NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655306 |
7l55   |
30830 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7l55
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 254
_Distance_constraint_stats_list.Viol_count 364
_Distance_constraint_stats_list.Viol_total 297.889
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0409
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.158 0.125 6 0 "[ . 1 . 2]"
1 2 PHE 1.051 0.095 14 0 "[ . 1 . 2]"
1 3 CYS 0.153 0.039 3 0 "[ . 1 . 2]"
1 4 TRP 0.537 0.120 16 0 "[ . 1 . 2]"
1 5 HIS 0.385 0.082 6 0 "[ . 1 . 2]"
1 6 HIS 0.235 0.053 10 0 "[ . 1 . 2]"
1 7 SER 0.665 0.081 17 0 "[ . 1 . 2]"
1 8 CYS 0.521 0.081 17 0 "[ . 1 . 2]"
1 9 VAL 0.784 0.095 14 0 "[ . 1 . 2]"
1 10 PRO 0.376 0.050 14 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.376 0.050 14 0 "[ . 1 . 2]"
1 13 THR 1.215 0.179 6 0 "[ . 1 . 2]"
1 14 CYS 0.616 0.089 1 0 "[ . 1 . 2]"
1 15 ALA 0.706 0.096 8 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 3.544 0.196 8 0 "[ . 1 . 2]"
1 18 PRO 1.304 0.131 18 0 "[ . 1 . 2]"
1 19 TRP 2.559 0.174 7 0 "[ . 1 . 2]"
1 20 PRO 4.081 0.174 7 0 "[ . 1 . 2]"
1 21 LEU 3.776 0.196 8 0 "[ . 1 . 2]"
1 22 GLY 0.415 0.163 9 0 "[ . 1 . 2]"
1 23 HIS 0.405 0.160 3 0 "[ . 1 . 2]"
1 24 GLN 0.963 0.143 3 0 "[ . 1 . 2]"
1 25 CYS 0.750 0.124 8 0 "[ . 1 . 2]"
1 26 PHE 1.115 0.102 13 0 "[ . 1 . 2]"
1 27 PRO 1.052 0.102 13 0 "[ . 1 . 2]"
1 28 ASP 0.399 0.125 6 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 23 HIS H 1 23 HIS QB 2.650 . 3.500 2.562 2.323 3.336 . 0 0 "[ . 1 . 2]" 1
2 1 23 HIS QB 1 23 HIS HD2 2.635 . 3.470 2.867 2.674 3.058 . 0 0 "[ . 1 . 2]" 1
3 1 23 HIS HA 1 24 GLN H 2.530 . 3.260 2.279 1.996 3.296 0.036 3 0 "[ . 1 . 2]" 1
4 1 25 CYS H 1 25 CYS QB 2.575 . 3.350 3.158 2.362 3.375 0.025 12 0 "[ . 1 . 2]" 1
5 1 25 CYS HA 1 26 PHE H 2.560 . 3.320 2.381 2.027 2.802 . 0 0 "[ . 1 . 2]" 1
6 1 21 LEU H 1 22 GLY H 2.775 . 3.750 2.678 2.478 2.866 . 0 0 "[ . 1 . 2]" 1
7 1 14 CYS HA 1 15 ALA H 2.590 . 3.380 2.264 2.084 2.489 . 0 0 "[ . 1 . 2]" 1
8 1 15 ALA H 1 15 ALA MB 2.560 . 3.320 2.461 2.218 2.697 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS HB2 1 15 ALA H 3.130 . 4.460 4.073 3.792 4.430 . 0 0 "[ . 1 . 2]" 1
10 1 14 CYS HB3 1 15 ALA H 3.130 . 4.460 3.521 2.566 4.243 . 0 0 "[ . 1 . 2]" 1
11 1 15 ALA HA 1 16 ASP H 2.385 . 2.970 2.223 2.114 2.444 . 0 0 "[ . 1 . 2]" 1
12 1 15 ALA MB 1 16 ASP H 2.570 . 3.340 2.776 2.392 3.086 . 0 0 "[ . 1 . 2]" 1
13 1 16 ASP H 1 16 ASP HB2 2.815 . 3.830 3.011 2.449 3.705 . 0 0 "[ . 1 . 2]" 1
14 1 16 ASP H 1 16 ASP HB3 2.815 . 3.830 2.967 2.306 3.699 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL H 1 9 VAL MG2 3.020 . 4.240 2.298 1.916 3.744 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL H 1 9 VAL MG1 3.020 . 4.240 3.691 2.215 3.819 . 0 0 "[ . 1 . 2]" 1
17 1 8 CYS H 1 8 CYS QB 2.835 . 3.870 2.538 2.392 2.693 . 0 0 "[ . 1 . 2]" 1
18 1 8 CYS HA 1 9 VAL H 2.565 . 3.330 2.144 2.032 2.244 . 0 0 "[ . 1 . 2]" 1
19 1 7 SER H 1 7 SER HB3 2.935 . 4.070 3.520 2.719 3.964 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER H 1 7 SER HB2 2.935 . 4.070 2.609 2.346 3.492 . 0 0 "[ . 1 . 2]" 1
21 1 4 TRP HB2 1 5 HIS H 3.215 . 4.630 2.142 1.782 3.747 0.018 3 0 "[ . 1 . 2]" 1
22 1 2 PHE H 1 2 PHE HB3 3.000 . 4.200 3.142 2.615 3.634 . 0 0 "[ . 1 . 2]" 1
23 1 2 PHE H 1 2 PHE HB2 3.000 . 4.200 3.789 3.556 4.070 . 0 0 "[ . 1 . 2]" 1
24 1 13 THR H 1 13 THR MG 3.650 . 5.500 3.139 1.808 3.900 . 0 0 "[ . 1 . 2]" 1
25 1 13 THR HB 1 14 CYS H 2.970 . 4.140 3.867 3.108 4.217 0.077 12 0 "[ . 1 . 2]" 1
26 1 13 THR MG 1 14 CYS H 3.045 . 4.290 3.281 2.336 4.017 . 0 0 "[ . 1 . 2]" 1
27 1 2 PHE HA 1 3 CYS H 2.455 . 3.110 2.191 2.026 2.508 . 0 0 "[ . 1 . 2]" 1
28 1 28 ASP H 1 28 ASP HB3 2.905 . 4.010 2.983 2.532 3.732 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 4 TRP H 2.475 . 3.150 2.199 2.050 2.336 . 0 0 "[ . 1 . 2]" 1
30 1 19 TRP H 1 19 TRP HB3 2.675 . 3.550 2.992 1.980 3.560 0.010 7 0 "[ . 1 . 2]" 1
31 1 19 TRP H 1 19 TRP HB2 2.675 . 3.550 2.541 2.199 3.154 . 0 0 "[ . 1 . 2]" 1
32 1 4 TRP HB3 1 5 HIS H 3.215 . 4.630 2.703 1.948 3.256 . 0 0 "[ . 1 . 2]" 1
33 1 6 HIS H 1 6 HIS HB2 2.980 . 4.160 3.045 2.471 3.928 . 0 0 "[ . 1 . 2]" 1
34 1 10 PRO HA 1 11 SER H 2.430 . 3.060 2.271 2.120 2.377 . 0 0 "[ . 1 . 2]" 1
35 1 10 PRO HB2 1 11 SER H 2.770 . 3.740 3.013 2.591 3.646 . 0 0 "[ . 1 . 2]" 1
36 1 10 PRO HB3 1 11 SER H 2.925 . 4.050 3.289 2.842 3.595 . 0 0 "[ . 1 . 2]" 1
37 1 11 SER H 1 11 SER QB 2.445 . 3.090 2.381 2.200 2.694 . 0 0 "[ . 1 . 2]" 1
38 1 11 SER HA 1 12 GLY H 2.615 . 3.430 2.145 2.027 2.269 . 0 0 "[ . 1 . 2]" 1
39 1 9 VAL HA 1 10 PRO HD2 2.530 . 3.260 2.229 1.997 2.697 . 0 0 "[ . 1 . 2]" 1
40 1 9 VAL HA 1 10 PRO HD3 2.530 . 3.260 2.336 1.982 2.721 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL MG2 1 10 PRO HD2 3.270 . 4.740 3.697 2.058 4.292 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL MG2 1 10 PRO HD3 3.270 . 4.740 4.311 3.120 4.725 . 0 0 "[ . 1 . 2]" 1
43 1 17 PHE HA 1 18 PRO HD2 2.395 . 2.990 2.661 2.169 2.999 0.009 1 0 "[ . 1 . 2]" 1
44 1 17 PHE HA 1 18 PRO HD3 2.655 . 3.510 2.327 2.020 2.754 . 0 0 "[ . 1 . 2]" 1
45 1 19 TRP HA 1 20 PRO HA 2.385 . 2.970 2.144 1.853 2.298 . 0 0 "[ . 1 . 2]" 1
46 1 17 PHE H 1 17 PHE QD 2.870 . 3.940 2.960 2.676 3.356 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS H 1 4 TRP H 3.200 . 4.600 4.274 3.872 4.415 . 0 0 "[ . 1 . 2]" 1
48 1 22 GLY H 1 23 HIS H 3.250 . 4.700 4.456 3.767 4.601 . 0 0 "[ . 1 . 2]" 1
49 1 20 PRO HD2 1 21 LEU HB2 3.650 . 5.500 4.737 4.355 5.543 0.043 9 0 "[ . 1 . 2]" 1
50 1 20 PRO HA 1 21 LEU HB2 3.400 . 5.000 5.014 4.490 5.127 0.127 11 0 "[ . 1 . 2]" 1
51 1 21 LEU H 1 21 LEU HB3 2.835 . 3.870 3.504 3.288 3.557 . 0 0 "[ . 1 . 2]" 1
52 1 4 TRP HA 1 4 TRP HE3 3.470 . 5.140 4.774 4.419 5.113 . 0 0 "[ . 1 . 2]" 1
53 1 5 HIS HA 1 5 HIS HD2 3.105 . 4.410 3.821 2.409 4.382 . 0 0 "[ . 1 . 2]" 1
54 1 6 HIS HA 1 6 HIS HD1 3.130 . 4.460 3.929 3.069 4.513 0.053 10 0 "[ . 1 . 2]" 1
55 1 17 PHE HA 1 17 PHE QD 2.540 . 3.280 2.767 2.419 2.983 . 0 0 "[ . 1 . 2]" 1
56 1 23 HIS HA 1 23 HIS HD2 3.125 . 4.450 3.424 2.480 4.521 0.071 13 0 "[ . 1 . 2]" 1
57 1 6 HIS H 1 6 HIS HB3 2.980 . 4.160 3.487 2.381 4.162 0.002 4 0 "[ . 1 . 2]" 1
58 1 6 HIS HB3 1 7 SER H 3.650 . 5.500 3.524 2.235 4.419 . 0 0 "[ . 1 . 2]" 1
59 1 6 HIS HB2 1 7 SER H 3.650 . 5.500 3.358 2.384 4.064 . 0 0 "[ . 1 . 2]" 1
60 1 6 HIS HA 1 7 SER H 2.655 . 3.510 3.448 2.934 3.520 0.010 9 0 "[ . 1 . 2]" 1
61 1 25 CYS QB 1 26 PHE H 2.945 . 4.090 2.902 2.004 3.747 . 0 0 "[ . 1 . 2]" 1
62 1 7 SER HB2 1 8 CYS H 3.005 . 4.210 4.131 3.153 4.291 0.081 17 0 "[ . 1 . 2]" 1
63 1 8 CYS QB 1 9 VAL H 3.030 . 4.260 3.328 2.801 3.951 . 0 0 "[ . 1 . 2]" 1
64 1 4 TRP HA 1 4 TRP HD1 2.510 . 3.220 2.920 2.484 3.239 0.019 15 0 "[ . 1 . 2]" 1
65 1 14 CYS HA 1 25 CYS HA 2.445 . 3.090 2.004 1.817 2.318 . 0 0 "[ . 1 . 2]" 1
66 1 27 PRO HB2 1 28 ASP H 3.150 . 4.500 2.966 1.922 4.145 . 0 0 "[ . 1 . 2]" 1
67 1 2 PHE HA 1 2 PHE QD 2.830 . 3.860 3.749 3.671 3.783 . 0 0 "[ . 1 . 2]" 1
68 1 21 LEU HB3 1 22 GLY H 3.095 . 4.390 3.193 2.933 4.016 . 0 0 "[ . 1 . 2]" 1
69 1 27 PRO HB3 1 28 ASP H 3.150 . 4.500 3.913 3.471 4.489 . 0 0 "[ . 1 . 2]" 1
70 1 26 PHE HA 1 26 PHE QD 3.150 . 4.500 3.063 2.430 3.762 . 0 0 "[ . 1 . 2]" 1
71 1 19 TRP H 1 19 TRP HD1 2.770 . 3.740 3.138 2.714 3.761 0.021 12 0 "[ . 1 . 2]" 1
72 1 26 PHE H 1 26 PHE QD 2.885 . 3.970 2.815 1.894 3.394 . 0 0 "[ . 1 . 2]" 1
73 1 2 PHE QD 1 3 CYS H 3.090 . 4.380 4.049 3.446 4.419 0.039 3 0 "[ . 1 . 2]" 1
74 1 20 PRO QG 1 21 LEU H 3.455 . 5.110 3.626 2.524 4.181 . 0 0 "[ . 1 . 2]" 1
75 1 21 LEU H 1 21 LEU MD1 3.475 . 5.150 3.705 3.438 5.089 . 0 0 "[ . 1 . 2]" 1
76 1 21 LEU H 1 21 LEU MD2 3.475 . 5.150 3.622 3.403 4.305 . 0 0 "[ . 1 . 2]" 1
77 1 20 PRO HD3 1 21 LEU H 3.650 . 5.500 3.924 3.504 4.167 . 0 0 "[ . 1 . 2]" 1
78 1 2 PHE H 1 9 VAL HB 3.300 . 4.800 2.934 1.956 4.452 . 0 0 "[ . 1 . 2]" 1
79 1 13 THR HA 1 13 THR MG 2.390 . 2.980 2.434 2.185 3.159 0.179 6 0 "[ . 1 . 2]" 1
80 1 15 ALA H 1 25 CYS HA 2.920 . 4.040 2.589 1.744 4.079 0.056 19 0 "[ . 1 . 2]" 1
81 1 17 PHE H 1 18 PRO HD2 3.480 . 5.160 4.924 4.623 5.180 0.020 16 0 "[ . 1 . 2]" 1
82 1 17 PHE H 1 21 LEU HB2 3.650 . 5.500 4.690 4.229 5.124 . 0 0 "[ . 1 . 2]" 1
83 1 10 PRO QG 1 11 SER H 3.550 . 5.300 4.388 4.171 4.810 . 0 0 "[ . 1 . 2]" 1
84 1 20 PRO HA 1 22 GLY H 3.650 . 5.500 4.520 3.911 5.663 0.163 9 0 "[ . 1 . 2]" 1
85 1 15 ALA MB 1 24 GLN H 3.650 . 5.500 4.720 3.909 5.501 0.001 17 0 "[ . 1 . 2]" 1
86 1 5 HIS HA 1 7 SER H 3.650 . 5.500 4.673 3.609 5.267 . 0 0 "[ . 1 . 2]" 1
87 1 10 PRO HB2 1 12 GLY H 3.650 . 5.500 5.479 5.209 5.550 0.050 14 0 "[ . 1 . 2]" 1
88 1 9 VAL HA 1 9 VAL MG1 2.590 . 3.380 2.436 2.334 3.244 . 0 0 "[ . 1 . 2]" 1
89 1 9 VAL HA 1 9 VAL MG2 2.590 . 3.380 2.457 2.349 2.550 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU HA 1 21 LEU MD1 2.835 . 3.870 3.742 2.646 3.889 0.019 20 0 "[ . 1 . 2]" 1
91 1 21 LEU HA 1 21 LEU MD2 2.835 . 3.870 2.121 1.900 3.010 . 0 0 "[ . 1 . 2]" 1
92 1 21 LEU HB2 1 21 LEU MD2 2.500 . 3.200 3.126 2.586 3.196 . 0 0 "[ . 1 . 2]" 1
93 1 21 LEU HB2 1 21 LEU MD1 2.500 . 3.200 2.400 2.254 3.143 . 0 0 "[ . 1 . 2]" 1
94 1 19 TRP HA 1 21 LEU H 2.745 . 3.690 2.473 2.066 3.195 . 0 0 "[ . 1 . 2]" 1
95 1 19 TRP HA 1 22 GLY H 3.650 . 5.500 3.026 2.453 4.695 . 0 0 "[ . 1 . 2]" 1
96 1 6 HIS H 1 7 SER H 2.600 . 3.400 2.318 1.790 3.440 0.040 17 0 "[ . 1 . 2]" 1
97 1 2 PHE HB2 1 3 CYS H 3.060 . 4.320 2.892 2.326 3.218 . 0 0 "[ . 1 . 2]" 1
98 1 2 PHE HB3 1 3 CYS H 3.060 . 4.320 3.908 3.635 4.151 . 0 0 "[ . 1 . 2]" 1
99 1 23 HIS QB 1 24 GLN H 3.260 . 4.720 3.753 3.635 3.981 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLY H 1 13 THR H 3.005 . 4.210 2.393 2.079 3.112 . 0 0 "[ . 1 . 2]" 1
101 1 2 PHE QD 1 9 VAL MG1 2.985 . 4.170 3.964 2.940 4.220 0.050 13 0 "[ . 1 . 2]" 1
102 1 2 PHE QD 1 13 THR MG 2.900 . 4.000 3.242 2.137 4.088 0.088 11 0 "[ . 1 . 2]" 1
103 1 2 PHE QD 1 9 VAL HB 3.110 . 4.420 3.569 3.157 4.014 . 0 0 "[ . 1 . 2]" 1
104 1 17 PHE HA 1 17 PHE QE 3.175 . 4.550 4.503 4.217 4.596 0.046 15 0 "[ . 1 . 2]" 1
105 1 17 PHE QE 1 24 GLN HB2 2.935 . 4.070 2.662 2.232 3.157 . 0 0 "[ . 1 . 2]" 1
106 1 17 PHE QE 1 24 GLN HB3 2.935 . 4.070 3.884 3.387 4.093 0.023 1 0 "[ . 1 . 2]" 1
107 1 15 ALA MB 1 17 PHE QE 2.520 . 3.240 2.414 1.962 2.847 . 0 0 "[ . 1 . 2]" 1
108 1 17 PHE QE 1 21 LEU MD1 3.650 . 5.500 4.401 3.660 5.660 0.160 9 0 "[ . 1 . 2]" 1
109 1 17 PHE QE 1 21 LEU MD2 3.650 . 5.500 5.329 4.432 5.574 0.074 3 0 "[ . 1 . 2]" 1
110 1 2 PHE QE 1 13 THR HB 3.065 . 4.330 3.065 2.340 4.390 0.060 13 0 "[ . 1 . 2]" 1
111 1 26 PHE QD 1 27 PRO HD2 3.240 . 4.680 3.265 2.491 3.655 . 0 0 "[ . 1 . 2]" 1
112 1 2 PHE QE 1 9 VAL HB 3.650 . 5.500 3.691 2.996 4.431 . 0 0 "[ . 1 . 2]" 1
113 1 2 PHE QE 1 13 THR MG 2.600 . 3.400 2.355 1.960 3.110 . 0 0 "[ . 1 . 2]" 1
114 1 2 PHE QE 1 9 VAL MG1 3.175 . 4.550 3.143 2.530 3.811 . 0 0 "[ . 1 . 2]" 1
115 1 17 PHE QD 1 18 PRO HD2 2.620 . 3.440 2.838 2.033 3.312 . 0 0 "[ . 1 . 2]" 1
116 1 17 PHE QD 1 24 GLN HG2 2.920 . 4.040 2.904 2.104 3.371 . 0 0 "[ . 1 . 2]" 1
117 1 17 PHE QD 1 24 GLN HB2 3.220 . 4.640 2.551 2.037 3.299 . 0 0 "[ . 1 . 2]" 1
118 1 17 PHE QD 1 24 GLN HG3 2.920 . 4.040 3.430 2.609 4.164 0.124 8 0 "[ . 1 . 2]" 1
119 1 17 PHE QD 1 24 GLN HB3 3.220 . 4.640 3.906 2.693 4.453 . 0 0 "[ . 1 . 2]" 1
120 1 15 ALA MB 1 17 PHE QD 2.740 . 3.680 3.372 2.496 3.749 0.069 5 0 "[ . 1 . 2]" 1
121 1 17 PHE QD 1 21 LEU MD2 3.175 . 4.550 4.321 2.834 4.588 0.038 12 0 "[ . 1 . 2]" 1
122 1 17 PHE QD 1 21 LEU MD1 3.175 . 4.550 3.152 2.398 3.893 . 0 0 "[ . 1 . 2]" 1
123 1 26 PHE QD 1 27 PRO HD3 3.240 . 4.680 4.040 3.173 4.703 0.023 15 0 "[ . 1 . 2]" 1
124 1 2 PHE QD 1 3 CYS HA 3.215 . 4.630 4.088 3.731 4.450 . 0 0 "[ . 1 . 2]" 1
125 1 4 TRP HA 1 5 HIS HD2 3.200 . 4.600 4.328 2.936 4.625 0.025 19 0 "[ . 1 . 2]" 1
126 1 18 PRO HA 1 19 TRP HD1 3.650 . 5.500 4.426 3.468 5.631 0.131 18 0 "[ . 1 . 2]" 1
127 1 17 PHE QD 1 23 HIS HA 3.650 . 5.500 4.103 3.215 5.660 0.160 3 0 "[ . 1 . 2]" 1
128 1 4 TRP H 1 4 TRP HE3 3.010 . 4.220 3.073 2.152 4.340 0.120 16 0 "[ . 1 . 2]" 1
129 1 4 TRP HE3 1 5 HIS H 3.150 . 4.500 3.772 3.147 4.582 0.082 6 0 "[ . 1 . 2]" 1
130 1 19 TRP HZ3 1 20 PRO HA 3.440 . 5.080 3.929 3.664 4.146 . 0 0 "[ . 1 . 2]" 1
131 1 25 CYS QB 1 26 PHE QD 3.650 . 5.500 4.818 2.789 5.486 . 0 0 "[ . 1 . 2]" 1
132 1 14 CYS HA 1 26 PHE QE 3.650 . 5.500 4.883 4.107 5.538 0.038 16 0 "[ . 1 . 2]" 1
133 1 14 CYS HA 1 26 PHE QD 3.485 . 5.170 3.707 2.845 4.916 . 0 0 "[ . 1 . 2]" 1
134 1 2 PHE HZ 1 13 THR HB 3.650 . 5.500 4.856 3.241 5.520 0.020 7 0 "[ . 1 . 2]" 1
135 1 2 PHE HZ 1 13 THR MG 3.650 . 5.500 3.465 2.282 4.488 . 0 0 "[ . 1 . 2]" 1
136 1 2 PHE QD 1 9 VAL MG2 2.985 . 4.170 3.269 2.626 4.233 0.063 10 0 "[ . 1 . 2]" 1
137 1 2 PHE QE 1 9 VAL MG2 3.175 . 4.550 2.645 1.992 3.267 . 0 0 "[ . 1 . 2]" 1
138 1 25 CYS HA 1 26 PHE QE 3.650 . 5.500 5.008 4.589 5.575 0.075 11 0 "[ . 1 . 2]" 1
139 1 25 CYS HA 1 26 PHE QD 3.540 . 5.280 3.766 3.132 4.096 . 0 0 "[ . 1 . 2]" 1
140 1 17 PHE QD 1 25 CYS H 3.650 . 5.500 3.935 3.006 5.624 0.124 8 0 "[ . 1 . 2]" 1
141 1 17 PHE QE 1 18 PRO HD2 3.650 . 5.500 5.001 3.911 5.540 0.040 10 0 "[ . 1 . 2]" 1
142 1 17 PHE HB2 1 21 LEU HB3 3.090 . 4.380 2.675 2.164 4.140 . 0 0 "[ . 1 . 2]" 1
143 1 17 PHE HB2 1 21 LEU MD1 3.325 . 4.850 3.042 1.834 3.519 . 0 0 "[ . 1 . 2]" 1
144 1 17 PHE HB2 1 21 LEU MD2 3.325 . 4.850 3.995 1.911 4.700 . 0 0 "[ . 1 . 2]" 1
145 1 17 PHE HB2 1 18 PRO HD2 2.870 . 3.940 3.749 3.587 3.947 0.007 16 0 "[ . 1 . 2]" 1
146 1 17 PHE HB3 1 18 PRO HD2 2.870 . 3.940 2.219 2.010 2.513 . 0 0 "[ . 1 . 2]" 1
147 1 14 CYS HB3 1 25 CYS HA 3.340 . 4.880 3.896 3.089 4.871 . 0 0 "[ . 1 . 2]" 1
148 1 14 CYS HA 1 25 CYS QB 2.930 . 4.060 3.055 2.048 4.100 0.040 3 0 "[ . 1 . 2]" 1
149 1 14 CYS HA 1 26 PHE H 2.900 . 4.000 2.871 2.201 3.709 . 0 0 "[ . 1 . 2]" 1
150 1 2 PHE H 1 9 VAL H 3.650 . 5.500 3.842 2.971 5.060 . 0 0 "[ . 1 . 2]" 1
151 1 2 PHE H 1 3 CYS H 3.245 . 4.690 4.374 4.060 4.641 . 0 0 "[ . 1 . 2]" 1
152 1 5 HIS H 1 6 HIS H 3.220 . 4.640 2.916 1.934 4.427 . 0 0 "[ . 1 . 2]" 1
153 1 4 TRP H 1 4 TRP HD1 3.650 . 5.500 4.747 4.238 5.266 . 0 0 "[ . 1 . 2]" 1
154 1 4 TRP HD1 1 5 HIS H 3.650 . 5.500 5.114 3.456 5.474 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL MG2 1 13 THR HB 3.650 . 5.500 5.047 4.213 5.501 0.001 9 0 "[ . 1 . 2]" 1
156 1 9 VAL MG1 1 13 THR HB 3.650 . 5.500 3.292 1.964 4.250 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL MG1 1 10 PRO HD2 3.270 . 4.740 2.281 1.991 3.877 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL MG1 1 10 PRO HD3 3.270 . 4.740 3.509 3.063 4.465 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL MG1 1 13 THR MG 3.120 . 4.440 2.163 1.861 3.120 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL MG2 1 13 THR MG 3.120 . 4.440 3.576 2.091 4.287 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL HA 1 10 PRO QG 2.990 . 4.180 3.868 3.809 3.950 . 0 0 "[ . 1 . 2]" 1
162 1 11 SER H 1 12 GLY H 3.330 . 4.860 4.482 4.374 4.580 . 0 0 "[ . 1 . 2]" 1
163 1 15 ALA H 1 24 GLN H 3.320 . 4.840 4.530 3.452 4.936 0.096 8 0 "[ . 1 . 2]" 1
164 1 15 ALA MB 1 17 PHE H 3.575 . 5.350 4.656 4.233 5.101 . 0 0 "[ . 1 . 2]" 1
165 1 17 PHE H 1 21 LEU HB3 3.650 . 5.500 4.697 4.149 5.155 . 0 0 "[ . 1 . 2]" 1
166 1 17 PHE H 1 24 GLN H 3.450 . 5.100 3.882 3.301 5.243 0.143 3 0 "[ . 1 . 2]" 1
167 1 19 TRP HZ2 1 20 PRO HA 3.650 . 5.500 5.581 5.511 5.674 0.174 7 0 "[ . 1 . 2]" 1
168 1 20 PRO HD2 1 21 LEU H 3.650 . 5.500 2.799 2.248 3.139 . 0 0 "[ . 1 . 2]" 1
169 1 21 LEU H 1 21 LEU HG 3.480 . 5.160 2.813 2.228 5.244 0.084 8 0 "[ . 1 . 2]" 1
170 1 17 PHE QD 1 24 GLN H 3.390 . 4.980 2.632 1.907 4.095 . 0 0 "[ . 1 . 2]" 1
171 1 21 LEU MD1 1 24 GLN HG2 3.865 . 5.930 4.133 3.641 5.689 . 0 0 "[ . 1 . 2]" 1
172 1 21 LEU MD1 1 24 GLN HG3 3.865 . 5.930 3.671 3.138 5.573 . 0 0 "[ . 1 . 2]" 1
173 1 20 PRO QG 1 21 LEU MD1 3.645 . 5.490 5.365 5.006 5.515 0.025 20 0 "[ . 1 . 2]" 1
174 1 20 PRO QG 1 21 LEU MD2 3.645 . 5.490 4.270 3.705 5.064 . 0 0 "[ . 1 . 2]" 1
175 1 21 LEU MD2 1 24 GLN HG3 3.865 . 5.930 3.140 2.249 5.475 . 0 0 "[ . 1 . 2]" 1
176 1 17 PHE HB3 1 21 LEU MD1 3.325 . 4.850 2.439 2.155 4.520 . 0 0 "[ . 1 . 2]" 1
177 1 17 PHE HB3 1 21 LEU MD2 3.325 . 4.850 4.105 2.808 4.641 . 0 0 "[ . 1 . 2]" 1
178 1 14 CYS HB2 1 25 CYS HA 3.340 . 4.880 3.926 2.061 4.897 0.017 10 0 "[ . 1 . 2]" 1
179 1 13 THR MG 1 14 CYS HA 3.650 . 5.500 4.393 3.565 5.465 . 0 0 "[ . 1 . 2]" 1
180 1 14 CYS HA 1 15 ALA MB 3.255 . 4.710 3.899 3.744 4.077 . 0 0 "[ . 1 . 2]" 1
181 1 17 PHE HB3 1 21 LEU HB3 3.090 . 4.380 3.165 2.612 4.515 0.135 9 0 "[ . 1 . 2]" 1
182 1 17 PHE QE 1 18 PRO HD3 3.650 . 5.500 5.471 5.102 5.552 0.052 18 0 "[ . 1 . 2]" 1
183 1 7 SER HB3 1 8 CYS H 3.005 . 4.210 3.569 2.996 4.273 0.063 20 0 "[ . 1 . 2]" 1
184 1 11 SER QB 1 12 GLY H 3.230 . 4.660 3.339 2.920 3.836 . 0 0 "[ . 1 . 2]" 1
185 1 5 HIS H 1 5 HIS HD2 3.000 . 4.200 3.242 2.333 4.223 0.023 19 0 "[ . 1 . 2]" 1
186 1 28 ASP H 1 28 ASP HB2 2.905 . 4.010 3.234 2.561 3.932 . 0 0 "[ . 1 . 2]" 1
187 1 19 TRP HE3 1 20 PRO HA 2.715 . 3.630 2.148 1.865 2.406 . 0 0 "[ . 1 . 2]" 1
188 1 19 TRP HE3 1 20 PRO QG 3.440 . 5.080 4.573 3.914 5.117 0.037 17 0 "[ . 1 . 2]" 1
189 1 1 GLY QA 1 9 VAL QG 3.540 . 5.280 3.524 2.153 4.964 . 0 0 "[ . 1 . 2]" 1
190 1 1 GLY QA 1 28 ASP HA 3.235 . 4.670 4.029 3.825 4.327 . 0 0 "[ . 1 . 2]" 1
191 1 1 GLY QA 1 28 ASP QB 2.980 . 4.160 3.950 3.786 4.285 0.125 6 0 "[ . 1 . 2]" 1
192 1 2 PHE H 1 2 PHE QB 2.745 . 3.690 2.988 2.558 3.394 . 0 0 "[ . 1 . 2]" 1
193 1 2 PHE H 1 9 VAL QG 3.270 . 4.740 3.480 2.227 4.176 . 0 0 "[ . 1 . 2]" 1
194 1 2 PHE QB 1 3 CYS H 2.770 . 3.740 2.814 2.301 3.104 . 0 0 "[ . 1 . 2]" 1
195 1 2 PHE QB 1 9 VAL QG 3.160 . 4.520 4.170 3.590 4.417 . 0 0 "[ . 1 . 2]" 1
196 1 2 PHE QD 1 9 VAL QG 2.475 . 3.150 3.066 2.601 3.245 0.095 14 0 "[ . 1 . 2]" 1
197 1 2 PHE QE 1 9 VAL QG 2.865 . 3.930 2.473 1.977 2.809 . 0 0 "[ . 1 . 2]" 1
198 1 2 PHE HZ 1 9 VAL QG 3.075 . 4.350 2.788 2.452 3.370 . 0 0 "[ . 1 . 2]" 1
199 1 3 CYS HA 1 9 VAL QG 3.075 . 4.350 3.670 2.918 4.371 0.021 3 0 "[ . 1 . 2]" 1
200 1 3 CYS QB 1 4 TRP H 2.855 . 3.910 3.310 2.735 3.907 . 0 0 "[ . 1 . 2]" 1
201 1 3 CYS QB 1 8 CYS HA 3.325 . 4.850 2.745 2.124 3.706 . 0 0 "[ . 1 . 2]" 1
202 1 3 CYS QB 1 9 VAL H 3.545 . 5.290 3.899 2.528 5.118 . 0 0 "[ . 1 . 2]" 1
203 1 4 TRP QB 1 4 TRP HD1 2.480 . 3.160 2.748 2.585 2.986 . 0 0 "[ . 1 . 2]" 1
204 1 4 TRP QB 1 5 HIS H 2.925 . 4.050 1.955 1.767 3.067 0.033 3 0 "[ . 1 . 2]" 1
205 1 4 TRP QB 1 5 HIS HD2 3.360 . 4.920 2.986 2.241 4.600 . 0 0 "[ . 1 . 2]" 1
206 1 5 HIS QB 1 6 HIS H 2.905 . 4.010 2.506 1.787 3.775 0.013 20 0 "[ . 1 . 2]" 1
207 1 7 SER H 1 7 SER QB 2.575 . 3.350 2.495 2.314 2.876 . 0 0 "[ . 1 . 2]" 1
208 1 7 SER QB 1 8 CYS H 2.735 . 3.670 3.334 2.905 3.657 . 0 0 "[ . 1 . 2]" 1
209 1 7 SER QB 1 9 VAL H 3.570 . 5.340 5.085 4.332 5.370 0.030 3 0 "[ . 1 . 2]" 1
210 1 8 CYS HA 1 9 VAL QG 3.620 . 5.440 3.442 3.245 3.970 . 0 0 "[ . 1 . 2]" 1
211 1 9 VAL H 1 9 VAL QG 2.725 . 3.650 2.205 1.911 2.466 . 0 0 "[ . 1 . 2]" 1
212 1 9 VAL QG 1 10 PRO QD 2.455 . 3.110 2.145 1.968 2.624 . 0 0 "[ . 1 . 2]" 1
213 1 9 VAL QG 1 13 THR HA 3.085 . 4.370 3.841 2.991 4.430 0.060 12 0 "[ . 1 . 2]" 1
214 1 9 VAL QG 1 13 THR HB 3.105 . 4.410 3.220 1.961 3.909 . 0 0 "[ . 1 . 2]" 1
215 1 9 VAL QG 1 13 THR MG 2.510 . 3.220 2.100 1.855 3.049 . 0 0 "[ . 1 . 2]" 1
216 1 14 CYS QB 1 15 ALA H 2.810 . 3.820 3.296 2.530 3.846 0.026 15 0 "[ . 1 . 2]" 1
217 1 14 CYS QB 1 25 CYS HA 2.910 . 4.020 3.357 2.049 4.021 0.001 15 0 "[ . 1 . 2]" 1
218 1 14 CYS QB 1 26 PHE H 3.500 . 5.200 4.424 3.562 5.289 0.089 1 0 "[ . 1 . 2]" 1
219 1 16 ASP H 1 16 ASP QB 2.545 . 3.290 2.483 2.214 2.792 . 0 0 "[ . 1 . 2]" 1
220 1 17 PHE QB 1 18 PRO HD2 2.595 . 3.390 2.202 2.000 2.479 . 0 0 "[ . 1 . 2]" 1
221 1 17 PHE QB 1 18 PRO HD3 2.985 . 4.170 3.325 2.944 3.921 . 0 0 "[ . 1 . 2]" 1
222 1 17 PHE QB 1 21 LEU HB3 2.705 . 3.610 2.507 2.131 3.806 0.196 8 0 "[ . 1 . 2]" 1
223 1 17 PHE QB 1 21 LEU QD 2.665 . 3.530 2.150 1.760 2.308 0.040 3 0 "[ . 1 . 2]" 1
224 1 17 PHE QD 1 21 LEU QD 2.725 . 3.650 3.020 2.387 3.434 . 0 0 "[ . 1 . 2]" 1
225 1 17 PHE QD 1 24 GLN QB 2.780 . 3.760 2.473 2.028 3.216 . 0 0 "[ . 1 . 2]" 1
226 1 17 PHE QE 1 21 LEU QD 3.270 . 4.740 4.162 3.586 4.562 . 0 0 "[ . 1 . 2]" 1
227 1 17 PHE QE 1 24 GLN QB 2.650 . 3.500 2.609 2.213 3.027 . 0 0 "[ . 1 . 2]" 1
228 1 17 PHE QE 1 24 GLN QG 3.140 . 4.480 3.468 1.907 4.328 . 0 0 "[ . 1 . 2]" 1
229 1 18 PRO QB 1 19 TRP H 2.850 . 3.900 2.768 2.523 3.012 . 0 0 "[ . 1 . 2]" 1
230 1 18 PRO QG 1 21 LEU QD 3.390 . 4.980 3.658 2.247 5.061 0.081 9 0 "[ . 1 . 2]" 1
231 1 19 TRP QB 1 19 TRP HD1 2.395 . 2.990 2.661 2.508 2.802 . 0 0 "[ . 1 . 2]" 1
232 1 19 TRP QB 1 19 TRP HE3 2.575 . 3.350 2.446 2.349 2.547 . 0 0 "[ . 1 . 2]" 1
233 1 19 TRP QB 1 19 TRP HZ3 3.410 . 5.020 4.702 4.621 4.784 . 0 0 "[ . 1 . 2]" 1
234 1 19 TRP HE3 1 20 PRO QB 2.840 . 3.880 2.667 2.143 3.246 . 0 0 "[ . 1 . 2]" 1
235 1 19 TRP HZ3 1 20 PRO QB 3.565 . 5.330 3.455 3.132 3.675 . 0 0 "[ . 1 . 2]" 1
236 1 20 PRO QG 1 21 LEU QD 3.110 . 4.420 4.088 3.622 4.503 0.083 9 0 "[ . 1 . 2]" 1
237 1 20 PRO HD2 1 21 LEU QD 3.620 . 5.440 3.909 3.297 5.421 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU H 1 21 LEU QD 2.965 . 4.130 3.256 3.053 4.087 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU HA 1 21 LEU QD 2.340 . 2.880 2.104 1.860 2.880 . 9 0 "[ . 1 . 2]" 1
240 1 21 LEU HB2 1 21 LEU QD 2.250 . 2.700 2.286 2.209 2.491 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU QD 1 22 GLY H 3.620 . 5.440 3.661 2.998 3.830 . 0 0 "[ . 1 . 2]" 1
242 1 21 LEU QD 1 24 GLN QB 3.250 . 4.700 3.686 2.230 4.397 . 0 0 "[ . 1 . 2]" 1
243 1 21 LEU QD 1 24 GLN QG 2.765 . 3.730 2.703 2.158 3.771 0.041 9 0 "[ . 1 . 2]" 1
244 1 21 LEU MD2 1 24 GLN HG2 3.865 . 5.930 3.708 3.152 5.592 . 0 0 "[ . 1 . 2]" 1
245 1 22 GLY QA 1 23 HIS H 2.445 . 3.090 2.148 2.049 2.455 . 0 0 "[ . 1 . 2]" 1
246 1 24 GLN H 1 24 GLN QG 3.570 . 5.340 2.728 2.344 4.093 . 0 0 "[ . 1 . 2]" 1
247 1 24 GLN QB 1 25 CYS H 2.980 . 4.160 2.671 2.167 3.472 . 0 0 "[ . 1 . 2]" 1
248 1 26 PHE H 1 26 PHE QB 2.710 . 3.620 2.636 2.277 3.227 . 0 0 "[ . 1 . 2]" 1
249 1 26 PHE QD 1 27 PRO QB 3.570 . 5.340 5.241 4.598 5.442 0.102 13 0 "[ . 1 . 2]" 1
250 1 26 PHE QD 1 27 PRO QD 2.860 . 3.920 3.127 2.424 3.516 . 0 0 "[ . 1 . 2]" 1
251 1 26 PHE QE 1 27 PRO QD 3.575 . 5.350 5.039 4.521 5.398 0.048 10 0 "[ . 1 . 2]" 1
252 1 27 PRO QB 1 28 ASP H 2.720 . 3.640 2.804 1.913 3.730 0.090 9 0 "[ . 1 . 2]" 1
253 1 27 PRO QD 1 28 ASP H 3.380 . 4.960 3.278 2.344 4.624 . 0 0 "[ . 1 . 2]" 1
254 1 28 ASP H 1 28 ASP QB 2.610 . 3.420 2.711 2.388 3.282 . 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 12
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 23.263
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0352
_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 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.125 0.062 12 0 "[ . 1 . 2]"
1 18 PRO 0.526 0.127 9 0 "[ . 1 . 2]"
1 21 LEU 0.420 0.127 9 0 "[ . 1 . 2]"
1 22 GLY 0.618 0.136 8 0 "[ . 1 . 2]"
1 24 GLN 0.511 0.136 8 0 "[ . 1 . 2]"
1 26 PHE 0.125 0.062 12 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 4 TRP H 1 7 SER O 0.000 . 2.300 2.002 1.773 2.167 . 0 0 "[ . 1 . 2]" 2
2 1 4 TRP N 1 7 SER O 0.000 . 3.300 2.942 2.691 3.080 . 0 0 "[ . 1 . 2]" 2
3 1 2 PHE O 1 9 VAL H 0.000 . 2.300 1.857 1.744 2.082 . 0 0 "[ . 1 . 2]" 2
4 1 2 PHE O 1 9 VAL N 0.000 . 3.300 2.805 2.688 2.968 . 0 0 "[ . 1 . 2]" 2
5 1 18 PRO O 1 21 LEU H 0.000 . 2.300 2.244 2.005 2.427 0.127 9 0 "[ . 1 . 2]" 2
6 1 18 PRO O 1 21 LEU N 0.000 . 3.300 2.904 2.693 3.048 . 0 0 "[ . 1 . 2]" 2
7 1 18 PRO O 1 22 GLY H 0.000 . 2.300 2.116 1.917 2.334 0.034 12 0 "[ . 1 . 2]" 2
8 1 18 PRO O 1 22 GLY N 0.000 . 3.300 3.046 2.742 3.278 . 0 0 "[ . 1 . 2]" 2
9 1 22 GLY O 1 24 GLN H 0.000 . 2.300 2.309 2.208 2.436 0.136 8 0 "[ . 1 . 2]" 2
10 1 22 GLY O 1 24 GLN N 0.000 . 3.300 2.975 2.723 3.105 . 0 0 "[ . 1 . 2]" 2
11 1 13 THR O 1 26 PHE H 0.000 . 2.300 1.975 1.722 2.362 0.062 12 0 "[ . 1 . 2]" 2
12 1 13 THR O 1 26 PHE N 0.000 . 3.300 2.890 2.682 3.280 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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