NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384512 |
1klr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1klr
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 174
_Distance_constraint_stats_list.Viol_count 451
_Distance_constraint_stats_list.Viol_total 418.084
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0371
_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 2 THR 0.849 0.117 1 0 "[ . 1 . 2 .]"
1 3 TYR 2.716 0.117 1 0 "[ . 1 . 2 .]"
1 4 GLN 0.494 0.073 7 0 "[ . 1 . 2 .]"
1 5 CYS 0.703 0.073 7 0 "[ . 1 . 2 .]"
1 6 GLN 0.071 0.037 11 0 "[ . 1 . 2 .]"
1 7 TYR 0.592 0.068 11 0 "[ . 1 . 2 .]"
1 8 CYS 1.017 0.068 10 0 "[ . 1 . 2 .]"
1 9 GLU 0.920 0.068 6 0 "[ . 1 . 2 .]"
1 10 PHE 0.769 0.071 11 0 "[ . 1 . 2 .]"
1 11 ARG 0.980 0.071 11 0 "[ . 1 . 2 .]"
1 12 SER 0.775 0.058 14 0 "[ . 1 . 2 .]"
1 13 ALA 0.037 0.025 24 0 "[ . 1 . 2 .]"
1 14 ASP 0.918 0.137 17 0 "[ . 1 . 2 .]"
1 15 SER 1.287 0.074 13 0 "[ . 1 . 2 .]"
1 16 SER 0.123 0.117 7 0 "[ . 1 . 2 .]"
1 17 ASN 1.284 0.137 17 0 "[ . 1 . 2 .]"
1 18 LEU 2.481 0.093 12 0 "[ . 1 . 2 .]"
1 19 LYS 1.807 0.110 3 0 "[ . 1 . 2 .]"
1 20 THR 1.786 0.097 10 0 "[ . 1 . 2 .]"
1 21 HIS 1.361 0.097 10 0 "[ . 1 . 2 .]"
1 22 ILE 2.965 0.110 3 0 "[ . 1 . 2 .]"
1 23 LYS 1.980 0.111 22 0 "[ . 1 . 2 .]"
1 24 THR 1.068 0.112 22 0 "[ . 1 . 2 .]"
1 25 LYS 1.231 0.112 22 0 "[ . 1 . 2 .]"
1 26 HIS 2.779 0.082 9 0 "[ . 1 . 2 .]"
1 27 SER 1.050 0.114 20 0 "[ . 1 . 2 .]"
1 28 LYS 0.902 0.114 20 0 "[ . 1 . 2 .]"
1 29 GLU 0.434 0.109 17 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 2 THR HA 1 3 TYR H 2.700 . 2.700 2.366 2.061 2.670 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 THR HB 1 3 TYR H 3.400 . 3.400 2.948 2.088 3.517 0.117 1 0 "[ . 1 . 2 .]" 1
3 1 2 THR HA 1 13 ALA HA 3.400 . 3.400 2.573 2.059 3.210 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 TYR H 1 12 SER H 4.300 . 4.300 3.345 2.709 3.939 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 TYR H 1 13 ALA HA 4.300 . 4.300 2.904 1.795 3.465 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 TYR H 1 18 LEU CD2 5.400 . 5.400 5.377 5.023 5.456 0.056 6 0 "[ . 1 . 2 .]" 1
7 1 3 TYR HA 1 18 LEU CD2 5.400 . 5.400 4.866 4.369 5.425 0.025 12 0 "[ . 1 . 2 .]" 1
8 1 3 TYR HA 1 4 GLN H 2.700 . 2.700 2.248 2.113 2.527 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 TYR HB3 1 4 GLN H 4.300 . 4.300 3.040 2.487 3.548 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 TYR HB2 1 12 SER H 4.300 . 4.300 3.677 3.384 3.902 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 TYR HB3 1 12 SER H 5.000 . 5.000 5.001 4.709 5.058 0.058 14 0 "[ . 1 . 2 .]" 1
12 1 3 TYR HB2 1 18 LEU CD2 5.400 . 5.400 2.951 2.616 3.269 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 TYR HB3 1 18 LEU CD2 5.400 . 5.400 2.802 2.441 3.308 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 TYR HD2 1 13 ALA HA 4.300 . 4.300 3.087 2.497 3.741 . 0 0 "[ . 1 . 2 .]" 1
15 1 3 TYR HD2 1 15 SER HA 4.300 . 4.300 3.567 2.841 4.374 0.074 13 0 "[ . 1 . 2 .]" 1
16 1 3 TYR HD2 1 18 LEU CD2 5.400 . 5.400 4.533 3.212 5.197 . 0 0 "[ . 1 . 2 .]" 1
17 1 3 TYR HE2 1 13 ALA HA 4.300 . 4.300 3.856 2.919 4.325 0.025 24 0 "[ . 1 . 2 .]" 1
18 1 3 TYR HE2 1 15 SER HB2 4.300 . 4.300 3.222 2.583 4.322 0.022 5 0 "[ . 1 . 2 .]" 1
19 1 3 TYR HE2 1 15 SER HB3 4.300 . 4.300 4.222 2.600 4.351 0.051 24 0 "[ . 1 . 2 .]" 1
20 1 4 GLN HA 1 5 CYS H 2.700 . 2.700 2.230 2.014 2.481 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 GLN HA 1 12 SER H 4.300 . 4.300 3.476 3.064 4.022 . 0 0 "[ . 1 . 2 .]" 1
22 1 4 GLN HA 1 11 ARG HA 3.400 . 3.400 2.244 1.969 2.538 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 GLN HA 1 11 ARG HB2 4.300 . 4.300 3.763 3.058 4.325 0.025 20 0 "[ . 1 . 2 .]" 1
24 1 4 GLN HA 1 11 ARG HB3 4.300 . 4.300 3.508 2.486 4.361 0.061 5 0 "[ . 1 . 2 .]" 1
25 1 4 GLN HG2 1 5 CYS H 4.300 . 4.300 3.612 1.629 4.359 0.059 4 0 "[ . 1 . 2 .]" 1
26 1 4 GLN HG3 1 5 CYS H 4.300 . 4.300 3.430 2.250 4.325 0.025 12 0 "[ . 1 . 2 .]" 1
27 1 4 GLN HE21 1 5 CYS H 4.300 . 4.300 2.618 1.849 4.345 0.045 15 0 "[ . 1 . 2 .]" 1
28 1 4 GLN HE22 1 5 CYS H 4.300 . 4.300 3.030 2.362 4.373 0.073 7 0 "[ . 1 . 2 .]" 1
29 1 4 GLN HE21 1 9 GLU HA 5.100 . 5.100 3.503 2.485 5.138 0.038 17 0 "[ . 1 . 2 .]" 1
30 1 4 GLN HE22 1 9 GLU HA 5.100 . 5.100 2.733 1.957 4.651 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 CYS H 1 10 PHE QD 4.300 . 4.300 3.931 3.299 4.306 0.006 11 0 "[ . 1 . 2 .]" 1
32 1 5 CYS H 1 11 ARG HA 3.400 . 3.400 3.370 3.139 3.456 0.056 7 0 "[ . 1 . 2 .]" 1
33 1 5 CYS H 1 18 LEU CD1 5.400 . 5.400 4.545 3.743 5.435 0.035 12 0 "[ . 1 . 2 .]" 1
34 1 5 CYS HA 1 18 LEU CD1 5.400 . 5.400 3.614 3.005 4.793 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 CYS QB 1 7 TYR H 4.300 . 4.300 3.269 2.806 3.695 . 0 0 "[ . 1 . 2 .]" 1
36 1 5 CYS QB 1 8 CYS H . . 4.300 3.122 2.754 3.403 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 CYS QB 1 10 PHE QD 4.300 . 4.300 2.503 2.188 2.833 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 CYS QB 1 10 PHE HB3 4.300 . 4.300 2.113 1.936 2.308 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 CYS QB 1 10 PHE H 4.300 . 4.300 2.427 1.990 3.998 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 CYS QB 1 21 HIS HD2 4.300 . 4.300 3.275 2.842 3.668 . 0 0 "[ . 1 . 2 .]" 1
41 1 6 GLN H 1 7 TYR H 3.400 . 3.400 2.574 1.908 3.050 . 0 0 "[ . 1 . 2 .]" 1
42 1 6 GLN HA 1 7 TYR H 3.400 . 3.400 2.936 2.655 3.437 0.037 11 0 "[ . 1 . 2 .]" 1
43 1 7 TYR H 1 7 TYR HD2 3.400 . 3.400 3.217 2.522 3.415 0.015 6 0 "[ . 1 . 2 .]" 1
44 1 7 TYR H 1 8 CYS H 2.700 . 2.700 2.113 1.900 2.528 . 0 0 "[ . 1 . 2 .]" 1
45 1 7 TYR HA 1 8 CYS H 4.300 . 4.300 3.522 3.497 3.578 . 0 0 "[ . 1 . 2 .]" 1
46 1 7 TYR HB2 1 8 CYS H 4.300 . 4.300 2.183 2.053 2.358 . 0 0 "[ . 1 . 2 .]" 1
47 1 7 TYR HB3 1 8 CYS H 4.300 . 4.300 3.367 3.188 3.565 . 0 0 "[ . 1 . 2 .]" 1
48 1 7 TYR HB2 1 26 HIS HE1 4.300 . 4.300 3.336 3.093 3.764 . 0 0 "[ . 1 . 2 .]" 1
49 1 7 TYR HB2 1 26 HIS HD2 4.300 . 4.300 3.148 3.012 3.380 . 0 0 "[ . 1 . 2 .]" 1
50 1 7 TYR HB3 1 26 HIS HE1 4.300 . 4.300 3.346 2.933 3.921 . 0 0 "[ . 1 . 2 .]" 1
51 1 7 TYR HE2 1 22 ILE HB 4.300 . 4.300 4.309 4.224 4.368 0.068 11 0 "[ . 1 . 2 .]" 1
52 1 7 TYR HE2 1 22 ILE HG12 6.000 . 6.000 2.574 2.081 3.538 . 0 0 "[ . 1 . 2 .]" 1
53 1 7 TYR HE2 1 22 ILE HG13 6.000 . 6.000 4.107 3.556 4.962 . 0 0 "[ . 1 . 2 .]" 1
54 1 7 TYR HE2 1 22 ILE CG2 4.500 . 4.500 2.810 2.492 3.267 . 0 0 "[ . 1 . 2 .]" 1
55 1 7 TYR HD2 1 22 ILE CG2 5.400 . 5.400 4.120 3.398 4.500 . 0 0 "[ . 1 . 2 .]" 1
56 1 7 TYR HD2 1 26 HIS HD2 4.300 . 4.300 2.663 2.266 3.220 . 0 0 "[ . 1 . 2 .]" 1
57 1 8 CYS HA 1 9 GLU H 3.400 . 3.400 2.748 2.617 3.094 . 0 0 "[ . 1 . 2 .]" 1
58 1 8 CYS HB2 1 9 GLU H 2.700 . 2.700 1.905 1.848 1.938 . 0 0 "[ . 1 . 2 .]" 1
59 1 8 CYS HB3 1 9 GLU H 3.400 . 3.400 3.428 3.336 3.468 0.068 10 0 "[ . 1 . 2 .]" 1
60 1 8 CYS HB2 1 10 PHE H 4.300 . 4.300 4.226 3.348 4.339 0.039 13 0 "[ . 1 . 2 .]" 1
61 1 8 CYS HB2 1 26 HIS HE1 4.300 . 4.300 3.952 3.685 4.313 0.013 4 0 "[ . 1 . 2 .]" 1
62 1 8 CYS HB3 1 26 HIS HE1 2.700 . 2.700 2.305 2.042 2.643 . 0 0 "[ . 1 . 2 .]" 1
63 1 9 GLU H 1 10 PHE H 4.300 . 4.300 3.203 2.161 3.418 . 0 0 "[ . 1 . 2 .]" 1
64 1 9 GLU HA 1 10 PHE H 3.400 . 3.400 2.559 2.330 3.468 0.068 6 0 "[ . 1 . 2 .]" 1
65 1 10 PHE HA 1 11 ARG H 2.700 . 2.700 2.121 2.040 2.229 . 0 0 "[ . 1 . 2 .]" 1
66 1 10 PHE HB2 1 11 ARG H 4.300 . 4.300 4.280 4.021 4.371 0.071 11 0 "[ . 1 . 2 .]" 1
67 1 10 PHE HB2 1 21 HIS HE1 3.400 . 3.400 3.072 2.489 3.426 0.026 11 0 "[ . 1 . 2 .]" 1
68 1 10 PHE HB3 1 21 HIS HE1 4.300 . 4.300 3.803 3.368 4.220 . 0 0 "[ . 1 . 2 .]" 1
69 1 10 PHE CG 1 11 ARG HA 6.400 . 6.400 4.737 4.431 4.972 . 0 0 "[ . 1 . 2 .]" 1
70 1 10 PHE QD 1 18 LEU CD1 3.800 . 3.800 2.770 2.491 3.185 . 0 0 "[ . 1 . 2 .]" 1
71 1 10 PHE QD 1 21 HIS HD2 4.300 . 4.300 3.542 3.063 4.266 . 0 0 "[ . 1 . 2 .]" 1
72 1 10 PHE CG 1 21 HIS HE1 6.400 . 6.400 3.838 3.531 4.324 . 0 0 "[ . 1 . 2 .]" 1
73 1 10 PHE QE 1 12 SER QB 3.400 . 3.400 2.543 2.097 3.101 . 0 0 "[ . 1 . 2 .]" 1
74 1 10 PHE QE 1 18 LEU HA 3.400 . 3.400 2.557 2.117 3.382 . 0 0 "[ . 1 . 2 .]" 1
75 1 10 PHE QE 1 18 LEU HB2 4.300 . 4.300 3.337 2.539 3.948 . 0 0 "[ . 1 . 2 .]" 1
76 1 10 PHE QE 1 18 LEU CD1 4.500 . 4.500 3.094 2.759 3.443 . 0 0 "[ . 1 . 2 .]" 1
77 1 10 PHE QE 1 21 HIS HB2 4.300 . 4.300 3.367 2.791 4.098 . 0 0 "[ . 1 . 2 .]" 1
78 1 10 PHE HZ 1 12 SER QB . . 3.400 3.138 2.872 3.339 . 0 0 "[ . 1 . 2 .]" 1
79 1 11 ARG HA 1 12 SER H 2.700 . 2.700 2.135 2.034 2.288 . 0 0 "[ . 1 . 2 .]" 1
80 1 11 ARG HB2 1 12 SER H 4.300 . 4.300 3.361 2.912 4.343 0.043 14 0 "[ . 1 . 2 .]" 1
81 1 11 ARG HB3 1 12 SER H 4.300 . 4.300 4.150 3.937 4.319 0.019 10 0 "[ . 1 . 2 .]" 1
82 1 12 SER HA 1 13 ALA H 4.300 . 4.300 2.516 2.290 3.525 . 0 0 "[ . 1 . 2 .]" 1
83 1 12 SER QB 1 14 ASP H 3.400 . 3.400 2.856 2.384 3.174 . 0 0 "[ . 1 . 2 .]" 1
84 1 12 SER H 1 18 LEU CD2 5.400 . 5.400 4.855 4.290 5.214 . 0 0 "[ . 1 . 2 .]" 1
85 1 13 ALA CB 1 14 ASP H 4.500 . 4.500 3.932 3.798 4.012 . 0 0 "[ . 1 . 2 .]" 1
86 1 14 ASP HB2 1 17 ASN H 4.300 . 4.300 4.249 3.476 4.437 0.137 17 0 "[ . 1 . 2 .]" 1
87 1 14 ASP HB3 1 17 ASN H 4.300 . 4.300 2.899 2.009 3.338 . 0 0 "[ . 1 . 2 .]" 1
88 1 15 SER HA 1 16 SER H 4.300 . 4.300 3.390 2.216 3.628 . 0 0 "[ . 1 . 2 .]" 1
89 1 15 SER HA 1 18 LEU H 3.400 . 3.400 3.327 2.093 3.467 0.067 15 0 "[ . 1 . 2 .]" 1
90 1 15 SER HA 1 18 LEU HB3 3.400 . 3.400 2.519 2.044 2.989 . 0 0 "[ . 1 . 2 .]" 1
91 1 15 SER HA 1 18 LEU HB2 4.300 . 4.300 3.410 2.474 3.878 . 0 0 "[ . 1 . 2 .]" 1
92 1 15 SER HA 1 18 LEU CD2 5.400 . 5.400 4.326 3.337 5.268 . 0 0 "[ . 1 . 2 .]" 1
93 1 15 SER HA 1 19 LYS H 4.300 . 4.300 3.825 3.000 4.196 . 0 0 "[ . 1 . 2 .]" 1
94 1 16 SER HA 1 17 ASN H 4.300 . 4.300 3.518 3.340 3.656 . 0 0 "[ . 1 . 2 .]" 1
95 1 16 SER HA 1 19 LYS H 4.300 . 4.300 3.723 2.388 4.306 0.006 5 0 "[ . 1 . 2 .]" 1
96 1 16 SER HB2 1 17 ASN H 5.100 . 5.100 3.382 2.258 5.217 0.117 7 0 "[ . 1 . 2 .]" 1
97 1 16 SER HB3 1 17 ASN H 5.100 . 5.100 3.632 2.209 4.694 . 0 0 "[ . 1 . 2 .]" 1
98 1 17 ASN H 1 18 LEU H 3.400 . 3.400 2.737 2.145 3.493 0.093 12 0 "[ . 1 . 2 .]" 1
99 1 17 ASN HA 1 18 LEU H 4.300 . 4.300 3.338 2.419 3.644 . 0 0 "[ . 1 . 2 .]" 1
100 1 17 ASN HA 1 20 THR H 4.300 . 4.300 3.446 2.618 4.093 . 0 0 "[ . 1 . 2 .]" 1
101 1 17 ASN HA 1 20 THR HB 4.300 . 4.300 2.621 1.937 3.117 . 0 0 "[ . 1 . 2 .]" 1
102 1 17 ASN HA 1 21 HIS H 4.300 . 4.300 3.903 3.431 4.316 0.016 22 0 "[ . 1 . 2 .]" 1
103 1 17 ASN HB2 1 18 LEU H 6.000 . 6.000 3.599 2.360 4.477 . 0 0 "[ . 1 . 2 .]" 1
104 1 17 ASN HB3 1 18 LEU H 6.000 . 6.000 3.530 2.355 4.670 . 0 0 "[ . 1 . 2 .]" 1
105 1 18 LEU H 1 19 LYS H 3.400 . 3.400 2.482 1.795 3.032 . 0 0 "[ . 1 . 2 .]" 1
106 1 18 LEU HA 1 19 LYS H 4.300 . 4.300 3.533 3.446 3.596 . 0 0 "[ . 1 . 2 .]" 1
107 1 18 LEU HA 1 21 HIS H 3.400 . 3.400 3.364 3.021 3.465 0.065 13 0 "[ . 1 . 2 .]" 1
108 1 18 LEU HA 1 21 HIS HB2 4.300 . 4.300 3.088 2.722 3.488 . 0 0 "[ . 1 . 2 .]" 1
109 1 18 LEU HA 1 21 HIS HB3 3.400 . 3.400 2.298 2.095 2.504 . 0 0 "[ . 1 . 2 .]" 1
110 1 18 LEU HA 1 22 ILE H 4.300 . 4.300 4.063 3.923 4.203 . 0 0 "[ . 1 . 2 .]" 1
111 1 18 LEU HB2 1 19 LYS H 4.300 . 4.300 3.878 3.715 4.163 . 0 0 "[ . 1 . 2 .]" 1
112 1 18 LEU HB3 1 19 LYS H 3.400 . 3.400 2.569 2.322 3.110 . 0 0 "[ . 1 . 2 .]" 1
113 1 18 LEU CD1 1 21 HIS HD2 3.800 . 3.800 3.762 3.528 3.845 0.045 7 0 "[ . 1 . 2 .]" 1
114 1 19 LYS H 1 20 THR H 4.300 . 4.300 2.612 2.105 2.887 . 0 0 "[ . 1 . 2 .]" 1
115 1 19 LYS HA 1 20 THR H 4.300 . 4.300 3.537 3.420 3.587 . 0 0 "[ . 1 . 2 .]" 1
116 1 19 LYS HA 1 22 ILE H 3.400 . 3.400 3.462 3.414 3.510 0.110 3 0 "[ . 1 . 2 .]" 1
117 1 19 LYS HA 1 23 LYS H 4.300 . 4.300 4.241 3.676 4.337 0.037 13 0 "[ . 1 . 2 .]" 1
118 1 19 LYS HB2 1 20 THR H 5.100 . 5.100 2.877 2.292 3.817 . 0 0 "[ . 1 . 2 .]" 1
119 1 19 LYS HB3 1 20 THR H 5.100 . 5.100 3.461 2.250 4.051 . 0 0 "[ . 1 . 2 .]" 1
120 1 20 THR H 1 21 HIS H 4.300 . 4.300 2.698 2.175 2.920 . 0 0 "[ . 1 . 2 .]" 1
121 1 20 THR HA 1 23 LYS H 3.400 . 3.400 3.428 3.160 3.472 0.072 21 0 "[ . 1 . 2 .]" 1
122 1 20 THR HA 1 23 LYS HB2 5.100 . 5.100 3.273 2.453 4.929 . 0 0 "[ . 1 . 2 .]" 1
123 1 20 THR HA 1 23 LYS HB3 5.100 . 5.100 3.473 2.310 4.679 . 0 0 "[ . 1 . 2 .]" 1
124 1 20 THR HA 1 24 THR H 4.300 . 4.300 4.160 3.664 4.389 0.089 22 0 "[ . 1 . 2 .]" 1
125 1 20 THR HB 1 21 HIS H 3.400 . 3.400 2.546 2.231 3.465 0.065 10 0 "[ . 1 . 2 .]" 1
126 1 20 THR CG2 1 21 HIS H 4.500 . 4.500 4.067 3.845 4.597 0.097 10 0 "[ . 1 . 2 .]" 1
127 1 21 HIS H 1 22 ILE H 3.400 . 3.400 2.997 2.390 3.188 . 0 0 "[ . 1 . 2 .]" 1
128 1 21 HIS HA 1 22 ILE H 4.300 . 4.300 3.596 3.565 3.637 . 0 0 "[ . 1 . 2 .]" 1
129 1 21 HIS HA 1 24 THR H 4.300 . 4.300 3.837 3.492 4.302 0.002 22 0 "[ . 1 . 2 .]" 1
130 1 21 HIS HA 1 25 LYS H 4.300 . 4.300 3.899 3.521 4.378 0.078 22 0 "[ . 1 . 2 .]" 1
131 1 21 HIS HB2 1 22 ILE H 4.300 . 4.300 3.802 3.712 3.878 . 0 0 "[ . 1 . 2 .]" 1
132 1 21 HIS HB3 1 22 ILE H 3.400 . 3.400 2.392 2.244 2.486 . 0 0 "[ . 1 . 2 .]" 1
133 1 21 HIS HD2 1 22 ILE HA 3.400 . 3.400 3.153 2.921 3.336 . 0 0 "[ . 1 . 2 .]" 1
134 1 21 HIS HD2 1 22 ILE HG12 4.300 . 4.300 2.983 2.578 3.205 . 0 0 "[ . 1 . 2 .]" 1
135 1 21 HIS HD2 1 22 ILE H 3.400 . 3.400 2.897 2.502 3.197 . 0 0 "[ . 1 . 2 .]" 1
136 1 21 HIS HD2 1 22 ILE HG13 4.300 . 4.300 2.465 2.183 2.922 . 0 0 "[ . 1 . 2 .]" 1
137 1 21 HIS HD2 1 26 HIS HD2 3.400 . 3.400 3.135 2.779 3.413 0.013 2 0 "[ . 1 . 2 .]" 1
138 1 21 HIS HE1 1 25 LYS HG2 5.100 . 5.100 4.049 2.502 5.122 0.022 18 0 "[ . 1 . 2 .]" 1
139 1 21 HIS HE1 1 25 LYS HG3 5.100 . 5.100 3.164 2.395 4.728 . 0 0 "[ . 1 . 2 .]" 1
140 1 21 HIS HE1 1 25 LYS HB2 4.300 . 4.300 3.704 3.212 4.212 . 0 0 "[ . 1 . 2 .]" 1
141 1 21 HIS HE1 1 25 LYS HB3 4.300 . 4.300 3.635 3.292 3.956 . 0 0 "[ . 1 . 2 .]" 1
142 1 22 ILE CG2 1 22 ILE H 4.500 . 4.500 4.070 4.024 4.115 . 0 0 "[ . 1 . 2 .]" 1
143 1 22 ILE H 1 23 LYS H 3.400 . 3.400 2.977 2.732 3.119 . 0 0 "[ . 1 . 2 .]" 1
144 1 22 ILE H 1 26 HIS HD2 4.300 . 4.300 4.334 4.230 4.379 0.079 20 0 "[ . 1 . 2 .]" 1
145 1 22 ILE HA 1 23 LYS H 4.300 . 4.300 3.542 3.463 3.600 . 0 0 "[ . 1 . 2 .]" 1
146 1 22 ILE HA 1 25 LYS H 4.300 . 4.300 3.873 3.423 4.303 0.003 9 0 "[ . 1 . 2 .]" 1
147 1 22 ILE HA 1 26 HIS H 3.400 . 3.400 3.178 2.666 3.427 0.027 9 0 "[ . 1 . 2 .]" 1
148 1 22 ILE HA 1 26 HIS HD2 2.700 . 2.700 2.028 1.893 2.180 . 0 0 "[ . 1 . 2 .]" 1
149 1 22 ILE HB 1 23 LYS H 3.400 . 3.400 2.577 2.350 3.087 . 0 0 "[ . 1 . 2 .]" 1
150 1 22 ILE HG12 1 26 HIS HD2 4.300 . 4.300 2.838 2.460 3.238 . 0 0 "[ . 1 . 2 .]" 1
151 1 22 ILE HG13 1 26 HIS HD2 4.300 . 4.300 3.834 3.465 4.142 . 0 0 "[ . 1 . 2 .]" 1
152 1 22 ILE CG2 1 23 LYS H 4.500 . 4.500 3.799 3.454 4.319 . 0 0 "[ . 1 . 2 .]" 1
153 1 22 ILE CG2 1 26 HIS HD2 4.500 . 4.500 4.031 3.496 4.401 . 0 0 "[ . 1 . 2 .]" 1
154 1 23 LYS H 1 24 THR H 4.300 . 4.300 2.915 2.388 4.321 0.021 10 0 "[ . 1 . 2 .]" 1
155 1 23 LYS HA 1 26 HIS H 4.300 . 4.300 4.224 3.916 4.366 0.066 19 0 "[ . 1 . 2 .]" 1
156 1 23 LYS HB2 1 24 THR H 5.100 . 5.100 3.528 2.253 5.211 0.111 22 0 "[ . 1 . 2 .]" 1
157 1 23 LYS HB3 1 24 THR H 5.100 . 5.100 3.311 1.982 4.646 . 0 0 "[ . 1 . 2 .]" 1
158 1 24 THR H 1 25 LYS H 3.400 . 3.400 2.524 1.978 3.427 0.027 22 0 "[ . 1 . 2 .]" 1
159 1 24 THR HA 1 25 LYS H 4.300 . 4.300 3.374 2.316 3.543 . 0 0 "[ . 1 . 2 .]" 1
160 1 24 THR HB 1 25 LYS H 4.300 . 4.300 3.461 2.563 4.412 0.112 22 0 "[ . 1 . 2 .]" 1
161 1 25 LYS H 1 26 HIS H 3.400 . 3.400 2.295 1.951 2.516 . 0 0 "[ . 1 . 2 .]" 1
162 1 25 LYS HA 1 25 LYS HD2 5.100 . 5.100 3.023 2.066 4.538 . 0 0 "[ . 1 . 2 .]" 1
163 1 25 LYS HA 1 25 LYS HD3 5.100 . 5.100 3.020 2.023 4.345 . 0 0 "[ . 1 . 2 .]" 1
164 1 25 LYS HA 1 26 HIS H 4.300 . 4.300 3.519 3.470 3.580 . 0 0 "[ . 1 . 2 .]" 1
165 1 25 LYS HB2 1 26 HIS H 4.300 . 4.300 2.868 2.508 3.470 . 0 0 "[ . 1 . 2 .]" 1
166 1 25 LYS HB3 1 26 HIS H 4.300 . 4.300 3.704 3.444 3.996 . 0 0 "[ . 1 . 2 .]" 1
167 1 25 LYS HB2 1 26 HIS HD2 4.300 . 4.300 3.459 3.105 4.091 . 0 0 "[ . 1 . 2 .]" 1
168 1 25 LYS HB3 1 26 HIS HD2 4.300 . 4.300 4.293 3.965 4.359 0.059 18 0 "[ . 1 . 2 .]" 1
169 1 25 LYS HB3 1 26 HIS HE1 4.300 . 4.300 3.864 3.136 4.313 0.013 10 0 "[ . 1 . 2 .]" 1
170 1 26 HIS H 1 26 HIS HD2 4.300 . 4.300 3.621 3.428 3.965 . 0 0 "[ . 1 . 2 .]" 1
171 1 26 HIS H 1 27 SER H 3.400 . 3.400 2.783 1.999 3.431 0.031 16 0 "[ . 1 . 2 .]" 1
172 1 26 HIS HA 1 27 SER H 3.400 . 3.400 2.933 2.255 3.482 0.082 9 0 "[ . 1 . 2 .]" 1
173 1 27 SER HA 1 28 LYS H 3.400 . 3.400 2.743 2.113 3.514 0.114 20 0 "[ . 1 . 2 .]" 1
174 1 28 LYS HA 1 29 GLU H 3.400 . 3.400 2.836 2.177 3.509 0.109 17 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 6
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.757
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0050
_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 5 CYS 0.016 0.008 3 0 "[ . 1 . 2 .]"
1 7 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 CYS 0.030 0.008 3 0 "[ . 1 . 2 .]"
1 10 PHE 0.014 0.007 20 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 5 CYS SG 1 7 TYR H 3.400 2.200 3.400 2.687 2.388 3.001 . 0 0 "[ . 1 . 2 .]" 2
2 1 5 CYS SG 1 7 TYR N 3.700 2.500 3.700 3.447 3.201 3.691 . 0 0 "[ . 1 . 2 .]" 2
3 1 5 CYS SG 1 8 CYS H 3.400 2.200 3.400 2.563 2.383 2.748 . 0 0 "[ . 1 . 2 .]" 2
4 1 5 CYS SG 1 8 CYS N 3.700 2.500 3.700 3.537 3.353 3.708 0.008 3 0 "[ . 1 . 2 .]" 2
5 1 8 CYS SG 1 10 PHE H 3.400 2.200 3.400 3.202 2.581 3.407 0.007 20 0 "[ . 1 . 2 .]" 2
6 1 8 CYS SG 1 10 PHE N 3.700 2.500 3.700 3.562 3.302 3.707 0.007 3 0 "[ . 1 . 2 .]" 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 10
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 1.418
_Distance_constraint_stats_list.Viol_max 0.046
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_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 5 CYS 0.057 0.046 4 0 "[ . 1 . 2 .]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 HIS 0.057 0.046 4 0 "[ . 1 . 2 .]"
2 1 ZN 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 5 CYS SG 2 1 ZN ZN 2.400 2.200 2.400 2.302 2.294 2.308 . 0 0 "[ . 1 . 2 .]" 3
2 1 8 CYS SG 2 1 ZN ZN 2.400 2.200 2.400 2.298 2.291 2.302 . 0 0 "[ . 1 . 2 .]" 3
3 1 21 HIS NE2 2 1 ZN ZN 2.100 . 2.100 1.993 1.984 2.004 . 0 0 "[ . 1 . 2 .]" 3
4 1 26 HIS NE2 2 1 ZN ZN 2.100 . 2.100 1.995 1.988 2.000 . 0 0 "[ . 1 . 2 .]" 3
5 1 5 CYS SG 1 8 CYS SG 3.900 3.600 3.900 3.793 3.769 3.833 . 0 0 "[ . 1 . 2 .]" 3
6 1 5 CYS SG 1 21 HIS NE2 3.600 3.400 3.600 3.523 3.489 3.552 . 0 0 "[ . 1 . 2 .]" 3
7 1 5 CYS SG 1 26 HIS NE2 3.600 3.400 3.600 3.439 3.354 3.514 0.046 4 0 "[ . 1 . 2 .]" 3
8 1 8 CYS SG 1 21 HIS NE2 3.700 3.300 3.700 3.524 3.411 3.612 . 0 0 "[ . 1 . 2 .]" 3
9 1 8 CYS SG 1 26 HIS NE2 3.800 3.400 3.800 3.556 3.478 3.620 . 0 0 "[ . 1 . 2 .]" 3
10 1 21 HIS NE2 1 26 HIS NE2 3.300 3.000 3.300 3.214 3.153 3.262 . 0 0 "[ . 1 . 2 .]" 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 18
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 33.009
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_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 3 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 CYS 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 PHE 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 LYS 1.317 0.102 2 0 "[ . 1 . 2 .]"
1 20 THR 0.003 0.003 9 0 "[ . 1 . 2 .]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LYS 1.317 0.102 2 0 "[ . 1 . 2 .]"
1 24 THR 0.003 0.003 9 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 18 LEU O 1 22 ILE H 15.000 . 15.000 2.039 1.922 2.452 . 0 0 "[ . 1 . 2 .]" 4
2 1 18 LEU O 1 22 ILE N 15.000 2.200 15.000 3.011 2.892 3.420 . 0 0 "[ . 1 . 2 .]" 4
3 1 19 LYS O 1 23 LYS H 15.000 2.200 15.000 2.147 2.098 2.186 0.102 2 0 "[ . 1 . 2 .]" 4
4 1 20 THR O 1 24 THR H 15.000 . 15.000 2.162 1.897 3.227 0.003 9 0 "[ . 1 . 2 .]" 4
5 1 20 THR O 1 24 THR N 15.000 2.200 15.000 2.988 2.669 3.741 . 0 0 "[ . 1 . 2 .]" 4
6 1 21 HIS O 1 24 THR H 15.000 . 15.000 2.645 2.054 3.674 . 0 0 "[ . 1 . 2 .]" 4
7 1 21 HIS O 1 24 THR N 15.000 2.200 15.000 3.177 2.898 3.422 . 0 0 "[ . 1 . 2 .]" 4
8 1 5 CYS H 1 10 PHE O 15.000 . 15.000 2.088 1.899 2.542 0.001 5 0 "[ . 1 . 2 .]" 4
9 1 5 CYS N 1 10 PHE O 15.000 2.200 15.000 2.897 2.799 3.084 . 0 0 "[ . 1 . 2 .]" 4
10 1 3 TYR O 1 12 SER H 15.000 . 15.000 2.127 1.920 2.765 . 0 0 "[ . 1 . 2 .]" 4
11 1 3 TYR O 1 12 SER N 15.000 2.200 15.000 3.021 2.889 3.350 . 0 0 "[ . 1 . 2 .]" 4
12 1 4 GLN HE22 1 5 CYS O 15.000 . 15.000 4.053 1.983 7.146 . 0 0 "[ . 1 . 2 .]" 4
13 1 4 GLN NE2 1 5 CYS O 15.000 2.200 15.000 3.750 2.556 6.332 . 0 0 "[ . 1 . 2 .]" 4
14 1 4 GLN HE21 1 9 GLU O 15.000 . 15.000 5.041 3.406 7.027 . 0 0 "[ . 1 . 2 .]" 4
15 1 14 ASP OD1 1 17 ASN H 15.000 . 15.000 3.150 1.952 4.981 . 0 0 "[ . 1 . 2 .]" 4
16 1 14 ASP OD1 1 17 ASN N 15.000 2.200 15.000 3.983 2.893 5.178 . 0 0 "[ . 1 . 2 .]" 4
17 1 14 ASP OD2 1 17 ASN H 15.000 . 15.000 3.097 1.945 4.135 . 0 0 "[ . 1 . 2 .]" 4
18 1 14 ASP OD2 1 17 ASN N 15.000 2.200 15.000 3.923 2.844 5.082 . 0 0 "[ . 1 . 2 .]" 4
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 7:44:51 PM GMT (wattos1)