NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374830 |
1epj   |
1729 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1epj
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 242
_Distance_constraint_stats_list.Viol_count 104
_Distance_constraint_stats_list.Viol_total 91.817
_Distance_constraint_stats_list.Viol_max 0.770
_Distance_constraint_stats_list.Viol_rms 0.0731
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.1766
_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 SER 0.051 0.026 3 0 "[ .]"
1 3 TYR 0.000 0.000 . 0 "[ .]"
1 4 PRO 0.000 0.000 . 0 "[ .]"
1 5 GLY 0.000 0.000 . 0 "[ .]"
1 6 CYS 0.000 0.000 . 0 "[ .]"
1 7 PRO 1.330 0.296 3 0 "[ .]"
1 8 SER 1.330 0.296 3 0 "[ .]"
1 10 TYR 0.000 0.000 . 0 "[ .]"
1 11 ASP 0.000 0.000 . 0 "[ .]"
1 12 GLY 0.000 0.000 . 0 "[ .]"
1 13 TYR 0.000 0.000 . 0 "[ .]"
1 14 CYS 0.000 0.000 . 0 "[ .]"
1 15 LEU 0.389 0.087 5 0 "[ .]"
1 16 ASN 0.048 0.045 1 0 "[ .]"
1 17 GLY 0.108 0.082 1 0 "[ .]"
1 18 GLY 0.131 0.082 1 0 "[ .]"
1 19 VAL 2.114 0.432 4 0 "[ .]"
1 20 CYS 0.011 0.011 4 0 "[ .]"
1 21 MET 0.000 0.000 . 0 "[ .]"
1 22 HIS 0.047 0.037 2 0 "[ .]"
1 23 ILE 0.089 0.037 2 0 "[ .]"
1 26 LEU 0.000 0.000 . 0 "[ .]"
1 28 SER 0.000 0.000 . 0 "[ .]"
1 29 TYR 0.000 0.000 . 0 "[ .]"
1 30 THR 0.010 0.010 5 0 "[ .]"
1 31 CYS 0.000 0.000 . 0 "[ .]"
1 32 ASN 0.000 0.000 . 0 "[ .]"
1 33 CYS 0.097 0.055 4 0 "[ .]"
1 34 VAL 0.500 0.103 3 0 "[ .]"
1 35 ILE 0.901 0.204 1 0 "[ .]"
1 36 GLY 0.579 0.204 1 0 "[ .]"
1 37 TYR 5.540 0.770 5 5 [***-+]
1 38 SER 1.249 0.285 2 0 "[ .]"
1 39 GLY 0.093 0.057 5 0 "[ .]"
1 40 ASP 0.000 0.000 . 0 "[ .]"
1 41 ARG 0.000 0.000 . 0 "[ .]"
1 42 CYS 0.471 0.198 3 0 "[ .]"
1 43 GLN 0.000 0.000 . 0 "[ .]"
1 44 THR 0.006 0.006 3 0 "[ .]"
1 45 ARG 6.370 0.770 5 5 [***-+]
1 46 ASP 2.473 0.339 5 0 "[ .]"
1 47 LEU 3.049 0.581 2 2 "[-+ .]"
1 48 ARG 0.017 0.017 4 0 "[ .]"
1 49 TRP 0.363 0.175 4 0 "[ .]"
1 50 TRP 4.227 0.581 2 2 "[-+ .]"
1 51 GLU 1.518 0.363 5 0 "[ .]"
1 52 LEU 0.068 0.068 4 0 "[ .]"
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 SER HA 1 23 ILE HA 2.900 . 4.000 3.831 3.529 4.026 0.026 3 0 "[ .]" 1
2 1 3 TYR H 1 3 TYR HA 2.600 . 3.500 2.866 2.750 2.941 . 0 0 "[ .]" 1
3 1 3 TYR HA 1 4 PRO QD 2.600 . 3.500 2.088 2.038 2.124 . 0 0 "[ .]" 1
4 1 3 TYR QB 1 4 PRO QD 2.900 . 4.000 2.617 2.216 3.196 . 0 0 "[ .]" 1
5 1 3 TYR QD 1 4 PRO QD 2.900 . 4.000 2.712 2.348 2.978 . 0 0 "[ .]" 1
6 1 4 PRO HA 1 5 GLY H 2.900 . 4.000 2.242 2.183 2.308 . 0 0 "[ .]" 1
7 1 4 PRO HA 1 21 MET HA 2.900 . 4.000 2.713 2.353 2.909 . 0 0 "[ .]" 1
8 1 5 GLY QA 1 6 CYS H 2.900 . 4.000 2.169 2.125 2.192 . 0 0 "[ .]" 1
9 1 5 GLY QA 1 21 MET HA 2.900 . 4.000 3.723 3.684 3.800 . 0 0 "[ .]" 1
10 1 6 CYS H 1 6 CYS QB 2.900 . 4.000 3.283 3.017 3.423 . 0 0 "[ .]" 1
11 1 6 CYS HA 1 7 PRO QD 2.900 . 4.000 2.018 1.984 2.036 . 0 0 "[ .]" 1
12 1 6 CYS HA 1 10 TYR QD 2.900 . 4.000 3.700 3.580 3.810 . 0 0 "[ .]" 1
13 1 6 CYS QB 1 10 TYR QD 2.900 . 4.000 2.954 2.351 3.301 . 0 0 "[ .]" 1
14 1 6 CYS HA 1 29 TYR QD 2.900 . 4.000 2.538 2.356 2.733 . 0 0 "[ .]" 1
15 1 6 CYS HA 1 29 TYR QE 2.900 . 4.000 3.538 3.411 3.639 . 0 0 "[ .]" 1
16 1 7 PRO HA 1 8 SER HA 2.900 . 4.000 4.266 4.246 4.296 0.296 3 0 "[ .]" 1
17 1 7 PRO QB 1 10 TYR QD 2.900 . 4.000 3.202 2.933 3.279 . 0 0 "[ .]" 1
18 1 7 PRO QG 1 10 TYR QD 2.900 . 4.000 2.814 2.221 3.188 . 0 0 "[ .]" 1
19 1 7 PRO QG 1 10 TYR QE 2.900 . 4.000 2.975 2.578 3.572 . 0 0 "[ .]" 1
20 1 7 PRO QD 1 10 TYR QD 2.900 . 4.000 2.271 2.235 2.320 . 0 0 "[ .]" 1
21 1 7 PRO QD 1 29 TYR QE 2.900 . 4.000 2.849 2.613 3.011 . 0 0 "[ .]" 1
22 1 10 TYR H 1 10 TYR HA 2.400 . 3.000 2.695 2.363 2.971 . 0 0 "[ .]" 1
23 1 10 TYR H 1 10 TYR QB 2.600 . 3.500 2.546 2.046 3.073 . 0 0 "[ .]" 1
24 1 10 TYR H 1 10 TYR QD 2.600 . 3.500 3.137 2.910 3.342 . 0 0 "[ .]" 1
25 1 10 TYR H 1 11 ASP H 2.600 . 3.500 2.857 2.360 3.032 . 0 0 "[ .]" 1
26 1 10 TYR HA 1 11 ASP H 2.600 . 3.500 2.951 2.641 3.277 . 0 0 "[ .]" 1
27 1 10 TYR HA 1 13 TYR QD 2.600 . 3.500 3.277 3.244 3.311 . 0 0 "[ .]" 1
28 1 10 TYR QD 1 13 TYR QB 2.600 . 3.500 2.896 2.851 2.981 . 0 0 "[ .]" 1
29 1 10 TYR QD 1 13 TYR QD 2.600 . 3.500 2.038 1.908 2.440 . 0 0 "[ .]" 1
30 1 10 TYR QD 1 13 TYR QE 2.900 . 4.000 3.330 3.206 3.412 . 0 0 "[ .]" 1
31 1 10 TYR QE 1 13 TYR QB 2.900 . 4.000 3.367 3.213 3.457 . 0 0 "[ .]" 1
32 1 10 TYR QE 1 13 TYR QD 2.900 . 4.000 2.925 2.826 3.008 . 0 0 "[ .]" 1
33 1 10 TYR QE 1 13 TYR QE 2.900 . 4.000 3.247 3.219 3.271 . 0 0 "[ .]" 1
34 1 10 TYR QE 1 29 TYR QB 2.900 . 4.000 2.394 2.251 2.781 . 0 0 "[ .]" 1
35 1 10 TYR QE 1 29 TYR QD 2.900 . 4.000 3.212 3.148 3.283 . 0 0 "[ .]" 1
36 1 11 ASP H 1 11 ASP HA 2.600 . 3.500 2.937 2.810 2.981 . 0 0 "[ .]" 1
37 1 11 ASP H 1 11 ASP QB 2.400 . 3.000 2.411 2.244 2.667 . 0 0 "[ .]" 1
38 1 12 GLY QA 1 13 TYR H 2.900 . 4.000 2.805 2.436 2.975 . 0 0 "[ .]" 1
39 1 13 TYR H 1 13 TYR HA 2.600 . 3.500 2.847 2.648 2.941 . 0 0 "[ .]" 1
40 1 13 TYR H 1 13 TYR QB 2.400 . 3.000 2.134 2.071 2.257 . 0 0 "[ .]" 1
41 1 13 TYR H 1 13 TYR QD 2.900 . 4.000 3.473 2.930 3.706 . 0 0 "[ .]" 1
42 1 13 TYR H 1 14 CYS H 2.600 . 3.500 2.637 2.252 3.358 . 0 0 "[ .]" 1
43 1 13 TYR QB 1 14 CYS H 2.600 . 3.500 2.965 1.912 3.390 . 0 0 "[ .]" 1
44 1 13 TYR QD 1 14 CYS H 2.900 . 4.000 3.375 3.277 3.585 . 0 0 "[ .]" 1
45 1 13 TYR QD 1 30 THR HA 2.900 . 4.000 3.688 3.656 3.752 . 0 0 "[ .]" 1
46 1 13 TYR QE 1 30 THR HA 2.600 . 3.500 2.647 2.417 3.276 . 0 0 "[ .]" 1
47 1 13 TYR QD 1 41 ARG QD 2.900 . 4.000 3.154 3.013 3.277 . 0 0 "[ .]" 1
48 1 13 TYR QE 1 41 ARG QB 2.900 . 4.000 3.109 2.882 3.217 . 0 0 "[ .]" 1
49 1 13 TYR QE 1 41 ARG QG 2.900 . 4.000 3.279 3.200 3.361 . 0 0 "[ .]" 1
50 1 13 TYR QE 1 41 ARG QD 2.600 . 3.500 2.324 2.042 2.587 . 0 0 "[ .]" 1
51 1 14 CYS H 1 14 CYS HA 2.600 . 3.500 2.960 2.915 2.984 . 0 0 "[ .]" 1
52 1 14 CYS H 1 14 CYS QB 2.600 . 3.500 2.820 2.584 2.958 . 0 0 "[ .]" 1
53 1 14 CYS HA 1 15 LEU H 2.400 . 3.000 2.271 2.147 2.422 . 0 0 "[ .]" 1
54 1 15 LEU H 1 15 LEU HA 2.600 . 3.500 2.941 2.871 2.996 . 0 0 "[ .]" 1
55 1 15 LEU H 1 15 LEU QB 2.900 . 4.000 2.861 2.747 2.974 . 0 0 "[ .]" 1
56 1 15 LEU H 1 15 LEU QD 2.600 . 4.000 1.732 1.713 1.760 0.087 5 0 "[ .]" 1
57 1 15 LEU HA 1 16 ASN H 2.600 . 3.500 3.275 3.037 3.545 0.045 1 0 "[ .]" 1
58 1 15 LEU QB 1 16 ASN H 2.900 . 4.000 2.638 1.854 3.553 . 0 0 "[ .]" 1
59 1 15 LEU QB 1 16 ASN QD 2.900 . 4.000 2.826 2.322 3.242 . 0 0 "[ .]" 1
60 1 15 LEU QD 1 16 ASN H 2.900 . 4.500 3.035 2.192 3.379 . 0 0 "[ .]" 1
61 1 15 LEU QD 1 16 ASN QD 2.900 . 4.500 2.525 1.930 2.981 . 0 0 "[ .]" 1
62 1 15 LEU QD 1 41 ARG QG 2.900 . 4.500 2.839 2.496 3.054 . 0 0 "[ .]" 1
63 1 15 LEU QD 1 41 ARG HE 2.900 . 4.500 2.782 2.062 3.344 . 0 0 "[ .]" 1
64 1 15 LEU QD 1 43 GLN HA 2.400 . 3.500 2.392 2.237 2.522 . 0 0 "[ .]" 1
65 1 15 LEU QD 1 43 GLN QB 2.900 . 4.500 2.889 2.656 2.988 . 0 0 "[ .]" 1
66 1 16 ASN H 1 16 ASN HA 2.600 . 3.500 2.816 2.396 2.995 . 0 0 "[ .]" 1
67 1 16 ASN HA 1 37 TYR QE 2.900 . 4.000 3.682 3.646 3.730 . 0 0 "[ .]" 1
68 1 16 ASN QB 1 37 TYR QD 2.900 . 4.000 3.186 2.899 3.284 . 0 0 "[ .]" 1
69 1 16 ASN QB 1 37 TYR QE 2.900 . 4.000 2.366 2.199 2.799 . 0 0 "[ .]" 1
70 1 16 ASN QD 1 37 TYR QD 2.900 . 4.000 2.945 2.525 3.276 . 0 0 "[ .]" 1
71 1 16 ASN QD 1 37 TYR QE 2.900 . 4.000 2.763 2.076 3.210 . 0 0 "[ .]" 1
72 1 16 ASN QD 1 43 GLN HA 2.600 . 3.500 3.065 2.815 3.228 . 0 0 "[ .]" 1
73 1 17 GLY H 1 17 GLY QA 2.600 . 3.500 2.253 2.226 2.267 . 0 0 "[ .]" 1
74 1 17 GLY H 1 18 GLY H 2.900 . 4.000 3.561 2.966 4.082 0.082 1 0 "[ .]" 1
75 1 17 GLY QA 1 18 GLY H 2.900 . 4.000 2.257 2.125 2.436 . 0 0 "[ .]" 1
76 1 18 GLY H 1 18 GLY QA 2.400 . 3.000 2.337 2.222 2.474 . 0 0 "[ .]" 1
77 1 18 GLY H 1 19 VAL H 2.900 . 4.000 3.301 1.777 3.945 0.023 4 0 "[ .]" 1
78 1 18 GLY H 1 19 VAL QG 2.900 . 4.500 3.456 3.382 3.522 . 0 0 "[ .]" 1
79 1 18 GLY QA 1 19 VAL H 2.900 . 4.000 2.243 2.074 2.743 . 0 0 "[ .]" 1
80 1 19 VAL H 1 19 VAL HA 2.100 . 2.500 2.916 2.874 2.932 0.432 4 0 "[ .]" 1
81 1 19 VAL H 1 19 VAL HB 2.600 . 3.500 2.634 2.491 2.989 . 0 0 "[ .]" 1
82 1 19 VAL H 1 19 VAL QG 2.400 . 3.500 2.314 2.055 2.514 . 0 0 "[ .]" 1
83 1 19 VAL HA 1 20 CYS H 2.100 . 2.500 2.203 2.129 2.434 . 0 0 "[ .]" 1
84 1 19 VAL QG 1 20 CYS H 2.600 . 4.000 2.797 1.789 3.101 0.011 4 0 "[ .]" 1
85 1 19 VAL QG 1 21 MET QG 2.900 . 4.500 2.818 2.562 3.065 . 0 0 "[ .]" 1
86 1 19 VAL H 1 32 ASN H 2.900 . 4.000 2.838 2.177 3.460 . 0 0 "[ .]" 1
87 1 19 VAL H 1 32 ASN QB 2.900 . 4.000 3.194 2.757 3.571 . 0 0 "[ .]" 1
88 1 19 VAL HB 1 32 ASN QB 2.900 . 4.000 2.137 2.040 2.206 . 0 0 "[ .]" 1
89 1 19 VAL QG 1 32 ASN QB 2.900 . 4.500 2.645 2.191 2.828 . 0 0 "[ .]" 1
90 1 20 CYS H 1 20 CYS HA 2.900 . 4.000 2.864 2.808 2.973 . 0 0 "[ .]" 1
91 1 20 CYS H 1 20 CYS QB 2.600 . 3.500 2.180 1.916 2.665 . 0 0 "[ .]" 1
92 1 20 CYS HA 1 21 MET H 2.400 . 3.000 2.123 2.067 2.251 . 0 0 "[ .]" 1
93 1 20 CYS HA 1 31 CYS HA 2.400 . 3.000 2.208 2.184 2.232 . 0 0 "[ .]" 1
94 1 20 CYS QB 1 31 CYS HA 2.900 . 4.000 3.746 3.660 3.847 . 0 0 "[ .]" 1
95 1 21 MET H 1 21 MET HA 2.900 . 4.000 2.977 2.955 3.004 . 0 0 "[ .]" 1
96 1 21 MET H 1 21 MET QB 2.900 . 4.000 2.984 2.865 3.093 . 0 0 "[ .]" 1
97 1 21 MET H 1 21 MET QG 2.900 . 4.000 2.406 2.089 2.594 . 0 0 "[ .]" 1
98 1 21 MET HA 1 22 HIS H 2.400 . 3.000 2.463 2.385 2.554 . 0 0 "[ .]" 1
99 1 21 MET QB 1 22 HIS H 2.900 . 4.000 2.313 2.209 2.386 . 0 0 "[ .]" 1
100 1 21 MET H 1 30 THR H 2.900 . 4.000 2.865 2.603 3.112 . 0 0 "[ .]" 1
101 1 21 MET QB 1 30 THR H 2.900 . 4.000 3.708 3.698 3.721 . 0 0 "[ .]" 1
102 1 21 MET QG 1 30 THR MG 2.900 . 4.500 3.377 3.341 3.394 . 0 0 "[ .]" 1
103 1 21 MET H 1 31 CYS HA 2.900 . 4.000 3.430 3.336 3.537 . 0 0 "[ .]" 1
104 1 21 MET QG 1 32 ASN QB 2.900 . 4.000 3.021 2.708 3.285 . 0 0 "[ .]" 1
105 1 22 HIS H 1 22 HIS QB 2.900 . 4.000 2.605 2.420 2.894 . 0 0 "[ .]" 1
106 1 22 HIS HA 1 23 ILE H 2.600 . 3.500 3.154 2.196 3.537 0.037 2 0 "[ .]" 1
107 1 22 HIS HA 1 29 TYR HA 2.900 . 4.000 2.582 2.465 2.794 . 0 0 "[ .]" 1
108 1 22 HIS HA 1 29 TYR QD 2.900 . 4.000 2.536 2.362 2.907 . 0 0 "[ .]" 1
109 1 22 HIS HA 1 29 TYR QE 2.900 . 4.000 3.531 3.353 3.707 . 0 0 "[ .]" 1
110 1 22 HIS QB 1 29 TYR QD 2.900 . 4.000 2.800 2.586 3.201 . 0 0 "[ .]" 1
111 1 22 HIS QB 1 29 TYR QE 2.900 . 4.000 2.234 2.033 2.300 . 0 0 "[ .]" 1
112 1 22 HIS HA 1 30 THR H 2.900 . 4.000 3.871 3.779 4.010 0.010 5 0 "[ .]" 1
113 1 23 ILE MD 1 30 THR MG 2.600 . 4.500 2.606 2.062 3.119 . 0 0 "[ .]" 1
114 1 26 LEU H 1 26 LEU HA 2.900 . 4.000 2.668 2.352 2.917 . 0 0 "[ .]" 1
115 1 26 LEU H 1 26 LEU QD 2.900 . 4.500 2.583 2.129 3.279 . 0 0 "[ .]" 1
116 1 28 SER H 1 28 SER HA 2.900 . 4.000 2.552 2.327 2.962 . 0 0 "[ .]" 1
117 1 28 SER HA 1 29 TYR H 2.600 . 3.500 3.059 2.107 3.452 . 0 0 "[ .]" 1
118 1 29 TYR H 1 29 TYR HA 2.600 . 3.500 2.556 2.323 2.973 . 0 0 "[ .]" 1
119 1 29 TYR H 1 29 TYR QB 2.900 . 4.000 3.020 2.340 3.381 . 0 0 "[ .]" 1
120 1 29 TYR HA 1 30 THR H 2.400 . 3.000 2.210 2.168 2.265 . 0 0 "[ .]" 1
121 1 29 TYR QB 1 30 THR H 2.900 . 4.000 3.342 3.073 3.533 . 0 0 "[ .]" 1
122 1 30 THR H 1 30 THR HA 2.600 . 3.500 2.953 2.936 2.986 . 0 0 "[ .]" 1
123 1 30 THR H 1 30 THR MG 2.900 . 4.500 2.364 2.254 2.479 . 0 0 "[ .]" 1
124 1 30 THR HA 1 31 CYS H 2.400 . 3.000 2.391 2.260 2.524 . 0 0 "[ .]" 1
125 1 30 THR HB 1 31 CYS H 2.900 . 4.000 3.626 3.505 3.755 . 0 0 "[ .]" 1
126 1 30 THR MG 1 31 CYS H 2.900 . 4.500 3.326 2.886 3.687 . 0 0 "[ .]" 1
127 1 31 CYS H 1 31 CYS HA 2.600 . 3.500 2.968 2.938 2.996 . 0 0 "[ .]" 1
128 1 31 CYS H 1 31 CYS QB 2.600 . 3.500 2.531 2.127 2.911 . 0 0 "[ .]" 1
129 1 31 CYS HA 1 32 ASN H 2.400 . 3.000 2.185 2.129 2.235 . 0 0 "[ .]" 1
130 1 31 CYS QB 1 32 ASN H 2.900 . 4.000 3.477 3.354 3.598 . 0 0 "[ .]" 1
131 1 32 ASN H 1 32 ASN HA 2.900 . 4.000 2.861 2.777 2.910 . 0 0 "[ .]" 1
132 1 32 ASN H 1 32 ASN QB 2.600 . 3.500 2.152 2.105 2.177 . 0 0 "[ .]" 1
133 1 32 ASN HA 1 33 CYS H 2.400 . 3.000 2.182 2.145 2.220 . 0 0 "[ .]" 1
134 1 33 CYS H 1 33 CYS QB 2.900 . 4.000 2.065 2.020 2.143 . 0 0 "[ .]" 1
135 1 33 CYS QB 1 34 VAL H 2.900 . 4.000 1.781 1.745 1.801 0.055 4 0 "[ .]" 1
136 1 34 VAL H 1 34 VAL HB 2.600 . 3.500 3.453 3.353 3.564 0.064 1 0 "[ .]" 1
137 1 34 VAL H 1 34 VAL QG 2.600 . 4.000 2.101 2.035 2.150 . 0 0 "[ .]" 1
138 1 34 VAL HA 1 35 ILE H 2.100 . 2.500 2.564 2.516 2.603 0.103 3 0 "[ .]" 1
139 1 34 VAL HB 1 35 ILE H 2.600 . 3.500 2.052 1.956 2.254 . 0 0 "[ .]" 1
140 1 34 VAL QG 1 35 ILE H 2.600 . 4.000 2.152 1.933 2.450 . 0 0 "[ .]" 1
141 1 34 VAL HB 1 37 TYR QD 2.600 . 3.500 2.818 2.332 3.173 . 0 0 "[ .]" 1
142 1 34 VAL HB 1 37 TYR QE 2.600 . 3.500 2.196 2.117 2.261 . 0 0 "[ .]" 1
143 1 34 VAL QG 1 37 TYR QD 2.600 . 4.000 2.617 2.499 2.707 . 0 0 "[ .]" 1
144 1 34 VAL QG 1 37 TYR QE 2.400 . 3.500 2.288 2.173 2.397 . 0 0 "[ .]" 1
145 1 35 ILE H 1 35 ILE HA 2.400 . 3.000 2.906 2.901 2.912 . 0 0 "[ .]" 1
146 1 35 ILE H 1 35 ILE HB 2.100 . 2.500 2.144 2.111 2.195 . 0 0 "[ .]" 1
147 1 35 ILE H 1 35 ILE QG 2.600 . 3.500 2.707 2.470 2.958 . 0 0 "[ .]" 1
148 1 35 ILE H 1 35 ILE MG 2.600 . 4.000 3.596 3.557 3.620 . 0 0 "[ .]" 1
149 1 35 ILE H 1 35 ILE MD 2.900 . 4.500 3.525 3.295 3.748 . 0 0 "[ .]" 1
150 1 35 ILE H 1 36 GLY H 2.900 . 4.000 4.116 4.006 4.204 0.204 1 0 "[ .]" 1
151 1 35 ILE HA 1 36 GLY H 2.100 . 2.500 2.181 2.085 2.331 . 0 0 "[ .]" 1
152 1 35 ILE MG 1 36 GLY H 2.900 . 4.500 3.286 3.128 3.537 . 0 0 "[ .]" 1
153 1 35 ILE H 1 37 TYR QE 2.900 . 4.000 3.855 3.758 3.961 . 0 0 "[ .]" 1
154 1 35 ILE HA 1 37 TYR H 2.900 . 4.000 3.806 3.625 3.967 . 0 0 "[ .]" 1
155 1 35 ILE MG 1 49 TRP HH2 2.900 . 4.500 2.920 2.315 3.288 . 0 0 "[ .]" 1
156 1 35 ILE MG 1 49 TRP HZ2 2.900 . 4.500 3.176 2.382 3.837 . 0 0 "[ .]" 1
157 1 36 GLY H 1 36 GLY QA 2.400 . 3.000 2.433 2.396 2.476 . 0 0 "[ .]" 1
158 1 36 GLY H 1 37 TYR H 2.900 . 4.000 2.239 1.961 2.490 . 0 0 "[ .]" 1
159 1 36 GLY QA 1 37 TYR H 2.900 . 4.000 2.822 2.788 2.851 . 0 0 "[ .]" 1
160 1 36 GLY QA 1 37 TYR HA 2.900 . 4.000 3.913 3.890 3.939 . 0 0 "[ .]" 1
161 1 36 GLY QA 1 37 TYR QD 2.900 . 4.000 3.214 3.178 3.248 . 0 0 "[ .]" 1
162 1 36 GLY QA 1 49 TRP HD1 2.900 . 4.000 3.486 3.172 3.728 . 0 0 "[ .]" 1
163 1 37 TYR H 1 37 TYR HA 2.400 . 3.000 2.914 2.891 2.942 . 0 0 "[ .]" 1
164 1 37 TYR H 1 37 TYR QB 2.900 . 4.000 3.228 3.175 3.260 . 0 0 "[ .]" 1
165 1 37 TYR H 1 37 TYR QD 2.600 . 3.500 1.616 1.601 1.631 0.199 5 0 "[ .]" 1
166 1 37 TYR H 1 37 TYR QE 2.900 . 4.000 3.834 3.788 3.882 . 0 0 "[ .]" 1
167 1 37 TYR HA 1 38 SER H 2.400 . 3.000 2.131 2.094 2.149 . 0 0 "[ .]" 1
168 1 37 TYR QB 1 38 SER H 2.900 . 4.000 2.515 2.459 2.602 . 0 0 "[ .]" 1
169 1 37 TYR HA 1 42 CYS HA 2.900 . 4.000 4.086 4.003 4.198 0.198 3 0 "[ .]" 1
170 1 37 TYR HA 1 42 CYS QB 2.900 . 4.000 3.968 3.901 4.038 0.038 2 0 "[ .]" 1
171 1 37 TYR QD 1 42 CYS HA 2.900 . 4.000 3.872 3.754 3.987 . 0 0 "[ .]" 1
172 1 37 TYR QD 1 42 CYS QB 2.900 . 4.000 2.347 2.202 2.460 . 0 0 "[ .]" 1
173 1 37 TYR HA 1 45 ARG HA 2.400 . 3.000 3.716 3.672 3.770 0.770 5 5 [***-+] 1
174 1 37 TYR QD 1 45 ARG HA 2.600 . 3.500 2.271 2.237 2.302 . 0 0 "[ .]" 1
175 1 37 TYR QD 1 45 ARG QB 2.900 . 4.000 2.227 2.135 2.472 . 0 0 "[ .]" 1
176 1 37 TYR QD 1 45 ARG QG 2.900 . 4.000 2.710 2.184 3.009 . 0 0 "[ .]" 1
177 1 37 TYR QD 1 45 ARG QD 2.900 . 4.000 3.257 3.234 3.283 . 0 0 "[ .]" 1
178 1 37 TYR QE 1 45 ARG HA 2.600 . 4.000 4.014 3.963 4.061 0.061 3 0 "[ .]" 1
179 1 37 TYR QE 1 45 ARG QB 2.600 . 3.500 2.983 2.785 3.045 . 0 0 "[ .]" 1
180 1 37 TYR QE 1 45 ARG QG 2.900 . 4.000 2.832 2.513 3.352 . 0 0 "[ .]" 1
181 1 37 TYR QE 1 45 ARG QD 2.600 . 3.500 2.343 2.195 2.722 . 0 0 "[ .]" 1
182 1 37 TYR HA 1 46 ASP H 2.600 . 3.500 3.588 3.533 3.677 0.177 3 0 "[ .]" 1
183 1 37 TYR QB 1 49 TRP HD1 2.900 . 4.500 4.316 4.254 4.373 . 0 0 "[ .]" 1
184 1 37 TYR QE 1 50 TRP HZ2 2.900 . 4.000 3.681 3.141 3.977 . 0 0 "[ .]" 1
185 1 38 SER H 1 38 SER QB 2.600 . 3.500 2.989 2.867 3.125 . 0 0 "[ .]" 1
186 1 38 SER QB 1 39 GLY H 2.400 . 3.000 1.830 1.743 2.007 0.057 5 0 "[ .]" 1
187 1 38 SER H 1 44 THR H 2.900 . 4.000 3.930 3.797 4.006 0.006 3 0 "[ .]" 1
188 1 38 SER H 1 45 ARG HA 2.900 . 4.000 4.230 4.192 4.285 0.285 2 0 "[ .]" 1
189 1 39 GLY H 1 39 GLY QA 2.600 . 3.500 2.349 2.307 2.390 . 0 0 "[ .]" 1
190 1 39 GLY QA 1 40 ASP H 2.900 . 4.000 2.298 2.171 2.619 . 0 0 "[ .]" 1
191 1 40 ASP H 1 40 ASP HA 2.900 . 4.000 2.774 2.332 2.925 . 0 0 "[ .]" 1
192 1 40 ASP H 1 40 ASP QB 2.900 . 4.000 2.763 2.278 3.428 . 0 0 "[ .]" 1
193 1 41 ARG H 1 41 ARG QB 2.900 . 4.000 3.284 2.799 3.478 . 0 0 "[ .]" 1
194 1 41 ARG H 1 41 ARG QG 2.900 . 4.000 2.808 2.380 3.648 . 0 0 "[ .]" 1
195 1 41 ARG H 1 42 CYS H 2.600 . 3.500 2.463 1.808 2.801 . 0 0 "[ .]" 1
196 1 41 ARG HA 1 42 CYS H 2.900 . 4.000 2.591 2.423 2.897 . 0 0 "[ .]" 1
197 1 41 ARG H 1 43 GLN H 2.900 . 4.000 2.337 2.141 2.491 . 0 0 "[ .]" 1
198 1 42 CYS H 1 42 CYS HA 2.400 . 3.000 2.348 2.332 2.365 . 0 0 "[ .]" 1
199 1 42 CYS H 1 43 GLN H 2.600 . 3.500 2.667 2.546 2.795 . 0 0 "[ .]" 1
200 1 42 CYS HA 1 43 GLN H 2.900 . 4.000 3.078 3.032 3.109 . 0 0 "[ .]" 1
201 1 43 GLN H 1 43 GLN HA 2.900 . 4.000 2.827 2.815 2.848 . 0 0 "[ .]" 1
202 1 43 GLN H 1 43 GLN QB 2.900 . 4.000 2.465 2.197 2.861 . 0 0 "[ .]" 1
203 1 43 GLN H 1 44 THR H 2.600 . 3.500 2.428 2.286 2.492 . 0 0 "[ .]" 1
204 1 44 THR H 1 44 THR HA 2.900 . 4.000 2.949 2.936 2.961 . 0 0 "[ .]" 1
205 1 44 THR H 1 44 THR HB 2.600 . 3.500 2.549 2.302 2.858 . 0 0 "[ .]" 1
206 1 44 THR H 1 44 THR MG 2.900 . 4.500 3.740 3.716 3.779 . 0 0 "[ .]" 1
207 1 44 THR HA 1 45 ARG H 2.900 . 4.000 2.288 2.242 2.331 . 0 0 "[ .]" 1
208 1 44 THR MG 1 45 ARG H 2.900 . 4.500 3.722 3.603 3.808 . 0 0 "[ .]" 1
209 1 45 ARG H 1 45 ARG HA 2.900 . 4.000 2.924 2.908 2.944 . 0 0 "[ .]" 1
210 1 45 ARG H 1 45 ARG QB 2.900 . 4.000 2.316 2.175 2.788 . 0 0 "[ .]" 1
211 1 45 ARG HA 1 46 ASP H 2.100 . 2.500 2.115 2.082 2.191 . 0 0 "[ .]" 1
212 1 45 ARG HA 1 46 ASP HA 2.900 . 4.000 4.302 4.276 4.339 0.339 5 0 "[ .]" 1
213 1 46 ASP H 1 46 ASP HA 2.400 . 3.000 2.884 2.871 2.893 . 0 0 "[ .]" 1
214 1 46 ASP H 1 46 ASP QB 2.400 . 3.000 2.214 2.137 2.302 . 0 0 "[ .]" 1
215 1 46 ASP HA 1 47 LEU H 2.100 . 2.500 2.590 2.430 2.651 0.151 1 0 "[ .]" 1
216 1 46 ASP QB 1 49 TRP HD1 2.900 . 4.000 2.308 2.037 2.739 . 0 0 "[ .]" 1
217 1 47 LEU H 1 47 LEU HA 2.400 . 3.000 2.377 2.291 2.462 . 0 0 "[ .]" 1
218 1 47 LEU H 1 47 LEU QB 2.900 . 4.000 3.171 3.078 3.297 . 0 0 "[ .]" 1
219 1 47 LEU H 1 47 LEU HG 2.400 . 3.000 2.430 2.008 2.635 . 0 0 "[ .]" 1
220 1 47 LEU H 1 47 LEU QD 2.900 . 4.500 2.760 1.737 3.418 0.063 5 0 "[ .]" 1
221 1 47 LEU HA 1 50 TRP HZ2 2.900 . 4.000 4.493 4.416 4.581 0.581 2 2 "[-+ .]" 1
222 1 48 ARG H 1 48 ARG HA 2.400 . 3.000 2.529 2.273 2.927 . 0 0 "[ .]" 1
223 1 48 ARG H 1 48 ARG QB 2.600 . 3.500 2.771 2.402 3.184 . 0 0 "[ .]" 1
224 1 48 ARG H 1 48 ARG QG 2.900 . 4.000 2.989 2.082 3.416 . 0 0 "[ .]" 1
225 1 48 ARG HA 1 49 TRP H 2.600 . 3.500 2.252 1.954 3.232 . 0 0 "[ .]" 1
226 1 48 ARG QB 1 49 TRP H 2.900 . 4.000 3.489 3.170 3.643 . 0 0 "[ .]" 1
227 1 48 ARG QG 1 50 TRP HZ2 2.900 . 4.000 3.774 3.588 4.017 0.017 4 0 "[ .]" 1
228 1 48 ARG QD 1 50 TRP HH2 2.900 . 4.000 3.028 1.996 3.989 . 0 0 "[ .]" 1
229 1 48 ARG QD 1 50 TRP HZ2 2.900 . 4.000 3.211 2.442 3.849 . 0 0 "[ .]" 1
230 1 49 TRP H 1 49 TRP HA 2.400 . 3.000 2.892 2.838 2.985 . 0 0 "[ .]" 1
231 1 49 TRP H 1 49 TRP QB 2.600 . 3.500 2.866 2.308 3.217 . 0 0 "[ .]" 1
232 1 49 TRP H 1 49 TRP HD1 2.900 . 4.000 3.522 2.948 4.067 0.067 1 0 "[ .]" 1
233 1 49 TRP H 1 50 TRP H 2.900 . 4.000 2.296 1.625 3.301 0.175 4 0 "[ .]" 1
234 1 49 TRP HE3 1 50 TRP HA 2.900 . 4.000 3.098 2.635 3.551 . 0 0 "[ .]" 1
235 1 49 TRP HE3 1 50 TRP QB 2.900 . 4.000 3.784 3.604 3.974 . 0 0 "[ .]" 1
236 1 49 TRP HZ3 1 50 TRP HA 2.900 . 4.000 3.506 2.835 4.032 0.032 1 0 "[ .]" 1
237 1 50 TRP H 1 51 GLU H 2.900 . 4.000 3.272 2.708 3.699 . 0 0 "[ .]" 1
238 1 50 TRP HA 1 51 GLU H 2.900 . 4.000 3.362 3.318 3.405 . 0 0 "[ .]" 1
239 1 50 TRP QB 1 51 GLU H 2.900 . 4.000 2.107 1.755 3.226 0.045 2 0 "[ .]" 1
240 1 50 TRP HD1 1 51 GLU QB 2.900 . 4.000 3.981 3.741 4.085 0.085 3 0 "[ .]" 1
241 1 50 TRP HZ3 1 51 GLU HA 2.900 . 4.500 4.687 4.257 4.863 0.363 5 0 "[ .]" 1
242 1 51 GLU QB 1 52 LEU H 2.900 . 4.000 2.888 1.732 3.750 0.068 4 0 "[ .]" 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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 CYS 0.000 0.000 . 0 "[ .]"
1 14 CYS 0.000 0.000 . 0 "[ .]"
1 20 CYS 0.000 0.000 . 0 "[ .]"
1 31 CYS 0.000 0.000 . 0 "[ .]"
1 33 CYS 0.000 0.000 . 0 "[ .]"
1 42 CYS 0.000 0.000 . 0 "[ .]"
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 6 CYS SG 1 20 CYS SG 2.020 . 2.120 2.016 2.014 2.017 . 0 0 "[ .]" 2
2 1 14 CYS SG 1 31 CYS SG 2.020 . 2.120 2.019 2.015 2.023 . 0 0 "[ .]" 2
3 1 33 CYS SG 1 42 CYS SG 2.020 . 2.120 2.026 2.017 2.031 . 0 0 "[ .]" 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 16
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 33.287
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0929
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0832
_Distance_constraint_stats_list.Viol_average_violations_only 0.1387
_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 19 VAL 0.351 0.156 4 0 "[ .]"
1 21 MET 0.550 0.162 5 0 "[ .]"
1 30 THR 0.550 0.162 5 0 "[ .]"
1 32 ASN 0.351 0.156 4 0 "[ .]"
1 34 VAL 3.116 0.328 3 0 "[ .]"
1 37 TYR 3.116 0.328 3 0 "[ .]"
1 38 SER 2.641 0.284 5 0 "[ .]"
1 44 THR 2.641 0.284 5 0 "[ .]"
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 21 MET H 1 30 THR O 1.800 . 2.300 1.958 1.787 2.214 . 0 0 "[ .]" 3
2 1 21 MET N 1 30 THR O 2.800 2.300 3.300 2.833 2.738 3.031 . 0 0 "[ .]" 3
3 1 21 MET O 1 30 THR H 1.800 . 2.300 2.389 2.325 2.462 0.162 5 0 "[ .]" 3
4 1 21 MET O 1 30 THR N 2.800 2.300 3.300 3.302 3.247 3.364 0.064 3 0 "[ .]" 3
5 1 19 VAL H 1 32 ASN O 1.800 . 2.300 2.350 2.274 2.456 0.156 4 0 "[ .]" 3
6 1 19 VAL N 1 32 ASN O 2.800 2.300 3.300 3.238 3.174 3.320 0.020 4 0 "[ .]" 3
7 1 19 VAL O 1 32 ASN H 1.800 . 2.300 1.999 1.785 2.356 0.056 4 0 "[ .]" 3
8 1 19 VAL O 1 32 ASN N 2.800 2.300 3.300 2.866 2.751 3.012 . 0 0 "[ .]" 3
9 1 34 VAL H 1 37 TYR O 1.800 . 2.300 2.539 2.479 2.628 0.328 3 0 "[ .]" 3
10 1 34 VAL N 1 37 TYR O 2.800 2.300 3.300 3.464 3.415 3.561 0.261 3 0 "[ .]" 3
11 1 34 VAL O 1 37 TYR H 1.800 . 2.300 2.461 2.420 2.538 0.238 2 0 "[ .]" 3
12 1 34 VAL O 1 37 TYR N 2.800 2.300 3.300 3.360 3.352 3.367 0.067 3 0 "[ .]" 3
13 1 38 SER H 1 44 THR O 1.800 . 2.300 2.564 2.544 2.584 0.284 5 0 "[ .]" 3
14 1 38 SER N 1 44 THR O 2.800 2.300 3.300 3.448 3.409 3.468 0.168 5 0 "[ .]" 3
15 1 38 SER O 1 44 THR H 1.800 . 2.300 2.388 2.218 2.485 0.185 4 0 "[ .]" 3
16 1 38 SER O 1 44 THR N 2.800 2.300 3.300 3.250 3.131 3.356 0.056 4 0 "[ .]" 3
stop_
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 6:11:51 PM GMT (wattos1)