1 10 TRP HA 1 13 VAL QG 3.330 . 4.860 3.144 2.436 4.171 . 0 0 "[ . 1 . 2]" 1
173 1 10 TRP QB 1 10 TRP HE3 2.745 . 3.690 2.522 2.265 2.715 . 0 0 "[ . 1 . 2]" 1
174 1 10 TRP QB 1 11 CYS H 2.645 . 3.490 2.331 2.221 2.579 . 0 0 "[ . 1 . 2]" 1
175 1 11 CYS H 1 11 CYS QB 2.525 . 3.250 2.305 2.182 2.416 . 0 0 "[ . 1 . 2]" 1
176 1 11 CYS QB 1 12 GLN H 3.100 . 4.400 2.827 2.518 3.241 . 0 0 "[ . 1 . 2]" 1
177 1 12 GLN H 1 12 GLN QB 2.650 . 3.500 2.215 2.141 2.298 . 0 0 "[ . 1 . 2]" 1
178 1 12 GLN HA 1 12 GLN QG 2.755 . 3.710 2.660 2.413 3.097 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLN QB 1 13 VAL QG 3.100 . 4.400 3.159 2.632 3.883 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL H 1 13 VAL QG 2.675 . 3.550 2.168 1.951 2.346 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL QG 1 14 MET H 3.315 . 4.830 2.903 2.293 3.410 . 0 0 "[ . 1 . 2]" 1
182 1 14 MET H 1 14 MET QB 2.720 . 3.640 2.301 2.199 2.489 . 0 0 "[ . 1 . 2]" 1
183 1 15 LYS H 1 16 PRO QD 3.325 . 4.850 3.429 3.112 3.928 . 0 0 "[ . 1 . 2]" 1
184 1 15 LYS HA 1 16 PRO QD 2.445 . 3.090 1.998 1.888 2.160 . 0 0 "[ . 1 . 2]" 1
185 1 15 LYS QB 1 15 LYS QD 2.725 . 3.650 2.329 2.062 2.831 . 0 0 "[ . 1 . 2]" 1
186 1 15 LYS QB 1 15 LYS QE 3.270 . 4.740 3.282 1.930 3.890 . 0 0 "[ . 1 . 2]" 1
187 1 16 PRO QB 1 17 GLN QE 3.240 . 4.680 4.162 2.635 4.712 0.032 14 0 "[ . 1 . 2]" 1
188 1 16 PRO QD 1 17 GLN H 3.335 . 4.870 4.796 4.647 4.921 0.051 7 0 "[ . 1 . 2]" 1
189 1 17 GLN H 1 17 GLN QG 3.250 . 4.700 3.095 1.963 4.296 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLN QB 1 17 GLN QE 3.180 . 4.560 3.013 1.796 3.705 0.004 2 0 "[ . 1 . 2]" 1
191 1 17 GLN QE 1 17 GLN QG 2.455 . 3.110 2.252 2.043 2.703 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLY H 1 19 GLY QA 3.485 . 5.170 4.563 3.970 5.197 0.027 10 0 "[ . 1 . 2]" 1
193 1 20 GLU H 1 20 GLU QB 2.640 . 3.480 2.408 2.209 2.702 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLU H 1 21 GLU QG 3.195 . 4.590 2.766 2.009 4.051 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLU HA 1 21 GLU QG 2.680 . 3.560 2.756 2.369 3.522 . 0 0 "[ . 1 . 2]" 1
196 1 23 ARG H 1 23 ARG QG 2.820 . 3.840 3.085 1.978 3.929 0.089 14 0 "[ . 1 . 2]" 1
197 1 23 ARG HA 1 23 ARG QG 2.735 . 3.670 2.663 2.356 3.109 . 0 0 "[ . 1 . 2]" 1
198 1 23 ARG QG 1 24 ARG H 3.000 . 4.200 3.805 3.289 4.238 0.038 20 0 "[ . 1 . 2]" 1
199 1 24 ARG H 1 24 ARG QG 3.175 . 4.550 3.411 2.131 4.057 . 0 0 "[ . 1 . 2]" 1
200 1 25 CYS QB 1 26 GLN H 2.730 . 3.660 2.725 2.335 2.993 . 0 0 "[ . 1 . 2]" 1
201 1 26 GLN H 1 26 GLN QG 2.870 . 3.940 3.353 2.133 3.967 0.027 12 0 "[ . 1 . 2]" 1
202 1 26 GLN QB 1 26 GLN QG 2.070 . 2.340 2.060 1.982 2.092 . 0 0 "[ . 1 . 2]" 1
203 1 26 GLN QB 1 26 GLN QE 2.815 . 3.830 3.007 2.595 3.702 . 0 0 "[ . 1 . 2]" 1
204 1 26 GLN QB 1 27 GLN H 2.720 . 3.640 2.436 2.184 2.900 . 0 0 "[ . 1 . 2]" 1
205 1 27 GLN H 1 27 GLN QB 2.715 . 3.630 2.337 2.201 2.563 . 0 0 "[ . 1 . 2]" 1
206 1 27 GLN QB 1 27 GLN QE 3.080 . 4.360 2.910 1.780 3.456 0.020 7 0 "[ . 1 . 2]" 1
207 1 27 GLN QB 1 28 GLU H 2.820 . 3.840 2.415 2.127 2.649 . 0 0 "[ . 1 . 2]" 1
208 1 28 GLU H 1 28 GLU QB 2.450 . 3.100 2.439 1.919 2.664 . 0 0 "[ . 1 . 2]" 1
209 1 28 GLU H 1 28 GLU QG 2.620 . 3.440 2.318 2.002 3.601 0.161 1 0 "[ . 1 . 2]" 1
210 1 28 GLU QB 1 29 CYS H 2.800 . 3.800 2.719 2.378 3.651 . 0 0 "[ . 1 . 2]" 1
211 1 29 CYS QB 1 30 GLU H 3.070 . 4.340 2.494 2.260 2.782 . 0 0 "[ . 1 . 2]" 1
212 1 30 GLU H 1 30 GLU QG 2.650 . 3.500 2.337 1.916 2.505 . 0 0 "[ . 1 . 2]" 1
213 1 30 GLU HA 1 30 GLU QG 2.645 . 3.490 2.583 2.298 3.345 . 0 0 "[ . 1 . 2]" 1
214 1 30 GLU QB 1 31 GLU H 2.990 . 4.180 2.793 2.395 3.563 . 0 0 "[ . 1 . 2]" 1
215 1 31 GLU H 1 31 GLU QG 2.990 . 4.180 3.662 2.343 4.055 . 0 0 "[ . 1 . 2]" 1
216 1 32 ARG H 1 33 LEU QB 3.360 . 4.920 4.263 3.993 4.684 . 0 0 "[ . 1 . 2]" 1
217 1 32 ARG QG 1 33 LEU H 2.790 . 3.780 3.688 3.336 3.866 0.086 12 0 "[ . 1 . 2]" 1
218 1 33 LEU H 1 33 LEU QB 2.470 . 3.140 2.252 2.121 2.463 . 0 0 "[ . 1 . 2]" 1
219 1 33 LEU HA 1 33 LEU QD 2.480 . 3.160 2.116 1.989 2.237 . 0 0 "[ . 1 . 2]" 1
220 1 34 ARG QB 1 34 ARG QD 2.720 . 3.640 2.293 2.039 2.845 . 0 0 "[ . 1 . 2]" 1
221 1 34 ARG QB 1 34 ARG HE 3.160 . 4.520 3.100 2.087 3.987 . 0 0 "[ . 1 . 2]" 1
222 1 34 ARG QB 1 35 ASP H 2.860 . 3.920 3.204 1.797 3.966 0.046 20 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 39
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 14.080
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PCA 0.023 0.012 5 0 "[ . 1 . 2]"
1 2 LYS 0.073 0.050 9 0 "[ . 1 . 2]"
1 3 GLU 0.039 0.019 7 0 "[ . 1 . 2]"
1 5 GLU 0.023 0.012 5 0 "[ . 1 . 2]"
1 6 ILE 0.107 0.050 9 0 "[ . 1 . 2]"
1 7 CYS 0.039 0.019 7 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLN 0.007 0.007 2 0 "[ . 1 . 2]"
1 10 TRP 0.197 0.063 9 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.007 0.007 2 0 "[ . 1 . 2]"
1 14 MET 0.163 0.063 9 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.083 0.054 12 0 "[ . 1 . 2]"
1 21 GLU 0.081 0.061 9 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.104 0.054 12 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 0.081 0.061 9 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.079 0.021 8 0 "[ . 1 . 2]"
1 28 GLU 0.088 0.042 3 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.033 0.019 18 0 "[ . 1 . 2]"
1 31 GLU 0.058 0.017 18 0 "[ . 1 . 2]"
1 32 ARG 0.088 0.042 3 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.033 0.019 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PCA O 1 5 GLU H 0.000 . 2.300 2.096 1.866 2.312 0.012 5 0 "[ . 1 . 2]" 2
2 1 1 PCA O 1 5 GLU N 0.000 . 3.300 2.959 2.770 3.160 . 0 0 "[ . 1 . 2]" 2
3 1 2 LYS O 1 6 ILE H 0.000 . 2.300 2.074 1.888 2.350 0.050 9 0 "[ . 1 . 2]" 2
4 1 2 LYS O 1 6 ILE N 0.000 . 3.300 3.039 2.870 3.309 0.009 9 0 "[ . 1 . 2]" 2
5 1 3 GLU O 1 7 CYS H 0.000 . 2.300 2.062 1.820 2.319 0.019 7 0 "[ . 1 . 2]" 2
6 1 3 GLU O 1 7 CYS N 0.000 . 3.300 2.985 2.783 3.220 . 0 0 "[ . 1 . 2]" 2
7 1 5 GLU O 1 9 GLN H 0.000 . 2.300 1.867 1.766 2.079 . 0 0 "[ . 1 . 2]" 2
8 1 5 GLU O 1 9 GLN N 0.000 . 3.300 2.806 2.698 3.038 . 0 0 "[ . 1 . 2]" 2
9 1 6 ILE O 1 10 TRP H 0.000 . 2.300 1.947 1.788 2.314 0.014 7 0 "[ . 1 . 2]" 2
10 1 6 ILE O 1 10 TRP N 0.000 . 3.300 2.878 2.750 3.210 . 0 0 "[ . 1 . 2]" 2
11 1 8 ARG O 1 12 GLN H 0.000 . 2.300 1.832 1.760 1.954 . 0 0 "[ . 1 . 2]" 2
12 1 8 ARG O 1 12 GLN N 0.000 . 3.300 2.717 2.640 2.815 . 0 0 "[ . 1 . 2]" 2
13 1 9 GLN O 1 13 VAL H 0.000 . 2.300 2.047 1.820 2.307 0.007 2 0 "[ . 1 . 2]" 2
14 1 9 GLN O 1 13 VAL N 0.000 . 3.300 2.962 2.770 3.195 . 0 0 "[ . 1 . 2]" 2
15 1 10 TRP O 1 14 MET H 0.000 . 2.300 2.119 1.779 2.363 0.063 9 0 "[ . 1 . 2]" 2
16 1 10 TRP O 1 14 MET N 0.000 . 3.300 2.992 2.750 3.259 . 0 0 "[ . 1 . 2]" 2
17 1 11 CYS O 1 15 LYS H 0.000 . 2.300 1.894 1.739 2.155 . 0 0 "[ . 1 . 2]" 2
18 1 11 CYS O 1 15 LYS N 0.000 . 3.300 2.841 2.682 3.133 . 0 0 "[ . 1 . 2]" 2
19 1 19 GLY O 1 23 ARG H 0.000 . 2.300 2.057 1.839 2.354 0.054 12 0 "[ . 1 . 2]" 2
20 1 19 GLY O 1 23 ARG N 0.000 . 3.300 2.980 2.765 3.286 . 0 0 "[ . 1 . 2]" 2
21 1 21 GLU O 1 25 CYS H 0.000 . 2.300 1.973 1.756 2.361 0.061 9 0 "[ . 1 . 2]" 2
22 1 21 GLU O 1 25 CYS N 0.000 . 3.300 2.926 2.718 3.320 0.020 9 0 "[ . 1 . 2]" 2
23 1 22 GLN O 1 26 GLN N 0.000 . 3.300 2.823 2.651 3.187 . 0 0 "[ . 1 . 2]" 2
24 1 23 ARG O 1 27 GLN H 0.000 . 2.300 2.012 1.700 2.321 0.021 8 0 "[ . 1 . 2]" 2
25 1 23 ARG O 1 27 GLN N 0.000 . 3.300 2.970 2.678 3.284 . 0 0 "[ . 1 . 2]" 2
26 1 24 ARG O 1 28 GLU H 0.000 . 2.300 1.886 1.791 2.132 . 0 0 "[ . 1 . 2]" 2
27 1 24 ARG O 1 28 GLU N 0.000 . 3.300 2.858 2.750 3.101 . 0 0 "[ . 1 . 2]" 2
28 1 25 CYS O 1 29 CYS H 0.000 . 2.300 1.867 1.709 2.028 . 0 0 "[ . 1 . 2]" 2
29 1 25 CYS O 1 29 CYS N 0.000 . 3.300 2.765 2.646 2.887 . 0 0 "[ . 1 . 2]" 2
30 1 26 GLN O 1 30 GLU H 0.000 . 2.300 1.955 1.758 2.231 . 0 0 "[ . 1 . 2]" 2
31 1 26 GLN O 1 30 GLU N 0.000 . 3.300 2.910 2.730 3.133 . 0 0 "[ . 1 . 2]" 2
32 1 27 GLN O 1 31 GLU H 0.000 . 2.300 2.102 1.872 2.317 0.017 18 0 "[ . 1 . 2]" 2
33 1 27 GLN O 1 31 GLU N 0.000 . 3.300 2.988 2.811 3.220 . 0 0 "[ . 1 . 2]" 2
34 1 28 GLU O 1 32 ARG H 0.000 . 2.300 2.066 1.830 2.342 0.042 3 0 "[ . 1 . 2]" 2
35 1 28 GLU O 1 32 ARG N 0.000 . 3.300 2.916 2.748 3.168 . 0 0 "[ . 1 . 2]" 2
36 1 29 CYS O 1 33 LEU H 0.000 . 2.300 1.961 1.792 2.252 . 0 0 "[ . 1 . 2]" 2
37 1 29 CYS O 1 33 LEU N 0.000 . 3.300 2.875 2.692 3.046 . 0 0 "[ . 1 . 2]" 2
38 1 30 GLU O 1 34 ARG H 0.000 . 2.300 2.025 1.767 2.319 0.019 18 0 "[ . 1 . 2]" 2
39 1 30 GLU O 1 34 ARG N 0.000 . 3.300 2.854 2.703 3.041 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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