NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645916 |
6pvt   |
30646 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6pvt
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 98
_Distance_constraint_stats_list.Viol_count 263
_Distance_constraint_stats_list.Viol_total 567.056
_Distance_constraint_stats_list.Viol_max 0.561
_Distance_constraint_stats_list.Viol_rms 0.1198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0579
_Distance_constraint_stats_list.Viol_average_violations_only 0.2156
_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 4 PRO 0.000 0.000 . 0 "[ . 1]"
1 5 PHE 0.527 0.133 7 0 "[ . 1]"
1 7 ILE 0.299 0.087 8 0 "[ . 1]"
1 16 SER 0.679 0.232 9 0 "[ . 1]"
1 18 LEU 0.603 0.161 6 0 "[ . 1]"
1 19 HIS 4.078 0.561 6 2 "[- .+ 1]"
1 20 PHE 13.102 0.540 1 3 "[+* -. 1]"
1 21 MET 3.114 0.411 9 0 "[ . 1]"
1 22 ALA 2.081 0.290 8 0 "[ . 1]"
1 23 TRP 3.356 0.383 8 0 "[ . 1]"
2 4 PRO 0.000 0.000 . 0 "[ . 1]"
2 5 PHE 0.264 0.090 8 0 "[ . 1]"
2 7 ILE 0.368 0.133 7 0 "[ . 1]"
2 16 SER 0.344 0.156 9 0 "[ . 1]"
2 18 LEU 0.964 0.226 6 0 "[ . 1]"
2 19 HIS 4.347 0.540 1 3 "[+* -. 1]"
2 20 PHE 13.760 0.537 1 1 "[+ . 1]"
2 21 MET 3.316 0.406 9 0 "[ . 1]"
2 22 ALA 1.538 0.285 3 0 "[ . 1]"
2 23 TRP 3.148 0.422 8 0 "[ . 1]"
3 4 PRO 0.000 0.000 . 0 "[ . 1]"
3 5 PHE 0.561 0.168 6 0 "[ . 1]"
3 7 ILE 0.187 0.090 8 0 "[ . 1]"
3 16 SER 0.583 0.118 9 0 "[ . 1]"
3 18 LEU 1.129 0.200 6 0 "[ . 1]"
3 19 HIS 3.911 0.537 1 1 "[+ . 1]"
3 20 PHE 13.803 0.559 6 3 "[* .+ -1]"
3 21 MET 3.185 0.407 6 0 "[ . 1]"
3 22 ALA 2.153 0.345 8 0 "[ . 1]"
3 23 TRP 3.132 0.371 6 0 "[ . 1]"
4 4 PRO 0.000 0.000 . 0 "[ . 1]"
4 5 PHE 0.476 0.125 9 0 "[ . 1]"
4 7 ILE 0.465 0.168 6 0 "[ . 1]"
4 16 SER 0.506 0.146 1 0 "[ . 1]"
4 18 LEU 1.464 0.328 6 0 "[ . 1]"
4 19 HIS 4.325 0.559 6 3 "[* .+ -1]"
4 20 PHE 13.576 0.561 6 2 "[- .+ 1]"
4 21 MET 3.217 0.452 5 0 "[ . 1]"
4 22 ALA 2.120 0.355 8 0 "[ . 1]"
4 23 TRP 2.727 0.349 5 0 "[ . 1]"
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 20 PHE HZ 2 16 SER CB 6.200 4.800 8.600 8.510 7.899 8.756 0.156 9 0 "[ . 1]" 1
2 1 20 PHE HZ 2 18 LEU CD2 7.300 6.100 8.800 7.817 6.049 8.821 0.051 6 0 "[ . 1]" 1
3 1 20 PHE HZ 2 18 LEU CD1 5.600 4.600 6.800 6.546 5.284 6.985 0.185 10 0 "[ . 1]" 1
4 1 20 PHE HZ 2 18 LEU CB 5.600 4.600 6.600 6.064 4.732 6.826 0.226 6 0 "[ . 1]" 1
5 1 20 PHE HZ 2 18 LEU CA 6.300 5.100 8.100 6.381 5.427 6.914 . 0 0 "[ . 1]" 1
6 1 20 PHE HZ 2 19 HIS CA 7.000 4.600 11.000 4.175 4.060 4.343 0.540 1 3 "[+* -. 1]" 1
7 1 20 PHE HZ 2 19 HIS CD2 5.400 3.900 7.500 5.161 3.801 6.695 0.099 8 0 "[ . 1]" 1
8 1 20 PHE HZ 2 21 MET CA 7.500 6.500 9.000 8.801 8.714 9.012 0.012 5 0 "[ . 1]" 1
9 1 20 PHE HZ 2 21 MET CB 6.600 4.600 8.600 8.930 8.835 9.006 0.406 9 0 "[ . 1]" 1
10 1 20 PHE HZ 2 22 ALA CA 6.500 5.000 8.900 7.343 7.194 7.623 . 0 0 "[ . 1]" 1
11 1 20 PHE HZ 2 22 ALA CB 7.600 6.400 8.800 6.246 6.115 6.360 0.285 3 0 "[ . 1]" 1
12 1 20 PHE HZ 2 23 TRP CG 6.100 5.100 7.100 7.348 7.147 7.522 0.422 8 0 "[ . 1]" 1
13 1 20 PHE HZ 2 23 TRP CE3 16.400 8.400 24.400 9.469 8.646 10.055 . 0 0 "[ . 1]" 1
14 1 20 PHE HZ 2 23 TRP CH2 16.400 8.400 24.400 10.681 8.283 11.601 0.117 5 0 "[ . 1]" 1
15 1 20 PHE HZ 2 23 TRP CZ3 16.400 8.400 24.400 10.534 8.967 11.286 . 0 0 "[ . 1]" 1
16 2 20 PHE HZ 3 16 SER CB 6.200 4.800 8.600 8.614 8.293 8.718 0.118 9 0 "[ . 1]" 1
17 2 20 PHE HZ 3 18 LEU CD2 7.300 6.100 8.800 7.789 5.900 8.839 0.200 6 0 "[ . 1]" 1
18 2 20 PHE HZ 3 18 LEU CD1 5.600 4.600 6.800 6.523 5.204 6.982 0.182 10 0 "[ . 1]" 1
19 2 20 PHE HZ 3 18 LEU CB 5.600 4.600 6.600 6.052 4.662 6.736 0.136 6 0 "[ . 1]" 1
20 2 20 PHE HZ 3 18 LEU CA 6.300 5.100 8.100 6.386 5.404 6.898 . 0 0 "[ . 1]" 1
21 2 20 PHE HZ 3 19 HIS CA 7.000 4.600 11.000 4.224 4.063 4.393 0.537 1 1 "[+ . 1]" 1
22 2 20 PHE HZ 3 19 HIS CD2 5.400 3.900 7.500 5.246 3.748 6.987 0.152 8 0 "[ . 1]" 1
23 2 20 PHE HZ 3 21 MET CA 7.500 6.500 9.000 8.797 8.699 8.985 . 0 0 "[ . 1]" 1
24 2 20 PHE HZ 3 21 MET CB 6.600 4.600 8.600 8.919 8.839 9.007 0.407 6 0 "[ . 1]" 1
25 2 20 PHE HZ 3 22 ALA CA 6.500 5.000 8.900 7.295 7.141 7.530 . 0 0 "[ . 1]" 1
26 2 20 PHE HZ 3 22 ALA CB 7.600 6.400 8.800 6.185 6.055 6.309 0.345 8 0 "[ . 1]" 1
27 2 20 PHE HZ 3 23 TRP CG 6.100 5.100 7.100 7.361 7.119 7.471 0.371 6 0 "[ . 1]" 1
28 2 20 PHE HZ 3 23 TRP CE3 16.400 8.400 24.400 9.473 8.628 10.064 . 0 0 "[ . 1]" 1
29 2 20 PHE HZ 3 23 TRP CH2 16.400 8.400 24.400 10.683 8.262 11.509 0.138 5 0 "[ . 1]" 1
30 2 20 PHE HZ 3 23 TRP CZ3 16.400 8.400 24.400 10.535 8.943 11.308 . 0 0 "[ . 1]" 1
31 3 20 PHE HZ 4 16 SER CB 6.200 4.800 8.600 8.583 8.135 8.746 0.146 1 0 "[ . 1]" 1
32 3 20 PHE HZ 4 18 LEU CD2 7.300 6.100 8.800 7.846 6.184 8.856 0.056 10 0 "[ . 1]" 1
33 3 20 PHE HZ 4 18 LEU CD1 5.600 4.600 6.800 6.578 5.286 7.032 0.232 3 0 "[ . 1]" 1
34 3 20 PHE HZ 4 18 LEU CB 5.600 4.600 6.600 6.096 4.731 6.928 0.328 6 0 "[ . 1]" 1
35 3 20 PHE HZ 4 18 LEU CA 6.300 5.100 8.100 6.406 5.436 6.958 . 0 0 "[ . 1]" 1
36 3 20 PHE HZ 4 19 HIS CA 7.000 4.600 11.000 4.183 4.041 4.414 0.559 6 3 "[* .+ -1]" 1
37 3 20 PHE HZ 4 19 HIS CD2 5.400 3.900 7.500 5.151 3.742 6.829 0.158 8 0 "[ . 1]" 1
38 3 20 PHE HZ 4 21 MET CA 7.500 6.500 9.000 8.776 8.647 9.055 0.055 5 0 "[ . 1]" 1
39 3 20 PHE HZ 4 21 MET CB 6.600 4.600 8.600 8.916 8.869 9.052 0.452 5 0 "[ . 1]" 1
40 3 20 PHE HZ 4 22 ALA CA 6.500 5.000 8.900 7.285 7.128 7.594 . 0 0 "[ . 1]" 1
41 3 20 PHE HZ 4 22 ALA CB 7.600 6.400 8.800 6.188 6.045 6.290 0.355 8 0 "[ . 1]" 1
42 3 20 PHE HZ 4 23 TRP CG 6.100 5.100 7.100 7.276 6.941 7.425 0.325 9 0 "[ . 1]" 1
43 3 20 PHE HZ 4 23 TRP CE3 16.400 8.400 24.400 9.391 8.586 10.015 . 0 0 "[ . 1]" 1
44 3 20 PHE HZ 4 23 TRP CH2 16.400 8.400 24.400 10.596 8.198 11.457 0.202 5 0 "[ . 1]" 1
45 3 20 PHE HZ 4 23 TRP CZ3 16.400 8.400 24.400 10.452 8.892 11.243 . 0 0 "[ . 1]" 1
46 1 16 SER CB 4 20 PHE HZ 6.200 4.800 8.600 8.584 8.277 8.832 0.232 9 0 "[ . 1]" 1
47 1 18 LEU CD2 4 20 PHE HZ 7.300 6.100 8.800 7.778 5.939 8.783 0.161 6 0 "[ . 1]" 1
48 1 18 LEU CD1 4 20 PHE HZ 5.600 4.600 6.800 6.511 5.278 6.939 0.139 10 0 "[ . 1]" 1
49 1 18 LEU CB 4 20 PHE HZ 5.600 4.600 6.600 6.030 4.746 6.644 0.044 6 0 "[ . 1]" 1
50 1 18 LEU CA 4 20 PHE HZ 6.300 5.100 8.100 6.365 5.479 6.785 . 0 0 "[ . 1]" 1
51 1 19 HIS CA 4 20 PHE HZ 7.000 4.600 11.000 4.207 4.039 4.386 0.561 6 2 "[- .+ 1]" 1
52 1 19 HIS CD2 4 20 PHE HZ 5.400 3.900 7.500 5.246 3.756 6.969 0.144 8 0 "[ . 1]" 1
53 1 21 MET CA 4 20 PHE HZ 7.500 6.500 9.000 8.792 8.726 8.977 . 0 0 "[ . 1]" 1
54 1 21 MET CB 4 20 PHE HZ 6.600 4.600 8.600 8.911 8.837 9.011 0.411 9 0 "[ . 1]" 1
55 1 22 ALA CA 4 20 PHE HZ 6.500 5.000 8.900 7.303 7.180 7.515 . 0 0 "[ . 1]" 1
56 1 22 ALA CB 4 20 PHE HZ 7.600 6.400 8.800 6.192 6.110 6.356 0.290 8 0 "[ . 1]" 1
57 1 23 TRP CG 4 20 PHE HZ 6.100 5.100 7.100 7.376 7.160 7.483 0.383 8 0 "[ . 1]" 1
58 1 23 TRP CE3 4 20 PHE HZ 16.400 8.400 24.400 9.490 8.568 10.080 . 0 0 "[ . 1]" 1
59 1 23 TRP CH2 4 20 PHE HZ 16.400 8.400 24.400 10.704 8.200 11.563 0.200 5 0 "[ . 1]" 1
60 1 23 TRP CZ3 4 20 PHE HZ 16.400 8.400 24.400 10.555 8.882 11.313 . 0 0 "[ . 1]" 1
61 1 5 PHE HZ 2 4 PRO CA 16.900 6.900 26.900 12.823 12.262 13.677 . 0 0 "[ . 1]" 1
62 1 5 PHE HZ 2 4 PRO CD 16.400 6.400 26.400 12.400 11.565 13.187 . 0 0 "[ . 1]" 1
63 1 5 PHE HZ 2 7 ILE CD1 5.500 4.500 6.500 5.744 4.967 6.633 0.133 7 0 "[ . 1]" 1
64 1 5 PHE HZ 2 7 ILE CG2 6.000 5.000 7.000 6.792 6.349 7.094 0.094 9 0 "[ . 1]" 1
65 1 5 PHE HZ 2 7 ILE CG1 5.800 4.800 6.800 5.752 4.732 6.813 0.068 5 0 "[ . 1]" 1
66 1 5 PHE HZ 2 7 ILE CB 6.000 5.000 7.000 6.052 5.265 6.817 . 0 0 "[ . 1]" 1
67 1 5 PHE HZ 2 7 ILE CA 5.900 4.400 7.400 6.525 5.771 7.241 . 0 0 "[ . 1]" 1
68 2 5 PHE HZ 3 4 PRO CA 16.900 6.900 26.900 12.847 12.372 13.577 . 0 0 "[ . 1]" 1
69 2 5 PHE HZ 3 4 PRO CD 16.400 6.400 26.400 12.420 11.642 13.056 . 0 0 "[ . 1]" 1
70 2 5 PHE HZ 3 7 ILE CD1 5.500 4.500 6.500 5.765 4.869 6.522 0.022 7 0 "[ . 1]" 1
71 2 5 PHE HZ 3 7 ILE CG2 6.000 5.000 7.000 6.727 6.197 7.090 0.090 8 0 "[ . 1]" 1
72 2 5 PHE HZ 3 7 ILE CG1 5.800 4.800 6.800 5.768 4.796 6.713 0.004 5 0 "[ . 1]" 1
73 2 5 PHE HZ 3 7 ILE CB 6.000 5.000 7.000 6.021 5.016 6.563 . 0 0 "[ . 1]" 1
74 2 5 PHE HZ 3 7 ILE CA 5.900 4.400 7.400 6.493 5.591 7.016 . 0 0 "[ . 1]" 1
75 3 5 PHE HZ 4 4 PRO CA 16.900 6.900 26.900 12.901 12.351 13.771 . 0 0 "[ . 1]" 1
76 3 5 PHE HZ 4 4 PRO CD 16.400 6.400 26.400 12.462 11.568 13.300 . 0 0 "[ . 1]" 1
77 3 5 PHE HZ 4 7 ILE CD1 5.500 4.500 6.500 5.733 5.198 6.518 0.018 10 0 "[ . 1]" 1
78 3 5 PHE HZ 4 7 ILE CG2 6.000 5.000 7.000 6.757 6.152 7.168 0.168 6 0 "[ . 1]" 1
79 3 5 PHE HZ 4 7 ILE CG1 5.800 4.800 6.800 5.753 5.012 6.876 0.076 2 0 "[ . 1]" 1
80 3 5 PHE HZ 4 7 ILE CB 6.000 5.000 7.000 6.035 4.963 6.774 0.037 7 0 "[ . 1]" 1
81 3 5 PHE HZ 4 7 ILE CA 5.900 4.400 7.400 6.520 5.557 7.247 . 0 0 "[ . 1]" 1
82 1 4 PRO CA 4 5 PHE HZ 16.900 6.900 26.900 12.819 12.297 13.400 . 0 0 "[ . 1]" 1
83 1 4 PRO CD 4 5 PHE HZ 16.400 6.400 26.400 12.370 11.534 13.246 . 0 0 "[ . 1]" 1
84 1 7 ILE CD1 4 5 PHE HZ 5.500 4.500 6.500 5.636 4.731 6.572 0.072 10 0 "[ . 1]" 1
85 1 7 ILE CG2 4 5 PHE HZ 6.000 5.000 7.000 6.666 6.206 7.087 0.087 8 0 "[ . 1]" 1
86 1 7 ILE CG1 4 5 PHE HZ 5.800 4.800 6.800 5.669 4.841 6.863 0.063 10 0 "[ . 1]" 1
87 1 7 ILE CB 4 5 PHE HZ 6.000 5.000 7.000 5.951 5.001 6.540 . 0 0 "[ . 1]" 1
88 1 7 ILE CA 4 5 PHE HZ 5.900 4.400 7.400 6.447 5.550 6.923 . 0 0 "[ . 1]" 1
89 1 23 TRP HZ3 2 23 TRP HZ3 10.500 8.500 12.500 10.123 8.993 11.126 . 0 0 "[ . 1]" 1
90 1 23 TRP HZ3 3 23 TRP HZ3 14.800 12.800 16.800 14.251 12.551 15.805 0.249 5 0 "[ . 1]" 1
91 2 23 TRP HZ3 3 23 TRP HZ3 10.500 8.500 12.500 10.115 8.707 11.128 . 0 0 "[ . 1]" 1
92 2 23 TRP HZ3 4 23 TRP HZ3 14.800 12.800 16.800 14.318 12.451 15.978 0.349 5 0 "[ . 1]" 1
93 3 23 TRP HZ3 4 23 TRP HZ3 10.500 8.500 12.500 10.061 8.825 11.026 . 0 0 "[ . 1]" 1
94 1 23 TRP HZ3 4 23 TRP HZ3 10.500 8.500 12.500 10.110 8.705 11.151 . 0 0 "[ . 1]" 1
95 1 5 PHE HZ 2 5 PHE HZ 9.400 7.400 14.400 14.050 13.061 14.359 . 0 0 "[ . 1]" 1
96 2 5 PHE HZ 3 5 PHE HZ 9.400 7.400 14.400 14.073 13.018 14.423 0.023 3 0 "[ . 1]" 1
97 3 5 PHE HZ 4 5 PHE HZ 9.400 7.400 14.400 14.133 12.807 14.419 0.019 7 0 "[ . 1]" 1
98 1 5 PHE HZ 4 5 PHE HZ 9.400 7.400 14.400 14.115 13.243 14.525 0.125 9 0 "[ . 1]" 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 152
_Distance_constraint_stats_list.Viol_count 802
_Distance_constraint_stats_list.Viol_total 451.545
_Distance_constraint_stats_list.Viol_max 0.192
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0297
_Distance_constraint_stats_list.Viol_average_violations_only 0.0563
_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 GLN 0.203 0.053 8 0 "[ . 1]"
1 7 ILE 0.397 0.067 4 0 "[ . 1]"
1 8 LEU 1.128 0.106 2 0 "[ . 1]"
1 9 SER 0.295 0.096 3 0 "[ . 1]"
1 10 ILE 0.857 0.105 8 0 "[ . 1]"
1 11 CYS 0.509 0.067 4 0 "[ . 1]"
1 12 SER 1.801 0.137 6 0 "[ . 1]"
1 13 PHE 1.347 0.159 8 0 "[ . 1]"
1 14 ILE 1.404 0.105 8 0 "[ . 1]"
1 15 LEU 1.042 0.160 4 0 "[ . 1]"
1 16 SER 0.710 0.137 6 0 "[ . 1]"
1 17 ALA 2.577 0.192 3 0 "[ . 1]"
1 18 LEU 1.193 0.087 6 0 "[ . 1]"
1 19 HIS 2.399 0.172 5 0 "[ . 1]"
1 20 PHE 0.688 0.101 8 0 "[ . 1]"
1 21 MET 2.049 0.192 3 0 "[ . 1]"
1 22 ALA 0.549 0.076 5 0 "[ . 1]"
1 23 TRP 1.659 0.172 5 0 "[ . 1]"
1 24 THR 0.899 0.101 8 0 "[ . 1]"
1 25 ILE 0.524 0.097 10 0 "[ . 1]"
1 26 GLY 0.106 0.046 9 0 "[ . 1]"
1 27 HIS 0.190 0.065 1 0 "[ . 1]"
1 28 LEU 0.248 0.087 2 0 "[ . 1]"
2 6 GLN 0.198 0.053 8 0 "[ . 1]"
2 7 ILE 0.394 0.067 4 0 "[ . 1]"
2 8 LEU 1.112 0.108 2 0 "[ . 1]"
2 9 SER 0.292 0.092 3 0 "[ . 1]"
2 10 ILE 0.855 0.106 8 0 "[ . 1]"
2 11 CYS 0.510 0.067 4 0 "[ . 1]"
2 12 SER 1.768 0.136 6 0 "[ . 1]"
2 13 PHE 1.343 0.161 8 0 "[ . 1]"
2 14 ILE 1.393 0.106 8 0 "[ . 1]"
2 15 LEU 1.022 0.156 4 0 "[ . 1]"
2 16 SER 0.707 0.136 6 0 "[ . 1]"
2 17 ALA 2.563 0.188 3 0 "[ . 1]"
2 18 LEU 1.189 0.088 9 0 "[ . 1]"
2 19 HIS 2.360 0.178 5 0 "[ . 1]"
2 20 PHE 0.691 0.097 8 0 "[ . 1]"
2 21 MET 2.018 0.188 3 0 "[ . 1]"
2 22 ALA 0.569 0.077 5 0 "[ . 1]"
2 23 TRP 1.631 0.178 5 0 "[ . 1]"
2 24 THR 0.906 0.097 8 0 "[ . 1]"
2 25 ILE 0.505 0.096 10 0 "[ . 1]"
2 26 GLY 0.116 0.051 9 0 "[ . 1]"
2 27 HIS 0.177 0.051 1 0 "[ . 1]"
2 28 LEU 0.266 0.095 2 0 "[ . 1]"
3 6 GLN 0.191 0.052 8 0 "[ . 1]"
3 7 ILE 0.397 0.068 4 0 "[ . 1]"
3 8 LEU 1.080 0.106 2 0 "[ . 1]"
3 9 SER 0.296 0.096 3 0 "[ . 1]"
3 10 ILE 0.849 0.111 8 0 "[ . 1]"
3 11 CYS 0.516 0.068 4 0 "[ . 1]"
3 12 SER 1.737 0.134 6 0 "[ . 1]"
3 13 PHE 1.339 0.159 8 0 "[ . 1]"
3 14 ILE 1.387 0.111 8 0 "[ . 1]"
3 15 LEU 1.017 0.170 4 0 "[ . 1]"
3 16 SER 0.692 0.134 6 0 "[ . 1]"
3 17 ALA 2.537 0.190 3 0 "[ . 1]"
3 18 LEU 1.183 0.086 9 0 "[ . 1]"
3 19 HIS 2.326 0.170 4 0 "[ . 1]"
3 20 PHE 0.639 0.096 8 0 "[ . 1]"
3 21 MET 2.015 0.190 3 0 "[ . 1]"
3 22 ALA 0.562 0.075 5 0 "[ . 1]"
3 23 TRP 1.599 0.169 5 0 "[ . 1]"
3 24 THR 0.856 0.096 8 0 "[ . 1]"
3 25 ILE 0.521 0.094 10 0 "[ . 1]"
3 26 GLY 0.107 0.046 9 0 "[ . 1]"
3 27 HIS 0.171 0.044 1 0 "[ . 1]"
3 28 LEU 0.252 0.094 2 0 "[ . 1]"
4 6 GLN 0.196 0.050 8 0 "[ . 1]"
4 7 ILE 0.376 0.067 3 0 "[ . 1]"
4 8 LEU 1.114 0.107 2 0 "[ . 1]"
4 9 SER 0.285 0.089 3 0 "[ . 1]"
4 10 ILE 0.857 0.107 8 0 "[ . 1]"
4 11 CYS 0.500 0.067 3 0 "[ . 1]"
4 12 SER 1.804 0.136 6 0 "[ . 1]"
4 13 PHE 1.320 0.158 8 0 "[ . 1]"
4 14 ILE 1.412 0.107 8 0 "[ . 1]"
4 15 LEU 1.046 0.159 4 0 "[ . 1]"
4 16 SER 0.723 0.136 6 0 "[ . 1]"
4 17 ALA 2.553 0.186 6 0 "[ . 1]"
4 18 LEU 1.224 0.087 9 0 "[ . 1]"
4 19 HIS 2.380 0.165 5 0 "[ . 1]"
4 20 PHE 0.677 0.104 8 0 "[ . 1]"
4 21 MET 2.053 0.186 6 0 "[ . 1]"
4 22 ALA 0.579 0.079 5 0 "[ . 1]"
4 23 TRP 1.633 0.165 5 0 "[ . 1]"
4 24 THR 0.890 0.104 8 0 "[ . 1]"
4 25 ILE 0.535 0.096 10 0 "[ . 1]"
4 26 GLY 0.105 0.049 9 0 "[ . 1]"
4 27 HIS 0.176 0.053 1 0 "[ . 1]"
4 28 LEU 0.246 0.092 2 0 "[ . 1]"
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 GLN O 1 10 ILE N 2.950 2.850 3.050 2.929 2.820 3.064 0.030 1 0 "[ . 1]" 2
2 1 7 ILE O 1 11 CYS N 2.950 2.850 3.050 3.009 2.809 3.107 0.057 6 0 "[ . 1]" 2
3 1 8 LEU O 1 12 SER N 2.950 2.850 3.050 3.095 2.883 3.156 0.106 2 0 "[ . 1]" 2
4 1 9 SER O 1 13 PHE N 2.950 2.850 3.050 2.950 2.835 3.086 0.036 3 0 "[ . 1]" 2
5 1 10 ILE O 1 14 ILE N 2.950 2.850 3.050 3.067 2.943 3.152 0.102 8 0 "[ . 1]" 2
6 1 11 CYS O 1 15 LEU N 2.950 2.850 3.050 2.894 2.835 3.054 0.015 7 0 "[ . 1]" 2
7 1 12 SER O 1 16 SER N 2.950 2.850 3.050 2.800 2.713 2.926 0.137 6 0 "[ . 1]" 2
8 1 13 PHE O 1 17 ALA N 2.950 2.850 3.050 3.074 2.915 3.139 0.089 8 0 "[ . 1]" 2
9 1 14 ILE O 1 18 LEU N 2.950 2.850 3.050 3.074 2.886 3.137 0.087 6 0 "[ . 1]" 2
10 1 15 LEU O 1 19 HIS N 2.950 2.850 3.050 2.857 2.696 3.085 0.154 10 0 "[ . 1]" 2
11 1 16 SER O 1 20 PHE N 2.950 2.850 3.050 2.992 2.872 3.060 0.010 5 0 "[ . 1]" 2
12 1 17 ALA O 1 21 MET N 2.950 2.850 3.050 3.038 2.926 3.106 0.056 8 0 "[ . 1]" 2
13 1 18 LEU O 1 22 ALA N 2.950 2.850 3.050 2.934 2.778 3.107 0.072 5 0 "[ . 1]" 2
14 1 19 HIS O 1 23 TRP N 2.950 2.850 3.050 3.089 3.042 3.173 0.123 5 0 "[ . 1]" 2
15 1 20 PHE O 1 24 THR N 2.950 2.850 3.050 2.972 2.898 3.031 . 0 0 "[ . 1]" 2
16 1 21 MET O 1 25 ILE N 2.950 2.850 3.050 3.064 3.025 3.108 0.058 8 0 "[ . 1]" 2
17 1 22 ALA O 1 26 GLY N 2.950 2.850 3.050 3.003 2.925 3.072 0.022 9 0 "[ . 1]" 2
18 1 23 TRP O 1 27 HIS N 2.950 2.850 3.050 2.973 2.817 3.073 0.033 5 0 "[ . 1]" 2
19 1 24 THR O 1 28 LEU N 2.950 2.850 3.050 3.009 2.854 3.110 0.060 2 0 "[ . 1]" 2
20 1 6 GLN O 1 10 ILE H 2.000 . 2.100 2.000 1.877 2.153 0.053 8 0 "[ . 1]" 2
21 1 7 ILE O 1 11 CYS H 2.000 . 2.100 2.079 1.895 2.167 0.067 4 0 "[ . 1]" 2
22 1 8 LEU O 1 12 SER H 2.000 . 2.100 2.131 1.917 2.200 0.100 2 0 "[ . 1]" 2
23 1 9 SER O 1 13 PHE H 2.000 . 2.100 2.073 1.930 2.196 0.096 3 0 "[ . 1]" 2
24 1 10 ILE O 1 14 ILE H 2.000 . 2.100 2.106 1.967 2.205 0.105 8 0 "[ . 1]" 2
25 1 11 CYS O 1 15 LEU H 2.000 . 2.100 1.949 1.878 2.100 0.022 2 0 "[ . 1]" 2
26 1 12 SER O 1 16 SER H 2.000 . 2.100 1.975 1.864 2.122 0.036 8 0 "[ . 1]" 2
27 1 13 PHE O 1 17 ALA H 2.000 . 2.100 2.151 1.943 2.259 0.159 8 0 "[ . 1]" 2
28 1 14 ILE O 1 18 LEU H 2.000 . 2.100 2.107 1.948 2.169 0.069 9 0 "[ . 1]" 2
29 1 15 LEU O 1 19 HIS H 2.000 . 2.100 2.073 1.910 2.260 0.160 4 0 "[ . 1]" 2
30 1 16 SER O 1 20 PHE H 2.000 . 2.100 2.060 2.007 2.124 0.024 5 0 "[ . 1]" 2
31 1 17 ALA O 1 21 MET H 2.000 . 2.100 2.228 2.042 2.292 0.192 3 0 "[ . 1]" 2
32 1 18 LEU O 1 22 ALA H 2.000 . 2.100 1.973 1.824 2.130 0.076 5 0 "[ . 1]" 2
33 1 19 HIS O 1 23 TRP H 2.000 . 2.100 2.208 2.161 2.272 0.172 5 0 "[ . 1]" 2
34 1 20 PHE O 1 24 THR H 2.000 . 2.100 2.161 2.055 2.201 0.101 8 0 "[ . 1]" 2
35 1 21 MET O 1 25 ILE H 2.000 . 2.100 2.121 2.047 2.197 0.097 10 0 "[ . 1]" 2
36 1 22 ALA O 1 26 GLY H 2.000 . 2.100 2.062 1.967 2.146 0.046 9 0 "[ . 1]" 2
37 1 23 TRP O 1 27 HIS H 2.000 . 2.100 2.069 1.953 2.165 0.065 1 0 "[ . 1]" 2
38 1 24 THR O 1 28 LEU H 2.000 . 2.100 2.091 1.946 2.187 0.087 2 0 "[ . 1]" 2
39 2 6 GLN O 2 10 ILE N 2.950 2.850 3.050 2.928 2.821 3.062 0.029 1 0 "[ . 1]" 2
40 2 7 ILE O 2 11 CYS N 2.950 2.850 3.050 3.008 2.807 3.105 0.055 6 0 "[ . 1]" 2
41 2 8 LEU O 2 12 SER N 2.950 2.850 3.050 3.095 2.885 3.158 0.108 2 0 "[ . 1]" 2
42 2 9 SER O 2 13 PHE N 2.950 2.850 3.050 2.948 2.836 3.085 0.035 3 0 "[ . 1]" 2
43 2 10 ILE O 2 14 ILE N 2.950 2.850 3.050 3.067 2.942 3.153 0.103 8 0 "[ . 1]" 2
44 2 11 CYS O 2 15 LEU N 2.950 2.850 3.050 2.893 2.832 3.048 0.018 7 0 "[ . 1]" 2
45 2 12 SER O 2 16 SER N 2.950 2.850 3.050 2.800 2.714 2.925 0.136 6 0 "[ . 1]" 2
46 2 13 PHE O 2 17 ALA N 2.950 2.850 3.050 3.074 2.917 3.142 0.092 8 0 "[ . 1]" 2
47 2 14 ILE O 2 18 LEU N 2.950 2.850 3.050 3.073 2.885 3.138 0.088 9 0 "[ . 1]" 2
48 2 15 LEU O 2 19 HIS N 2.950 2.850 3.050 2.857 2.697 3.075 0.153 10 0 "[ . 1]" 2
49 2 16 SER O 2 20 PHE N 2.950 2.850 3.050 2.992 2.871 3.063 0.013 5 0 "[ . 1]" 2
50 2 17 ALA O 2 21 MET N 2.950 2.850 3.050 3.038 2.925 3.107 0.057 8 0 "[ . 1]" 2
51 2 18 LEU O 2 22 ALA N 2.950 2.850 3.050 2.933 2.778 3.109 0.072 5 0 "[ . 1]" 2
52 2 19 HIS O 2 23 TRP N 2.950 2.850 3.050 3.088 3.042 3.177 0.127 5 0 "[ . 1]" 2
53 2 20 PHE O 2 24 THR N 2.950 2.850 3.050 2.972 2.896 3.029 . 0 0 "[ . 1]" 2
54 2 21 MET O 2 25 ILE N 2.950 2.850 3.050 3.063 3.025 3.106 0.056 10 0 "[ . 1]" 2
55 2 22 ALA O 2 26 GLY N 2.950 2.850 3.050 3.005 2.924 3.074 0.024 9 0 "[ . 1]" 2
56 2 23 TRP O 2 27 HIS N 2.950 2.850 3.050 2.974 2.825 3.076 0.026 6 0 "[ . 1]" 2
57 2 24 THR O 2 28 LEU N 2.950 2.850 3.050 3.009 2.847 3.115 0.065 2 0 "[ . 1]" 2
58 2 6 GLN O 2 10 ILE H 2.000 . 2.100 2.000 1.877 2.153 0.053 8 0 "[ . 1]" 2
59 2 7 ILE O 2 11 CYS H 2.000 . 2.100 2.078 1.892 2.167 0.067 4 0 "[ . 1]" 2
60 2 8 LEU O 2 12 SER H 2.000 . 2.100 2.132 1.921 2.203 0.103 2 0 "[ . 1]" 2
61 2 9 SER O 2 13 PHE H 2.000 . 2.100 2.072 1.936 2.192 0.092 3 0 "[ . 1]" 2
62 2 10 ILE O 2 14 ILE H 2.000 . 2.100 2.106 1.966 2.206 0.106 8 0 "[ . 1]" 2
63 2 11 CYS O 2 15 LEU H 2.000 . 2.100 1.948 1.878 2.092 0.022 2 0 "[ . 1]" 2
64 2 12 SER O 2 16 SER H 2.000 . 2.100 1.976 1.867 2.106 0.033 8 0 "[ . 1]" 2
65 2 13 PHE O 2 17 ALA H 2.000 . 2.100 2.150 1.947 2.261 0.161 8 0 "[ . 1]" 2
66 2 14 ILE O 2 18 LEU H 2.000 . 2.100 2.106 1.947 2.171 0.071 9 0 "[ . 1]" 2
67 2 15 LEU O 2 19 HIS H 2.000 . 2.100 2.073 1.910 2.256 0.156 4 0 "[ . 1]" 2
68 2 16 SER O 2 20 PHE H 2.000 . 2.100 2.059 2.001 2.134 0.034 5 0 "[ . 1]" 2
69 2 17 ALA O 2 21 MET H 2.000 . 2.100 2.227 2.041 2.288 0.188 3 0 "[ . 1]" 2
70 2 18 LEU O 2 22 ALA H 2.000 . 2.100 1.973 1.823 2.130 0.077 5 0 "[ . 1]" 2
71 2 19 HIS O 2 23 TRP H 2.000 . 2.100 2.207 2.162 2.278 0.178 5 0 "[ . 1]" 2
72 2 20 PHE O 2 24 THR H 2.000 . 2.100 2.159 2.052 2.197 0.097 8 0 "[ . 1]" 2
73 2 21 MET O 2 25 ILE H 2.000 . 2.100 2.120 2.048 2.196 0.096 10 0 "[ . 1]" 2
74 2 22 ALA O 2 26 GLY H 2.000 . 2.100 2.064 1.967 2.151 0.051 9 0 "[ . 1]" 2
75 2 23 TRP O 2 27 HIS H 2.000 . 2.100 2.069 1.967 2.151 0.051 1 0 "[ . 1]" 2
76 2 24 THR O 2 28 LEU H 2.000 . 2.100 2.091 1.930 2.195 0.095 2 0 "[ . 1]" 2
77 3 6 GLN O 3 10 ILE N 2.950 2.850 3.050 2.928 2.822 3.063 0.028 1 0 "[ . 1]" 2
78 3 7 ILE O 3 11 CYS N 2.950 2.850 3.050 3.008 2.808 3.107 0.057 6 0 "[ . 1]" 2
79 3 8 LEU O 3 12 SER N 2.950 2.850 3.050 3.093 2.881 3.156 0.106 2 0 "[ . 1]" 2
80 3 9 SER O 3 13 PHE N 2.950 2.850 3.050 2.949 2.833 3.087 0.037 3 0 "[ . 1]" 2
81 3 10 ILE O 3 14 ILE N 2.950 2.850 3.050 3.068 2.943 3.157 0.107 8 0 "[ . 1]" 2
82 3 11 CYS O 3 15 LEU N 2.950 2.850 3.050 2.893 2.832 3.052 0.018 1 0 "[ . 1]" 2
83 3 12 SER O 3 16 SER N 2.950 2.850 3.050 2.799 2.716 2.925 0.134 6 0 "[ . 1]" 2
84 3 13 PHE O 3 17 ALA N 2.950 2.850 3.050 3.073 2.912 3.139 0.089 8 0 "[ . 1]" 2
85 3 14 ILE O 3 18 LEU N 2.950 2.850 3.050 3.073 2.887 3.136 0.086 9 0 "[ . 1]" 2
86 3 15 LEU O 3 19 HIS N 2.950 2.850 3.050 2.854 2.697 3.068 0.153 10 0 "[ . 1]" 2
87 3 16 SER O 3 20 PHE N 2.950 2.850 3.050 2.991 2.872 3.059 0.009 5 0 "[ . 1]" 2
88 3 17 ALA O 3 21 MET N 2.950 2.850 3.050 3.037 2.924 3.107 0.057 8 0 "[ . 1]" 2
89 3 18 LEU O 3 22 ALA N 2.950 2.850 3.050 2.933 2.778 3.113 0.072 5 0 "[ . 1]" 2
90 3 19 HIS O 3 23 TRP N 2.950 2.850 3.050 3.087 3.048 3.170 0.120 5 0 "[ . 1]" 2
91 3 20 PHE O 3 24 THR N 2.950 2.850 3.050 2.971 2.900 3.030 . 0 0 "[ . 1]" 2
92 3 21 MET O 3 25 ILE N 2.950 2.850 3.050 3.064 3.026 3.111 0.061 8 0 "[ . 1]" 2
93 3 22 ALA O 3 26 GLY N 2.950 2.850 3.050 3.003 2.924 3.074 0.024 9 0 "[ . 1]" 2
94 3 23 TRP O 3 27 HIS N 2.950 2.850 3.050 2.972 2.815 3.071 0.035 5 0 "[ . 1]" 2
95 3 24 THR O 3 28 LEU N 2.950 2.850 3.050 3.008 2.847 3.115 0.065 2 0 "[ . 1]" 2
96 3 6 GLN O 3 10 ILE H 2.000 . 2.100 2.000 1.879 2.152 0.052 8 0 "[ . 1]" 2
97 3 7 ILE O 3 11 CYS H 2.000 . 2.100 2.079 1.895 2.168 0.068 4 0 "[ . 1]" 2
98 3 8 LEU O 3 12 SER H 2.000 . 2.100 2.129 1.916 2.200 0.100 2 0 "[ . 1]" 2
99 3 9 SER O 3 13 PHE H 2.000 . 2.100 2.070 1.928 2.196 0.096 3 0 "[ . 1]" 2
100 3 10 ILE O 3 14 ILE H 2.000 . 2.100 2.107 1.969 2.211 0.111 8 0 "[ . 1]" 2
101 3 11 CYS O 3 15 LEU H 2.000 . 2.100 1.948 1.875 2.097 0.025 1 0 "[ . 1]" 2
102 3 12 SER O 3 16 SER H 2.000 . 2.100 1.972 1.867 2.098 0.033 8 0 "[ . 1]" 2
103 3 13 PHE O 3 17 ALA H 2.000 . 2.100 2.149 1.940 2.259 0.159 8 0 "[ . 1]" 2
104 3 14 ILE O 3 18 LEU H 2.000 . 2.100 2.107 1.949 2.170 0.070 9 0 "[ . 1]" 2
105 3 15 LEU O 3 19 HIS H 2.000 . 2.100 2.070 1.915 2.270 0.170 4 0 "[ . 1]" 2
106 3 16 SER O 3 20 PHE H 2.000 . 2.100 2.057 2.002 2.123 0.023 5 0 "[ . 1]" 2
107 3 17 ALA O 3 21 MET H 2.000 . 2.100 2.225 2.042 2.290 0.190 3 0 "[ . 1]" 2
108 3 18 LEU O 3 22 ALA H 2.000 . 2.100 1.973 1.825 2.136 0.075 5 0 "[ . 1]" 2
109 3 19 HIS O 3 23 TRP H 2.000 . 2.100 2.205 2.162 2.269 0.169 5 0 "[ . 1]" 2
110 3 20 PHE O 3 24 THR H 2.000 . 2.100 2.156 2.055 2.196 0.096 8 0 "[ . 1]" 2
111 3 21 MET O 3 25 ILE H 2.000 . 2.100 2.120 2.046 2.194 0.094 10 0 "[ . 1]" 2
112 3 22 ALA O 3 26 GLY H 2.000 . 2.100 2.062 1.967 2.146 0.046 9 0 "[ . 1]" 2
113 3 23 TRP O 3 27 HIS H 2.000 . 2.100 2.065 1.950 2.144 0.044 1 0 "[ . 1]" 2
114 3 24 THR O 3 28 LEU H 2.000 . 2.100 2.088 1.928 2.194 0.094 2 0 "[ . 1]" 2
115 4 6 GLN O 4 10 ILE N 2.950 2.850 3.050 2.928 2.822 3.064 0.028 7 0 "[ . 1]" 2
116 4 7 ILE O 4 11 CYS N 2.950 2.850 3.050 3.010 2.820 3.107 0.057 6 0 "[ . 1]" 2
117 4 8 LEU O 4 12 SER N 2.950 2.850 3.050 3.094 2.875 3.157 0.107 2 0 "[ . 1]" 2
118 4 9 SER O 4 13 PHE N 2.950 2.850 3.050 2.949 2.838 3.083 0.033 3 0 "[ . 1]" 2
119 4 10 ILE O 4 14 ILE N 2.950 2.850 3.050 3.067 2.943 3.153 0.103 8 0 "[ . 1]" 2
120 4 11 CYS O 4 15 LEU N 2.950 2.850 3.050 2.893 2.831 3.055 0.019 7 0 "[ . 1]" 2
121 4 12 SER O 4 16 SER N 2.950 2.850 3.050 2.798 2.714 2.922 0.136 6 0 "[ . 1]" 2
122 4 13 PHE O 4 17 ALA N 2.950 2.850 3.050 3.073 2.914 3.135 0.085 8 0 "[ . 1]" 2
123 4 14 ILE O 4 18 LEU N 2.950 2.850 3.050 3.075 2.885 3.137 0.087 9 0 "[ . 1]" 2
124 4 15 LEU O 4 19 HIS N 2.950 2.850 3.050 2.854 2.694 3.077 0.156 10 0 "[ . 1]" 2
125 4 16 SER O 4 20 PHE N 2.950 2.850 3.050 2.993 2.874 3.059 0.009 5 0 "[ . 1]" 2
126 4 17 ALA O 4 21 MET N 2.950 2.850 3.050 3.038 2.925 3.108 0.058 8 0 "[ . 1]" 2
127 4 18 LEU O 4 22 ALA N 2.950 2.850 3.050 2.934 2.775 3.110 0.075 5 0 "[ . 1]" 2
128 4 19 HIS O 4 23 TRP N 2.950 2.850 3.050 3.089 3.051 3.168 0.118 5 0 "[ . 1]" 2
129 4 20 PHE O 4 24 THR N 2.950 2.850 3.050 2.972 2.897 3.031 . 0 0 "[ . 1]" 2
130 4 21 MET O 4 25 ILE N 2.950 2.850 3.050 3.064 3.028 3.115 0.065 8 0 "[ . 1]" 2
131 4 22 ALA O 4 26 GLY N 2.950 2.850 3.050 3.002 2.924 3.074 0.024 9 0 "[ . 1]" 2
132 4 23 TRP O 4 27 HIS N 2.950 2.850 3.050 2.972 2.813 3.072 0.037 5 0 "[ . 1]" 2
133 4 24 THR O 4 28 LEU N 2.950 2.850 3.050 3.008 2.851 3.112 0.062 2 0 "[ . 1]" 2
134 4 6 GLN O 4 10 ILE H 2.000 . 2.100 2.000 1.881 2.150 0.050 8 0 "[ . 1]" 2
135 4 7 ILE O 4 11 CYS H 2.000 . 2.100 2.080 1.902 2.167 0.067 3 0 "[ . 1]" 2
136 4 8 LEU O 4 12 SER H 2.000 . 2.100 2.129 1.903 2.202 0.102 2 0 "[ . 1]" 2
137 4 9 SER O 4 13 PHE H 2.000 . 2.100 2.072 1.938 2.189 0.089 3 0 "[ . 1]" 2
138 4 10 ILE O 4 14 ILE H 2.000 . 2.100 2.107 1.967 2.207 0.107 8 0 "[ . 1]" 2
139 4 11 CYS O 4 15 LEU H 2.000 . 2.100 1.948 1.878 2.100 0.022 1 0 "[ . 1]" 2
140 4 12 SER O 4 16 SER H 2.000 . 2.100 1.971 1.858 2.109 0.042 8 0 "[ . 1]" 2
141 4 13 PHE O 4 17 ALA H 2.000 . 2.100 2.149 1.943 2.258 0.158 8 0 "[ . 1]" 2
142 4 14 ILE O 4 18 LEU H 2.000 . 2.100 2.109 1.946 2.170 0.070 9 0 "[ . 1]" 2
143 4 15 LEU O 4 19 HIS H 2.000 . 2.100 2.071 1.915 2.259 0.159 4 0 "[ . 1]" 2
144 4 16 SER O 4 20 PHE H 2.000 . 2.100 2.059 2.006 2.121 0.021 5 0 "[ . 1]" 2
145 4 17 ALA O 4 21 MET H 2.000 . 2.100 2.227 2.043 2.286 0.186 6 0 "[ . 1]" 2
146 4 18 LEU O 4 22 ALA H 2.000 . 2.100 1.973 1.821 2.132 0.079 5 0 "[ . 1]" 2
147 4 19 HIS O 4 23 TRP H 2.000 . 2.100 2.207 2.158 2.265 0.165 5 0 "[ . 1]" 2
148 4 20 PHE O 4 24 THR H 2.000 . 2.100 2.160 2.051 2.204 0.104 8 0 "[ . 1]" 2
149 4 21 MET O 4 25 ILE H 2.000 . 2.100 2.122 2.050 2.196 0.096 10 0 "[ . 1]" 2
150 4 22 ALA O 4 26 GLY H 2.000 . 2.100 2.061 1.965 2.149 0.049 9 0 "[ . 1]" 2
151 4 23 TRP O 4 27 HIS H 2.000 . 2.100 2.067 1.944 2.153 0.053 1 0 "[ . 1]" 2
152 4 24 THR O 4 28 LEU H 2.000 . 2.100 2.090 1.940 2.192 0.092 2 0 "[ . 1]" 2
stop_
save_
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