NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
488191 |
2xl1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xl1
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 260
_Distance_constraint_stats_list.Viol_count 717
_Distance_constraint_stats_list.Viol_total 804.380
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0561
_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 10 SER 0.293 0.063 15 0 "[ . 1 . 2]"
1 11 GLN 1.311 0.187 15 0 "[ . 1 . 2]"
1 12 ASP 0.122 0.027 12 0 "[ . 1 . 2]"
1 13 TYR 8.222 0.148 12 0 "[ . 1 . 2]"
1 14 LEU 5.918 0.114 8 0 "[ . 1 . 2]"
1 15 SER 3.330 0.210 5 0 "[ . 1 . 2]"
1 16 ASP 8.067 0.217 18 0 "[ . 1 . 2]"
1 17 HIS 11.487 0.217 18 0 "[ . 1 . 2]"
1 18 LEU 6.341 0.154 14 0 "[ . 1 . 2]"
1 19 TRP 12.888 0.196 6 0 "[ . 1 . 2]"
1 20 ARG 5.028 0.196 6 0 "[ . 1 . 2]"
1 21 ALA 2.780 0.179 12 0 "[ . 1 . 2]"
1 22 LEU 4.224 0.102 18 0 "[ . 1 . 2]"
1 23 ASN 3.833 0.154 7 0 "[ . 1 . 2]"
1 24 ALA 1.475 0.095 4 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 22 LEU H 1 24 ALA H 3.205 . 4.610 3.819 3.699 3.900 . 0 0 "[ . 1 . 2]" 1
2 1 22 LEU MD1 1 24 ALA H 3.415 . 5.030 4.878 4.807 4.938 . 0 0 "[ . 1 . 2]" 1
3 1 24 ALA H 1 24 ALA MB 2.370 . 2.940 2.625 2.440 2.817 . 0 0 "[ . 1 . 2]" 1
4 1 23 ASN HB2 1 24 ALA H 3.015 . 4.230 3.413 3.182 3.777 . 0 0 "[ . 1 . 2]" 1
5 1 22 LEU HB3 1 24 ALA H 3.650 . 5.500 5.558 5.488 5.595 0.095 4 0 "[ . 1 . 2]" 1
6 1 23 ASN HB3 1 24 ALA H 3.115 . 4.430 3.938 3.720 4.191 . 0 0 "[ . 1 . 2]" 1
7 1 20 ARG HA 1 24 ALA H 3.400 . 5.000 3.888 3.608 4.560 . 0 0 "[ . 1 . 2]" 1
8 1 22 LEU MD1 1 23 ASN HD22 3.020 . 4.240 2.280 2.181 2.461 . 0 0 "[ . 1 . 2]" 1
9 1 18 LEU MD1 1 23 ASN H 3.650 . 5.500 5.531 5.458 5.572 0.072 7 0 "[ . 1 . 2]" 1
10 1 22 LEU HB2 1 23 ASN H 2.990 . 4.180 4.141 4.093 4.172 . 0 0 "[ . 1 . 2]" 1
11 1 22 LEU HB3 1 23 ASN H 2.890 . 3.980 3.816 3.754 3.915 . 0 0 "[ . 1 . 2]" 1
12 1 23 ASN H 1 23 ASN HB2 2.535 . 3.270 2.511 2.433 2.540 . 0 0 "[ . 1 . 2]" 1
13 1 19 TRP HA 1 23 ASN H 3.360 . 4.920 4.398 4.289 4.530 . 0 0 "[ . 1 . 2]" 1
14 1 19 TRP HA 1 23 ASN HD22 3.505 . 5.210 4.303 4.054 4.586 . 0 0 "[ . 1 . 2]" 1
15 1 20 ARG HA 1 23 ASN H 2.925 . 4.050 3.169 2.986 3.381 . 0 0 "[ . 1 . 2]" 1
16 1 22 LEU MD1 1 23 ASN HD21 3.345 . 4.890 2.784 2.700 2.872 . 0 0 "[ . 1 . 2]" 1
17 1 22 LEU MD2 1 23 ASN HD21 3.525 . 5.250 3.012 2.915 3.123 . 0 0 "[ . 1 . 2]" 1
18 1 22 LEU HB3 1 23 ASN HD21 3.245 . 4.690 4.693 4.648 4.733 0.043 15 0 "[ . 1 . 2]" 1
19 1 23 ASN HB2 1 23 ASN HD21 2.625 . 3.450 2.330 2.297 2.379 . 0 0 "[ . 1 . 2]" 1
20 1 11 GLN HE21 1 11 GLN QG 2.670 . 3.540 2.181 2.108 2.228 . 0 0 "[ . 1 . 2]" 1
21 1 19 TRP QB 1 23 ASN HD21 3.340 . 4.880 3.760 3.613 3.903 . 0 0 "[ . 1 . 2]" 1
22 1 20 ARG HA 1 23 ASN HD21 3.195 . 4.590 3.520 3.389 3.757 . 0 0 "[ . 1 . 2]" 1
23 1 23 ASN HA 1 23 ASN HD21 3.000 . 4.200 3.621 3.503 3.709 . 0 0 "[ . 1 . 2]" 1
24 1 22 LEU H 1 23 ASN H 2.590 . 3.380 2.331 2.216 2.406 . 0 0 "[ . 1 . 2]" 1
25 1 21 ALA H 1 23 ASN H 3.085 . 4.370 3.950 3.766 4.131 . 0 0 "[ . 1 . 2]" 1
26 1 23 ASN H 1 23 ASN HB3 2.735 . 3.670 3.664 3.599 3.681 0.011 20 0 "[ . 1 . 2]" 1
27 1 11 GLN H 1 11 GLN QG 2.695 . 3.590 2.616 2.238 3.777 0.187 15 0 "[ . 1 . 2]" 1
28 1 11 GLN HA 1 11 GLN QG 2.625 . 3.450 3.362 2.501 3.511 0.061 11 0 "[ . 1 . 2]" 1
29 1 11 GLN QB 1 11 GLN QG 2.285 . 2.770 2.030 2.006 2.100 . 0 0 "[ . 1 . 2]" 1
30 1 22 LEU H 1 22 LEU HB2 2.745 . 3.690 3.630 3.596 3.677 . 0 0 "[ . 1 . 2]" 1
31 1 21 ALA MB 1 22 LEU H 2.525 . 3.250 2.776 2.625 2.910 . 0 0 "[ . 1 . 2]" 1
32 1 18 LEU MD1 1 22 LEU H 2.930 . 4.060 4.038 3.950 4.098 0.038 5 0 "[ . 1 . 2]" 1
33 1 18 LEU MD2 1 22 LEU H 2.825 . 3.850 3.856 3.646 3.887 0.037 2 0 "[ . 1 . 2]" 1
34 1 22 LEU H 1 22 LEU MD2 2.905 . 4.010 3.087 2.988 3.182 . 0 0 "[ . 1 . 2]" 1
35 1 22 LEU H 1 22 LEU HB3 2.500 . 3.200 2.413 2.319 2.565 . 0 0 "[ . 1 . 2]" 1
36 1 14 LEU HB2 1 15 SER H 2.560 . 3.320 3.400 3.355 3.427 0.107 5 0 "[ . 1 . 2]" 1
37 1 14 LEU HB3 1 15 SER H 2.480 . 3.160 2.379 2.192 2.522 . 0 0 "[ . 1 . 2]" 1
38 1 22 LEU H 1 22 LEU HG 2.635 . 3.470 2.667 2.605 2.742 . 0 0 "[ . 1 . 2]" 1
39 1 19 TRP QB 1 22 LEU H 3.560 . 5.320 5.153 5.047 5.252 . 0 0 "[ . 1 . 2]" 1
40 1 15 SER H 1 15 SER HB3 2.500 . 3.200 2.896 2.498 3.410 0.210 5 0 "[ . 1 . 2]" 1
41 1 15 SER H 1 15 SER HB2 2.500 . 3.200 2.467 2.327 2.615 . 0 0 "[ . 1 . 2]" 1
42 1 10 SER HA 1 11 GLN H 2.650 . 3.500 3.443 3.334 3.515 0.015 20 0 "[ . 1 . 2]" 1
43 1 15 SER H 1 16 ASP H 2.705 . 3.610 2.623 2.535 2.717 . 0 0 "[ . 1 . 2]" 1
44 1 21 ALA H 1 22 LEU H 2.530 . 3.260 2.609 2.494 2.725 . 0 0 "[ . 1 . 2]" 1
45 1 22 LEU HA 1 22 LEU MD1 2.680 . 3.560 3.565 3.540 3.581 0.021 5 0 "[ . 1 . 2]" 1
46 1 22 LEU HA 1 22 LEU HG 2.820 . 3.840 3.698 3.649 3.729 . 0 0 "[ . 1 . 2]" 1
47 1 22 LEU HB2 1 23 ASN HD21 3.355 . 4.910 4.929 4.887 4.947 0.037 7 0 "[ . 1 . 2]" 1
48 1 18 LEU HB3 1 18 LEU MD1 2.490 . 3.180 2.207 2.168 2.232 . 0 0 "[ . 1 . 2]" 1
49 1 20 ARG HB3 1 21 ALA MB 3.025 . 4.250 4.102 3.906 4.261 0.011 14 0 "[ . 1 . 2]" 1
50 1 18 LEU HB3 1 19 TRP QB 3.120 . 4.440 4.035 3.982 4.090 . 0 0 "[ . 1 . 2]" 1
51 1 15 SER HA 1 18 LEU HB3 2.415 . 3.030 2.885 2.534 3.065 0.035 14 0 "[ . 1 . 2]" 1
52 1 17 HIS HD2 1 18 LEU HB3 3.500 . 5.200 3.613 3.533 3.721 . 0 0 "[ . 1 . 2]" 1
53 1 13 TYR QD 1 14 LEU HB3 3.310 . 4.820 4.893 4.859 4.934 0.114 8 0 "[ . 1 . 2]" 1
54 1 22 LEU HG 1 23 ASN H 3.155 . 4.510 2.270 2.200 2.368 . 0 0 "[ . 1 . 2]" 1
55 1 22 LEU HB2 1 22 LEU MD1 2.315 . 2.830 2.196 2.157 2.233 . 0 0 "[ . 1 . 2]" 1
56 1 22 LEU HB3 1 22 LEU MD2 2.355 . 2.910 2.152 2.131 2.164 . 0 0 "[ . 1 . 2]" 1
57 1 19 TRP HA 1 22 LEU MD2 2.645 . 3.490 1.939 1.887 2.006 . 0 0 "[ . 1 . 2]" 1
58 1 20 ARG H 1 22 LEU MD2 3.525 . 5.250 4.624 4.523 4.673 . 0 0 "[ . 1 . 2]" 1
59 1 18 LEU MD2 1 21 ALA H 3.650 . 5.500 4.336 4.111 4.492 . 0 0 "[ . 1 . 2]" 1
60 1 21 ALA H 1 22 LEU MD2 3.650 . 5.500 4.605 4.455 4.797 . 0 0 "[ . 1 . 2]" 1
61 1 18 LEU HA 1 21 ALA H 2.710 . 3.620 3.280 3.115 3.399 . 0 0 "[ . 1 . 2]" 1
62 1 17 HIS HA 1 20 ARG H 2.915 . 4.030 3.542 3.310 3.751 . 0 0 "[ . 1 . 2]" 1
63 1 19 TRP QB 1 20 ARG H 2.660 . 3.520 3.248 3.197 3.290 . 0 0 "[ . 1 . 2]" 1
64 1 21 ALA H 1 21 ALA MB 2.310 . 2.820 2.257 2.227 2.295 . 0 0 "[ . 1 . 2]" 1
65 1 18 LEU MD1 1 20 ARG H 3.370 . 4.940 4.602 4.456 4.674 . 0 0 "[ . 1 . 2]" 1
66 1 18 LEU MD1 1 21 ALA H 3.585 . 5.370 4.630 4.468 4.782 . 0 0 "[ . 1 . 2]" 1
67 1 20 ARG H 1 20 ARG QG 2.865 . 3.930 3.877 3.777 3.944 0.014 11 0 "[ . 1 . 2]" 1
68 1 20 ARG H 1 20 ARG HB3 2.690 . 3.580 2.627 2.473 2.757 . 0 0 "[ . 1 . 2]" 1
69 1 20 ARG HB3 1 21 ALA H 2.795 . 3.790 2.836 2.606 3.074 . 0 0 "[ . 1 . 2]" 1
70 1 20 ARG H 1 20 ARG HB2 2.635 . 3.470 2.209 2.076 2.319 . 0 0 "[ . 1 . 2]" 1
71 1 20 ARG H 1 20 ARG HE 3.360 . 4.920 4.584 3.963 5.037 0.117 6 0 "[ . 1 . 2]" 1
72 1 18 LEU H 1 20 ARG H 3.305 . 4.810 4.072 3.889 4.283 . 0 0 "[ . 1 . 2]" 1
73 1 18 LEU H 1 21 ALA H 3.575 . 5.350 4.436 4.357 4.509 . 0 0 "[ . 1 . 2]" 1
74 1 18 LEU HA 1 21 ALA MB 2.375 . 2.950 2.374 2.199 2.571 . 0 0 "[ . 1 . 2]" 1
75 1 18 LEU MD1 1 21 ALA MB 3.065 . 4.330 4.160 3.965 4.342 0.012 14 0 "[ . 1 . 2]" 1
76 1 20 ARG HE 1 20 ARG QG 2.955 . 4.110 2.622 2.422 3.300 . 0 0 "[ . 1 . 2]" 1
77 1 20 ARG HB2 1 20 ARG HE 2.855 . 3.910 2.720 1.834 3.494 . 0 0 "[ . 1 . 2]" 1
78 1 20 ARG HB3 1 20 ARG HE 3.050 . 4.300 2.718 2.357 3.098 . 0 0 "[ . 1 . 2]" 1
79 1 17 HIS HA 1 20 ARG HE 3.255 . 4.710 3.876 3.303 4.285 . 0 0 "[ . 1 . 2]" 1
80 1 16 ASP HA 1 20 ARG HB2 3.425 . 5.050 4.809 4.341 5.070 0.020 10 0 "[ . 1 . 2]" 1
81 1 20 ARG HB3 1 20 ARG HD2 2.975 . 4.150 3.878 3.660 4.125 . 0 0 "[ . 1 . 2]" 1
82 1 20 ARG HB3 1 20 ARG HD3 2.720 . 3.640 3.376 2.972 3.696 0.056 13 0 "[ . 1 . 2]" 1
83 1 20 ARG HB2 1 20 ARG QG 2.315 . 2.830 2.467 2.394 2.505 . 0 0 "[ . 1 . 2]" 1
84 1 19 TRP HE3 1 20 ARG QG 3.400 . 5.000 4.940 4.541 5.111 0.111 11 0 "[ . 1 . 2]" 1
85 1 19 TRP H 1 19 TRP QB 2.425 . 3.050 2.180 2.120 2.235 . 0 0 "[ . 1 . 2]" 1
86 1 10 SER H 1 13 TYR HB3 3.650 . 5.500 5.459 5.169 5.546 0.046 10 0 "[ . 1 . 2]" 1
87 1 16 ASP HB3 1 19 TRP H 3.650 . 5.500 5.373 5.300 5.452 . 0 0 "[ . 1 . 2]" 1
88 1 19 TRP H 1 21 ALA MB 3.390 . 4.980 4.691 4.537 4.880 . 0 0 "[ . 1 . 2]" 1
89 1 18 LEU HB2 1 19 TRP H 2.890 . 3.980 3.890 3.843 3.941 . 0 0 "[ . 1 . 2]" 1
90 1 18 LEU HB3 1 19 TRP H 2.700 . 3.600 2.547 2.475 2.617 . 0 0 "[ . 1 . 2]" 1
91 1 16 ASP HA 1 19 TRP H 2.920 . 4.040 3.874 3.767 4.008 . 0 0 "[ . 1 . 2]" 1
92 1 17 HIS HD2 1 19 TRP H 3.650 . 5.500 4.544 4.479 4.625 . 0 0 "[ . 1 . 2]" 1
93 1 19 TRP H 1 19 TRP HE3 3.625 . 5.450 5.284 5.253 5.331 . 0 0 "[ . 1 . 2]" 1
94 1 19 TRP H 1 20 ARG H 2.690 . 3.580 2.580 2.468 2.644 . 0 0 "[ . 1 . 2]" 1
95 1 18 LEU MD1 1 19 TRP H 3.020 . 4.240 2.985 2.917 3.048 . 0 0 "[ . 1 . 2]" 1
96 1 18 LEU MD2 1 19 TRP H 3.415 . 5.030 4.297 4.268 4.342 . 0 0 "[ . 1 . 2]" 1
97 1 19 TRP H 1 22 LEU MD2 3.605 . 5.410 4.062 3.964 4.197 . 0 0 "[ . 1 . 2]" 1
98 1 15 SER HA 1 18 LEU H 3.110 . 4.420 3.959 3.664 4.147 . 0 0 "[ . 1 . 2]" 1
99 1 17 HIS HA 1 19 TRP HD1 3.600 . 5.400 4.917 4.656 5.197 . 0 0 "[ . 1 . 2]" 1
100 1 19 TRP HA 1 19 TRP HD1 3.650 . 5.500 4.808 4.744 4.862 . 0 0 "[ . 1 . 2]" 1
101 1 15 SER HA 1 16 ASP HA 3.470 . 5.140 4.869 4.779 4.936 . 0 0 "[ . 1 . 2]" 1
102 1 16 ASP HA 1 17 HIS HA 3.650 . 5.500 4.369 4.324 4.469 . 0 0 "[ . 1 . 2]" 1
103 1 17 HIS HA 1 21 ALA MB 3.160 . 4.520 4.431 4.176 4.540 0.020 18 0 "[ . 1 . 2]" 1
104 1 19 TRP HA 1 22 LEU HB2 3.585 . 5.370 5.165 4.972 5.330 . 0 0 "[ . 1 . 2]" 1
105 1 16 ASP HB2 1 17 HIS HA 3.280 . 4.760 4.936 4.867 4.977 0.217 18 0 "[ . 1 . 2]" 1
106 1 18 LEU H 1 19 TRP QB 3.350 . 4.900 4.521 4.416 4.650 . 0 0 "[ . 1 . 2]" 1
107 1 16 ASP HA 1 19 TRP QB 2.680 . 3.560 3.672 3.631 3.734 0.174 18 0 "[ . 1 . 2]" 1
108 1 19 TRP QB 1 22 LEU HG 3.595 . 5.390 4.402 4.220 4.547 . 0 0 "[ . 1 . 2]" 1
109 1 19 TRP QB 1 22 LEU MD2 3.480 . 5.160 3.199 3.093 3.293 . 0 0 "[ . 1 . 2]" 1
110 1 19 TRP QB 1 19 TRP HD1 2.450 . 3.100 2.422 2.349 2.480 . 0 0 "[ . 1 . 2]" 1
111 1 19 TRP HD1 1 20 ARG HB2 3.080 . 4.360 3.957 3.751 4.163 . 0 0 "[ . 1 . 2]" 1
112 1 19 TRP HH2 1 23 ASN HB3 3.245 . 4.690 4.465 4.348 4.582 . 0 0 "[ . 1 . 2]" 1
113 1 19 TRP HH2 1 20 ARG QG 3.090 . 4.380 4.178 3.715 4.477 0.097 16 0 "[ . 1 . 2]" 1
114 1 18 LEU HB3 1 19 TRP HD1 3.650 . 5.500 5.536 5.513 5.562 0.062 13 0 "[ . 1 . 2]" 1
115 1 19 TRP HD1 1 20 ARG HB3 3.650 . 5.500 5.296 5.114 5.531 0.031 11 0 "[ . 1 . 2]" 1
116 1 18 LEU MD1 1 19 TRP HD1 3.640 . 5.480 5.514 5.487 5.540 0.060 9 0 "[ . 1 . 2]" 1
117 1 19 TRP HD1 1 20 ARG HA 3.525 . 5.250 5.287 5.185 5.333 0.083 6 0 "[ . 1 . 2]" 1
118 1 19 TRP HD1 1 20 ARG H 3.110 . 4.420 3.478 3.375 3.628 . 0 0 "[ . 1 . 2]" 1
119 1 19 TRP H 1 19 TRP HD1 3.025 . 4.250 3.375 3.272 3.458 . 0 0 "[ . 1 . 2]" 1
120 1 19 TRP HZ2 1 20 ARG QG 3.580 . 5.360 4.141 3.680 4.510 . 0 0 "[ . 1 . 2]" 1
121 1 19 TRP HZ2 1 23 ASN HB2 3.650 . 5.500 5.621 5.577 5.654 0.154 7 0 "[ . 1 . 2]" 1
122 1 19 TRP HZ3 1 24 ALA MB 3.650 . 5.500 5.347 4.996 5.502 0.002 14 0 "[ . 1 . 2]" 1
123 1 19 TRP HH2 1 24 ALA MB 3.650 . 5.500 5.484 5.221 5.568 0.068 19 0 "[ . 1 . 2]" 1
124 1 19 TRP HZ3 1 23 ASN HB3 3.545 . 5.290 2.829 2.704 3.047 . 0 0 "[ . 1 . 2]" 1
125 1 13 TYR QD 1 16 ASP HB3 3.500 . 5.200 4.296 4.036 4.643 . 0 0 "[ . 1 . 2]" 1
126 1 13 TYR QD 1 16 ASP HB2 3.280 . 4.760 4.843 4.778 4.880 0.120 11 0 "[ . 1 . 2]" 1
127 1 19 TRP HZ3 1 20 ARG QG 3.285 . 4.770 4.587 4.128 4.781 0.011 12 0 "[ . 1 . 2]" 1
128 1 19 TRP HZ3 1 23 ASN HB2 3.440 . 5.080 2.512 2.325 2.730 . 0 0 "[ . 1 . 2]" 1
129 1 19 TRP QB 1 19 TRP HZ3 3.475 . 5.150 4.995 4.924 5.038 . 0 0 "[ . 1 . 2]" 1
130 1 17 HIS HA 1 18 LEU H 2.680 . 3.560 3.442 3.409 3.478 . 0 0 "[ . 1 . 2]" 1
131 1 18 LEU H 1 18 LEU MD2 3.490 . 5.180 4.149 4.095 4.180 . 0 0 "[ . 1 . 2]" 1
132 1 18 LEU H 1 21 ALA MB 3.255 . 4.710 4.359 4.242 4.469 . 0 0 "[ . 1 . 2]" 1
133 1 18 LEU H 1 18 LEU HB2 2.510 . 3.220 2.500 2.428 2.544 . 0 0 "[ . 1 . 2]" 1
134 1 18 LEU H 1 18 LEU HB3 2.525 . 3.250 2.335 2.293 2.381 . 0 0 "[ . 1 . 2]" 1
135 1 16 ASP HB3 1 18 LEU H 3.650 . 5.500 4.315 4.210 4.387 . 0 0 "[ . 1 . 2]" 1
136 1 16 ASP HB2 1 18 LEU H 3.650 . 5.500 5.346 5.146 5.485 . 0 0 "[ . 1 . 2]" 1
137 1 17 HIS HB3 1 18 LEU H 2.935 . 4.070 4.061 4.009 4.096 0.026 8 0 "[ . 1 . 2]" 1
138 1 16 ASP H 1 18 LEU H 3.255 . 4.710 3.862 3.758 3.953 . 0 0 "[ . 1 . 2]" 1
139 1 18 LEU H 1 19 TRP H 2.700 . 3.600 2.632 2.573 2.709 . 0 0 "[ . 1 . 2]" 1
140 1 18 LEU HA 1 18 LEU MD1 2.640 . 3.480 3.280 3.202 3.338 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU HA 1 14 LEU HB2 2.315 . 2.830 2.586 2.509 2.667 . 0 0 "[ . 1 . 2]" 1
142 1 18 LEU HB2 1 19 TRP QB 3.650 . 5.500 5.534 5.497 5.563 0.063 18 0 "[ . 1 . 2]" 1
143 1 13 TYR HB3 1 14 LEU HB2 3.085 . 4.370 3.738 3.618 3.922 . 0 0 "[ . 1 . 2]" 1
144 1 15 SER HB3 1 16 ASP H 2.970 . 4.140 3.237 2.723 3.968 . 0 0 "[ . 1 . 2]" 1
145 1 15 SER HB2 1 16 ASP H 2.970 . 4.140 3.503 2.682 4.144 0.004 13 0 "[ . 1 . 2]" 1
146 1 14 LEU HA 1 14 LEU HG 2.725 . 3.650 3.220 2.751 3.707 0.057 3 0 "[ . 1 . 2]" 1
147 1 17 HIS HB2 1 18 LEU H 2.980 . 4.160 4.146 4.083 4.190 0.030 11 0 "[ . 1 . 2]" 1
148 1 20 ARG H 1 20 ARG HD3 3.100 . 4.400 4.303 4.111 4.468 0.068 3 0 "[ . 1 . 2]" 1
149 1 17 HIS H 1 17 HIS HB2 2.725 . 3.650 3.648 3.611 3.668 0.018 10 0 "[ . 1 . 2]" 1
150 1 20 ARG HD2 1 20 ARG QH1 3.185 . 4.570 2.638 1.853 3.174 . 0 0 "[ . 1 . 2]" 1
151 1 20 ARG HD3 1 20 ARG QH1 3.085 . 4.370 2.310 1.818 3.557 . 0 0 "[ . 1 . 2]" 1
152 1 13 TYR QE 1 17 HIS HB2 3.455 . 5.110 4.540 4.309 4.841 . 0 0 "[ . 1 . 2]" 1
153 1 20 ARG HD3 1 20 ARG QH2 3.105 . 4.410 4.054 3.976 4.237 . 0 0 "[ . 1 . 2]" 1
154 1 20 ARG HD2 1 20 ARG QH2 3.260 . 4.720 4.212 4.020 4.320 . 0 0 "[ . 1 . 2]" 1
155 1 20 ARG HB2 1 20 ARG HD3 2.695 . 3.590 2.258 2.048 2.559 . 0 0 "[ . 1 . 2]" 1
156 1 20 ARG HB2 1 20 ARG HD2 2.705 . 3.610 3.459 3.430 3.499 . 0 0 "[ . 1 . 2]" 1
157 1 18 LEU MD2 1 21 ALA MB 2.630 . 3.460 2.852 2.571 3.109 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLN QB 1 12 ASP HA 3.185 . 4.570 4.481 4.227 4.597 0.027 12 0 "[ . 1 . 2]" 1
159 1 13 TYR HA 1 16 ASP HB2 2.920 . 4.040 2.788 2.578 3.048 . 0 0 "[ . 1 . 2]" 1
160 1 13 TYR HA 1 16 ASP HB3 2.875 . 3.950 2.884 2.527 3.220 . 0 0 "[ . 1 . 2]" 1
161 1 16 ASP HB3 1 17 HIS HA 3.130 . 4.460 3.428 3.239 3.573 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER HA 1 13 TYR HB3 2.835 . 3.870 2.770 2.462 2.910 . 0 0 "[ . 1 . 2]" 1
163 1 10 SER HA 1 13 TYR HB2 3.015 . 4.230 3.585 2.992 3.981 . 0 0 "[ . 1 . 2]" 1
164 1 11 GLN QG 1 12 ASP H 3.120 . 4.440 2.574 2.097 3.352 . 0 0 "[ . 1 . 2]" 1
165 1 11 GLN HE22 1 11 GLN QG 2.670 . 3.540 3.219 3.167 3.314 . 0 0 "[ . 1 . 2]" 1
166 1 11 GLN QB 1 12 ASP H 2.765 . 3.730 3.470 2.560 3.719 . 0 0 "[ . 1 . 2]" 1
167 1 11 GLN H 1 11 GLN QB 2.500 . 3.200 2.456 1.987 2.642 . 0 0 "[ . 1 . 2]" 1
168 1 22 LEU H 1 23 ASN HB2 3.220 . 4.640 4.591 4.440 4.658 0.018 19 0 "[ . 1 . 2]" 1
169 1 19 TRP HH2 1 23 ASN HB2 3.050 . 4.300 4.210 4.141 4.290 . 0 0 "[ . 1 . 2]" 1
170 1 17 HIS H 1 18 LEU HB3 3.375 . 4.950 4.616 4.547 4.741 . 0 0 "[ . 1 . 2]" 1
171 1 19 TRP HE3 1 22 LEU HG 3.000 . 4.200 3.741 3.549 3.850 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU H 1 14 LEU HB3 2.560 . 3.320 2.739 2.613 2.900 . 0 0 "[ . 1 . 2]" 1
173 1 17 HIS HD2 1 18 LEU HB2 3.005 . 4.210 2.999 2.872 3.120 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU H 1 14 LEU HB2 2.500 . 3.200 2.023 1.940 2.115 . 0 0 "[ . 1 . 2]" 1
175 1 17 HIS H 1 18 LEU HB2 3.540 . 5.280 4.787 4.714 4.873 . 0 0 "[ . 1 . 2]" 1
176 1 13 TYR QD 1 14 LEU HB2 2.810 . 3.820 3.557 3.528 3.591 . 0 0 "[ . 1 . 2]" 1
177 1 13 TYR QE 1 14 LEU HB2 3.650 . 5.500 5.536 5.511 5.563 0.063 1 0 "[ . 1 . 2]" 1
178 1 17 HIS HD2 1 21 ALA MB 3.615 . 5.430 5.144 4.949 5.298 . 0 0 "[ . 1 . 2]" 1
179 1 19 TRP HE3 1 22 LEU MD2 2.770 . 3.740 3.825 3.811 3.842 0.102 18 0 "[ . 1 . 2]" 1
180 1 19 TRP QB 1 19 TRP HE3 2.540 . 3.280 2.813 2.720 2.878 . 0 0 "[ . 1 . 2]" 1
181 1 17 HIS H 1 17 HIS HB3 2.610 . 3.420 2.539 2.477 2.573 . 0 0 "[ . 1 . 2]" 1
182 1 17 HIS HB3 1 17 HIS HD2 2.650 . 3.500 3.408 3.342 3.477 . 0 0 "[ . 1 . 2]" 1
183 1 13 TYR HB3 1 14 LEU H 2.815 . 3.830 2.394 2.241 2.539 . 0 0 "[ . 1 . 2]" 1
184 1 13 TYR H 1 13 TYR HB3 2.655 . 3.510 2.344 2.203 2.481 . 0 0 "[ . 1 . 2]" 1
185 1 13 TYR HB2 1 14 LEU H 2.900 . 4.000 3.749 3.656 3.849 . 0 0 "[ . 1 . 2]" 1
186 1 13 TYR H 1 13 TYR HB2 2.650 . 3.500 2.599 2.515 2.724 . 0 0 "[ . 1 . 2]" 1
187 1 16 ASP HB2 1 17 HIS H 2.850 . 3.900 3.273 3.073 3.391 . 0 0 "[ . 1 . 2]" 1
188 1 16 ASP H 1 16 ASP HB2 2.565 . 3.330 2.396 2.190 2.587 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASP H 1 12 ASP HB3 2.755 . 3.710 3.028 2.305 3.652 . 0 0 "[ . 1 . 2]" 1
190 1 16 ASP HB3 1 17 HIS H 2.760 . 3.720 1.941 1.865 2.112 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASP H 1 16 ASP HB3 2.675 . 3.550 2.696 2.577 2.938 . 0 0 "[ . 1 . 2]" 1
192 1 12 ASP H 1 12 ASP HB2 2.755 . 3.710 2.672 2.464 3.676 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU HA 1 17 HIS HD2 2.770 . 3.740 2.272 2.009 2.394 . 0 0 "[ . 1 . 2]" 1
194 1 19 TRP HA 1 19 TRP HE3 2.715 . 3.630 3.599 3.516 3.654 0.024 8 0 "[ . 1 . 2]" 1
195 1 13 TYR QE 1 14 LEU HA 3.065 . 4.330 4.176 4.056 4.293 . 0 0 "[ . 1 . 2]" 1
196 1 13 TYR QD 1 14 LEU HA 2.725 . 3.650 2.875 2.752 2.996 . 0 0 "[ . 1 . 2]" 1
197 1 17 HIS HD2 1 18 LEU HA 3.020 . 4.240 3.934 3.724 4.110 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASP HA 1 20 ARG H 3.190 . 4.580 4.422 4.061 4.584 0.004 15 0 "[ . 1 . 2]" 1
199 1 10 SER HA 1 13 TYR H 3.020 . 4.240 3.346 3.004 3.555 . 0 0 "[ . 1 . 2]" 1
200 1 13 TYR HA 1 13 TYR QD 2.515 . 3.230 2.801 2.645 2.935 . 0 0 "[ . 1 . 2]" 1
201 1 13 TYR HA 1 13 TYR QE 3.460 . 5.120 4.691 4.593 4.820 . 0 0 "[ . 1 . 2]" 1
202 1 17 HIS HD2 1 18 LEU H 3.260 . 4.720 1.951 1.864 2.016 . 0 0 "[ . 1 . 2]" 1
203 1 13 TYR QD 1 14 LEU H 2.895 . 3.990 3.190 3.048 3.313 . 0 0 "[ . 1 . 2]" 1
204 1 17 HIS H 1 17 HIS HD2 3.080 . 4.360 2.373 2.260 2.550 . 0 0 "[ . 1 . 2]" 1
205 1 13 TYR H 1 13 TYR QD 2.980 . 4.160 4.147 4.076 4.199 0.039 6 0 "[ . 1 . 2]" 1
206 1 13 TYR QD 1 17 HIS HE1 3.035 . 4.270 4.383 4.359 4.418 0.148 12 0 "[ . 1 . 2]" 1
207 1 13 TYR QE 1 17 HIS HE1 3.005 . 4.210 2.931 2.768 3.071 . 0 0 "[ . 1 . 2]" 1
208 1 15 SER H 1 18 LEU H 3.365 . 4.930 4.892 4.785 4.947 0.017 1 0 "[ . 1 . 2]" 1
209 1 11 GLN H 1 12 ASP H 2.685 . 3.570 2.668 2.461 2.871 . 0 0 "[ . 1 . 2]" 1
210 1 12 ASP H 1 13 TYR H 2.755 . 3.710 2.448 2.346 2.573 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU H 1 18 LEU MD1 2.875 . 3.950 3.984 3.968 3.999 0.049 8 0 "[ . 1 . 2]" 1
212 1 17 HIS HD2 1 18 LEU MD1 3.455 . 5.110 5.214 5.178 5.264 0.154 14 0 "[ . 1 . 2]" 1
213 1 20 ARG HA 1 23 ASN HB2 2.670 . 3.540 2.571 2.308 2.750 . 0 0 "[ . 1 . 2]" 1
214 1 20 ARG HA 1 20 ARG QG 2.650 . 3.500 2.196 2.143 2.293 . 0 0 "[ . 1 . 2]" 1
215 1 17 HIS HA 1 20 ARG HB2 3.010 . 4.220 3.612 3.236 3.912 . 0 0 "[ . 1 . 2]" 1
216 1 17 HIS H 1 19 TRP H 3.310 . 4.820 4.276 4.226 4.367 . 0 0 "[ . 1 . 2]" 1
217 1 17 HIS H 1 18 LEU H 2.685 . 3.570 2.539 2.481 2.585 . 0 0 "[ . 1 . 2]" 1
218 1 19 TRP HE3 1 20 ARG H 3.110 . 4.420 4.237 4.107 4.309 . 0 0 "[ . 1 . 2]" 1
219 1 19 TRP HZ3 1 22 LEU MD1 3.510 . 5.220 5.178 5.064 5.242 0.022 5 0 "[ . 1 . 2]" 1
220 1 19 TRP HH2 1 23 ASN HD21 3.650 . 5.500 5.468 5.397 5.516 0.016 6 0 "[ . 1 . 2]" 1
221 1 17 HIS HB2 1 17 HIS HE1 3.355 . 4.910 4.723 4.698 4.744 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU HA 1 17 HIS HE1 3.360 . 4.920 4.347 4.230 4.498 . 0 0 "[ . 1 . 2]" 1
223 1 17 HIS HE1 1 21 ALA MB 3.650 . 5.500 5.635 5.589 5.679 0.179 12 0 "[ . 1 . 2]" 1
224 1 10 SER HA 1 13 TYR QD 3.170 . 4.540 4.378 4.097 4.550 0.010 4 0 "[ . 1 . 2]" 1
225 1 20 ARG H 1 23 ASN HD21 3.650 . 5.500 4.711 4.594 4.856 . 0 0 "[ . 1 . 2]" 1
226 1 21 ALA H 1 23 ASN HD21 3.650 . 5.500 5.295 5.089 5.489 . 0 0 "[ . 1 . 2]" 1
227 1 19 TRP HE3 1 22 LEU H 3.650 . 5.500 5.173 4.938 5.339 . 0 0 "[ . 1 . 2]" 1
228 1 19 TRP HZ3 1 20 ARG HA 3.155 . 4.510 3.827 3.641 3.998 . 0 0 "[ . 1 . 2]" 1
229 1 19 TRP HE3 1 20 ARG HA 2.805 . 3.810 3.324 3.123 3.471 . 0 0 "[ . 1 . 2]" 1
230 1 16 ASP HA 1 18 LEU H 3.520 . 5.240 4.421 4.347 4.558 . 0 0 "[ . 1 . 2]" 1
231 1 13 TYR H 1 14 LEU H 2.755 . 3.710 2.519 2.363 2.646 . 0 0 "[ . 1 . 2]" 1
232 1 19 TRP HE3 1 20 ARG HD3 3.650 . 5.500 5.403 4.671 5.696 0.196 6 0 "[ . 1 . 2]" 1
233 1 11 GLN QG 1 13 TYR H 3.650 . 5.500 4.764 4.078 5.046 . 0 0 "[ . 1 . 2]" 1
234 1 17 HIS HB2 1 21 ALA MB 3.465 . 5.130 3.981 3.802 4.124 . 0 0 "[ . 1 . 2]" 1
235 1 19 TRP QB 1 20 ARG HB2 3.365 . 4.930 4.600 4.468 4.749 . 0 0 "[ . 1 . 2]" 1
236 1 19 TRP HA 1 23 ASN HD21 2.845 . 3.890 3.442 3.283 3.631 . 0 0 "[ . 1 . 2]" 1
237 1 22 LEU H 1 23 ASN HD21 3.650 . 5.500 3.968 3.797 4.089 . 0 0 "[ . 1 . 2]" 1
238 1 16 ASP HB3 1 17 HIS HD2 3.610 . 5.420 4.231 4.035 4.645 . 0 0 "[ . 1 . 2]" 1
239 1 16 ASP HB2 1 17 HIS HD2 3.565 . 5.330 5.352 5.266 5.404 0.074 14 0 "[ . 1 . 2]" 1
240 1 16 ASP HA 1 19 TRP HD1 3.070 . 4.340 1.941 1.820 2.097 . 0 0 "[ . 1 . 2]" 1
241 1 13 TYR QE 1 17 HIS HB3 3.435 . 5.070 3.714 3.475 3.986 . 0 0 "[ . 1 . 2]" 1
242 1 10 SER H 1 10 SER QB 2.740 . 3.680 2.493 2.412 2.598 . 0 0 "[ . 1 . 2]" 1
243 1 10 SER QB 1 11 GLN H 2.695 . 3.590 3.165 2.826 3.653 0.063 15 0 "[ . 1 . 2]" 1
244 1 10 SER QB 1 13 TYR QD 3.185 . 4.570 4.073 3.368 4.540 . 0 0 "[ . 1 . 2]" 1
245 1 10 SER QB 1 14 LEU HB2 3.205 . 4.610 3.743 3.221 4.280 . 0 0 "[ . 1 . 2]" 1
246 1 10 SER QB 1 14 LEU QD 2.890 . 3.980 3.492 3.095 3.961 . 0 0 "[ . 1 . 2]" 1
247 1 11 GLN H 1 11 GLN QE 3.570 . 5.340 4.444 4.158 5.003 . 0 0 "[ . 1 . 2]" 1
248 1 11 GLN QB 1 11 GLN QE 3.175 . 4.550 3.490 2.585 3.712 . 0 0 "[ . 1 . 2]" 1
249 1 12 ASP H 1 12 ASP QB 2.525 . 3.250 2.426 2.213 2.868 . 0 0 "[ . 1 . 2]" 1
250 1 12 ASP QB 1 13 TYR H 2.745 . 3.690 2.509 2.328 3.353 . 0 0 "[ . 1 . 2]" 1
251 1 13 TYR HA 1 14 LEU QD 3.620 . 5.440 5.466 5.325 5.544 0.104 15 0 "[ . 1 . 2]" 1
252 1 13 TYR HB3 1 14 LEU QD 2.980 . 4.160 4.206 4.165 4.255 0.095 10 0 "[ . 1 . 2]" 1
253 1 13 TYR QD 1 14 LEU QD 2.665 . 3.530 2.912 2.657 3.089 . 0 0 "[ . 1 . 2]" 1
254 1 13 TYR QE 1 14 LEU QD 2.835 . 3.870 3.636 3.323 3.880 0.010 10 0 "[ . 1 . 2]" 1
255 1 14 LEU H 1 14 LEU QD 2.795 . 3.790 3.383 3.329 3.427 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU HA 1 14 LEU QD 2.340 . 2.880 1.939 1.896 1.975 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU HB3 1 14 LEU QD 2.395 . 2.990 2.303 2.233 2.393 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU QD 1 15 SER H 3.190 . 4.580 3.785 3.542 4.008 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU QD 1 17 HIS HD2 2.970 . 4.140 3.173 2.815 3.564 . 0 0 "[ . 1 . 2]" 1
260 1 15 SER QB 1 16 ASP H 2.695 . 3.590 2.751 2.630 3.005 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 57.303
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0292
_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 10 SER 0.294 0.045 20 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.241 0.063 20 0 "[ . 1 . 2]"
1 13 TYR 0.355 0.042 2 0 "[ . 1 . 2]"
1 14 LEU 0.921 0.114 4 0 "[ . 1 . 2]"
1 15 SER 0.166 0.041 17 0 "[ . 1 . 2]"
1 16 ASP 0.662 0.063 20 0 "[ . 1 . 2]"
1 17 HIS 1.116 0.074 7 0 "[ . 1 . 2]"
1 18 LEU 0.627 0.114 4 0 "[ . 1 . 2]"
1 19 TRP 0.166 0.041 17 0 "[ . 1 . 2]"
1 20 ARG 0.420 0.043 20 0 "[ . 1 . 2]"
1 21 ALA 0.761 0.074 7 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 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 10 SER O 1 14 LEU H 2.000 . 2.300 1.883 1.820 2.175 . 0 0 "[ . 1 . 2]" 2
2 1 10 SER O 1 14 LEU N 3.000 2.800 3.300 2.814 2.755 3.048 0.045 20 0 "[ . 1 . 2]" 2
3 1 11 GLN O 1 15 SER H 2.000 . 2.300 1.994 1.843 2.215 . 0 0 "[ . 1 . 2]" 2
4 1 11 GLN O 1 15 SER N 3.000 2.800 3.300 2.944 2.817 3.167 . 0 0 "[ . 1 . 2]" 2
5 1 12 ASP O 1 16 ASP H 2.000 . 2.300 2.200 1.894 2.363 0.063 20 0 "[ . 1 . 2]" 2
6 1 12 ASP O 1 16 ASP N 3.000 2.800 3.300 3.005 2.766 3.172 0.034 19 0 "[ . 1 . 2]" 2
7 1 13 TYR O 1 17 HIS H 2.000 . 2.300 1.819 1.776 1.894 0.024 2 0 "[ . 1 . 2]" 2
8 1 13 TYR O 1 17 HIS N 3.000 2.800 3.300 2.801 2.758 2.873 0.042 2 0 "[ . 1 . 2]" 2
9 1 14 LEU O 1 18 LEU H 2.000 . 2.300 2.281 2.009 2.414 0.114 4 0 "[ . 1 . 2]" 2
10 1 14 LEU O 1 18 LEU N 3.000 2.800 3.300 3.154 2.926 3.292 . 0 0 "[ . 1 . 2]" 2
11 1 15 SER O 1 19 TRP H 2.000 . 2.300 2.228 1.904 2.341 0.041 17 0 "[ . 1 . 2]" 2
12 1 15 SER O 1 19 TRP N 3.000 2.800 3.300 3.136 2.853 3.261 . 0 0 "[ . 1 . 2]" 2
13 1 16 ASP O 1 20 ARG H 2.000 . 2.300 2.222 1.907 2.343 0.043 20 0 "[ . 1 . 2]" 2
14 1 16 ASP O 1 20 ARG N 3.000 2.800 3.300 3.187 2.885 3.316 0.016 6 0 "[ . 1 . 2]" 2
15 1 17 HIS O 1 21 ALA H 2.000 . 2.300 1.946 1.853 2.076 . 0 0 "[ . 1 . 2]" 2
16 1 17 HIS O 1 21 ALA N 3.000 2.800 3.300 2.763 2.726 2.810 0.074 7 0 "[ . 1 . 2]" 2
17 1 18 LEU O 1 22 LEU H 2.000 . 2.300 2.137 2.057 2.248 . 0 0 "[ . 1 . 2]" 2
18 1 18 LEU O 1 22 LEU N 3.000 2.800 3.300 2.999 2.945 3.085 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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