NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
656125 |
6x1k   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6x1k
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 81
_Distance_constraint_stats_list.Viol_count 379
_Distance_constraint_stats_list.Viol_total 468.781
_Distance_constraint_stats_list.Viol_max 0.389
_Distance_constraint_stats_list.Viol_rms 0.0606
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_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 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.069 0.016 4 0 "[ . 1 . 2]"
1 8 LEU 0.279 0.025 3 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.308 0.028 6 0 "[ . 1 . 2]"
1 11 PHE 0.060 0.011 4 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 7.088 0.357 6 0 "[ . 1 . 2]"
1 14 ALA 7.144 0.357 6 0 "[ . 1 . 2]"
1 15 GLY 0.111 0.019 19 0 "[ . 1 . 2]"
1 16 TRP 0.041 0.023 12 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.078 0.021 20 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.111 0.019 19 0 "[ . 1 . 2]"
1 24 ILE 0.025 0.014 4 0 "[ . 1 . 2]"
1 25 THR 0.086 0.015 9 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.060 0.011 4 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.086 0.017 10 0 "[ . 1 . 2]"
1 31 GLN 0.119 0.017 13 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.006 0.002 16 0 "[ . 1 . 2]"
1 35 TYR 0.012 0.012 15 0 "[ . 1 . 2]"
1 36 ILE 0.017 0.012 15 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.086 0.017 10 0 "[ . 1 . 2]"
1 39 LYS 0.084 0.014 15 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.055 0.014 9 0 "[ . 1 . 2]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.002 0.002 20 0 "[ . 1 . 2]"
1 44 TRP 0.025 0.014 4 0 "[ . 1 . 2]"
1 50 ASN 0.137 0.090 19 0 "[ . 1 . 2]"
1 51 ARG 0.002 0.002 20 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.055 0.014 9 0 "[ . 1 . 2]"
1 54 PHE 0.060 0.031 19 0 "[ . 1 . 2]"
1 55 GLY 0.084 0.014 15 0 "[ . 1 . 2]"
1 56 GLY 0.005 0.005 9 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 1.510 0.213 9 0 "[ . 1 . 2]"
1 62 VAL 0.242 0.042 7 0 "[ . 1 . 2]"
1 63 THR 4.019 0.224 20 0 "[ . 1 . 2]"
1 65 ASP 3.606 0.224 20 0 "[ . 1 . 2]"
1 66 LEU 1.681 0.213 9 0 "[ . 1 . 2]"
1 67 GLU 0.275 0.073 4 0 "[ . 1 . 2]"
1 69 TYR 0.026 0.012 12 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TRP 0.289 0.053 3 0 "[ . 1 . 2]"
1 72 ALA 0.005 0.005 9 0 "[ . 1 . 2]"
1 73 GLY 0.168 0.043 14 0 "[ . 1 . 2]"
1 74 ALA 0.060 0.031 19 0 "[ . 1 . 2]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.325 0.090 19 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.188 0.031 19 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.168 0.043 14 0 "[ . 1 . 2]"
1 86 ALA 0.133 0.027 14 0 "[ . 1 . 2]"
1 87 GLY 0.068 0.017 16 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.247 0.053 3 0 "[ . 1 . 2]"
1 90 PHE 0.004 0.004 19 0 "[ . 1 . 2]"
1 91 ARG 0.275 0.073 4 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.022 0.022 10 0 "[ . 1 . 2]"
1 95 SER 0.022 0.022 10 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 7.612 0.389 15 0 "[ . 1 . 2]"
1 103 GLU 8.074 0.389 15 0 "[ . 1 . 2]"
1 104 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.030 0.021 19 0 "[ . 1 . 2]"
1 106 TRP 0.133 0.027 14 0 "[ . 1 . 2]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLN 0.078 0.021 20 0 "[ . 1 . 2]"
1 113 PHE 0.030 0.021 19 0 "[ . 1 . 2]"
1 114 LEU 0.041 0.023 12 0 "[ . 1 . 2]"
1 115 GLN 0.466 0.053 4 0 "[ . 1 . 2]"
1 116 ALA 0.143 0.020 6 0 "[ . 1 . 2]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 TYR 0.308 0.028 6 0 "[ . 1 . 2]"
1 122 ILE 0.240 0.052 15 0 "[ . 1 . 2]"
1 123 GLN 0.094 0.052 15 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 6 GLY H 1 7 THR H 1.800 . 3.500 2.226 2.113 2.414 . 0 0 "[ . 1 . 2]" 1
2 1 10 VAL H 1 11 PHE H 1.800 . 6.000 4.485 4.406 4.536 . 0 0 "[ . 1 . 2]" 1
3 1 13 ALA H 1 14 ALA H 1.800 . 3.500 3.850 3.842 3.857 0.357 6 0 "[ . 1 . 2]" 1
4 1 14 ALA H 1 15 GLY H 1.800 . 6.000 4.403 4.290 4.534 . 0 0 "[ . 1 . 2]" 1
5 1 17 ASN H 1 20 ASN H 1.800 . 5.000 4.428 3.997 4.800 . 0 0 "[ . 1 . 2]" 1
6 1 7 THR H 1 31 GLN H 1.800 . 3.500 3.449 3.252 3.516 0.016 4 0 "[ . 1 . 2]" 1
7 1 9 ASP H 1 29 THR H 1.800 . 3.500 2.834 2.541 3.136 . 0 0 "[ . 1 . 2]" 1
8 1 11 PHE H 1 27 GLY H 1.800 . 3.500 3.458 3.331 3.511 0.011 4 0 "[ . 1 . 2]" 1
9 1 13 ALA H 1 25 THR H 1.800 . 3.500 3.487 3.330 3.515 0.015 9 0 "[ . 1 . 2]" 1
10 1 15 GLY H 1 23 GLU H 1.800 . 3.500 3.450 3.194 3.519 0.019 19 0 "[ . 1 . 2]" 1
11 1 17 ASN H 1 21 THR H 1.800 . 3.500 2.899 2.353 3.255 . 0 0 "[ . 1 . 2]" 1
12 1 18 THR H 1 20 ASN H 1.800 . 5.000 4.343 4.134 4.469 . 0 0 "[ . 1 . 2]" 1
13 1 8 LEU H 1 31 GLN H 1.800 . 5.000 4.937 4.791 5.017 0.017 13 0 "[ . 1 . 2]" 1
14 1 19 ASP H 1 20 ASN H 1.800 . 3.500 2.745 2.653 2.812 . 0 0 "[ . 1 . 2]" 1
15 1 19 ASP H 1 21 THR H 1.800 . 5.000 3.847 3.380 4.395 . 0 0 "[ . 1 . 2]" 1
16 1 20 ASN H 1 21 THR H 1.800 . 3.500 2.654 2.477 2.949 . 0 0 "[ . 1 . 2]" 1
17 1 22 ILE H 1 23 GLU H 1.800 . 5.000 4.494 4.330 4.571 . 0 0 "[ . 1 . 2]" 1
18 1 24 ILE H 1 25 THR H 1.800 . 5.000 4.419 4.248 4.530 . 0 0 "[ . 1 . 2]" 1
19 1 32 LEU H 1 33 SER H 1.800 . 3.500 2.242 1.823 3.017 . 0 0 "[ . 1 . 2]" 1
20 1 24 ILE H 1 44 TRP H 1.800 . 3.500 3.323 2.956 3.514 0.014 4 0 "[ . 1 . 2]" 1
21 1 26 GLY H 1 42 TYR H 1.800 . 3.500 3.125 2.875 3.422 . 0 0 "[ . 1 . 2]" 1
22 1 28 ALA H 1 40 ALA H 1.800 . 5.000 3.629 2.958 4.222 . 0 0 "[ . 1 . 2]" 1
23 1 30 TYR H 1 38 VAL H 1.800 . 3.500 3.450 2.729 3.517 0.017 10 0 "[ . 1 . 2]" 1
24 1 33 SER H 1 36 ILE H 1.800 . 5.000 4.535 4.021 5.002 0.002 16 0 "[ . 1 . 2]" 1
25 1 35 TYR H 1 36 ILE H 1.800 . 3.500 2.941 1.788 3.495 0.012 15 0 "[ . 1 . 2]" 1
26 1 37 MET H 1 57 GLY H 1.800 . 3.500 3.043 2.699 3.429 . 0 0 "[ . 1 . 2]" 1
27 1 39 LYS H 1 55 GLY H 1.800 . 3.500 3.493 3.392 3.514 0.014 15 0 "[ . 1 . 2]" 1
28 1 41 GLY H 1 53 GLU H 1.800 . 3.500 3.442 3.264 3.514 0.014 9 0 "[ . 1 . 2]" 1
29 1 43 GLY H 1 51 ARG H 1.800 . 3.500 3.205 2.903 3.502 0.002 20 0 "[ . 1 . 2]" 1
30 1 56 GLY H 1 57 GLY H 1.800 . 5.000 4.400 4.366 4.432 . 0 0 "[ . 1 . 2]" 1
31 1 59 GLN H 1 60 TYR H 1.800 . 5.000 4.430 4.402 4.502 . 0 0 "[ . 1 . 2]" 1
32 1 62 VAL H 1 63 THR H 1.800 . 3.500 1.820 1.758 2.013 0.042 7 0 "[ . 1 . 2]" 1
33 1 60 TYR H 1 66 LEU H 1.800 . 6.000 6.074 5.968 6.213 0.213 9 0 "[ . 1 . 2]" 1
34 1 52 PHE H 1 76 TYR H 1.800 . 5.000 3.120 2.492 3.918 . 0 0 "[ . 1 . 2]" 1
35 1 54 PHE H 1 74 ALA H 1.800 . 3.500 3.408 2.984 3.531 0.031 19 0 "[ . 1 . 2]" 1
36 1 56 GLY H 1 72 ALA H 1.800 . 3.500 3.061 2.724 3.505 0.005 9 0 "[ . 1 . 2]" 1
37 1 58 LEU H 1 70 ALA H 1.800 . 3.500 2.475 2.190 2.903 . 0 0 "[ . 1 . 2]" 1
38 1 62 VAL H 1 66 LEU H 1.800 . 5.000 4.132 3.936 4.436 . 0 0 "[ . 1 . 2]" 1
39 1 63 THR H 1 65 ASP H 1.800 . 3.500 3.680 3.617 3.724 0.224 20 0 "[ . 1 . 2]" 1
40 1 50 ASN H 1 79 ASP H 1.800 . 5.000 4.981 4.697 5.090 0.090 19 0 "[ . 1 . 2]" 1
41 1 63 THR H 1 66 LEU H 1.800 . 3.500 3.306 3.083 3.586 0.086 3 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 122 ILE H 1.800 . 5.000 4.994 4.685 5.022 0.022 5 0 "[ . 1 . 2]" 1
43 1 10 VAL H 1 120 TYR H 1.800 . 3.500 3.505 3.288 3.528 0.028 6 0 "[ . 1 . 2]" 1
44 1 12 VAL H 1 118 LEU H 1.800 . 3.500 3.069 2.567 3.472 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA H 1 116 ALA H 1.800 . 3.500 3.495 3.405 3.520 0.020 6 0 "[ . 1 . 2]" 1
46 1 16 TRP H 1 114 LEU H 1.800 . 3.500 3.203 2.881 3.523 0.023 12 0 "[ . 1 . 2]" 1
47 1 18 THR H 1 112 GLN H 1.800 . 5.000 4.921 4.440 5.021 0.021 20 0 "[ . 1 . 2]" 1
48 1 8 LEU H 1 123 GLN H 1.800 . 5.000 4.748 4.297 5.025 0.025 3 0 "[ . 1 . 2]" 1
49 1 65 ASP H 1 66 LEU H 1.800 . 3.500 2.734 2.548 3.127 . 0 0 "[ . 1 . 2]" 1
50 1 78 THR H 1 79 ASP H 1.800 . 3.500 2.754 2.664 2.806 . 0 0 "[ . 1 . 2]" 1
51 1 67 GLU H 1 91 ARG H 1.800 . 3.500 3.467 3.118 3.573 0.073 4 0 "[ . 1 . 2]" 1
52 1 69 TYR H 1 89 GLY H 1.800 . 3.500 3.272 2.670 3.512 0.012 12 0 "[ . 1 . 2]" 1
53 1 71 TRP H 1 87 GLY H 1.800 . 3.500 3.463 3.246 3.517 0.017 16 0 "[ . 1 . 2]" 1
54 1 73 GLY H 1 85 ALA H 1.800 . 3.500 3.499 3.372 3.543 0.043 14 0 "[ . 1 . 2]" 1
55 1 75 THR H 1 83 VAL H 1.800 . 3.500 2.886 2.476 3.270 . 0 0 "[ . 1 . 2]" 1
56 1 77 ASN H 1 81 THR H 1.800 . 3.500 3.123 2.517 3.449 . 0 0 "[ . 1 . 2]" 1
57 1 79 ASP H 1 80 ASN H 1.800 . 3.500 2.875 2.660 3.026 . 0 0 "[ . 1 . 2]" 1
58 1 71 TRP H 1 89 GLY H 1.800 . 5.000 4.987 4.668 5.053 0.053 3 0 "[ . 1 . 2]" 1
59 1 79 ASP H 1 81 THR H 1.800 . 3.500 3.504 3.449 3.531 0.031 19 0 "[ . 1 . 2]" 1
60 1 80 ASN H 1 81 THR H 1.800 . 3.500 2.709 2.565 2.828 . 0 0 "[ . 1 . 2]" 1
61 1 86 ALA H 1 87 GLY H 1.800 . 5.000 4.336 4.148 4.443 . 0 0 "[ . 1 . 2]" 1
62 1 94 VAL H 1 95 SER H 1.800 . 3.500 2.177 1.778 2.939 0.022 10 0 "[ . 1 . 2]" 1
63 1 86 ALA H 1 106 TRP H 1.800 . 3.500 3.483 3.276 3.527 0.027 14 0 "[ . 1 . 2]" 1
64 1 88 ALA H 1 104 TYR H 1.800 . 3.500 3.059 2.737 3.369 . 0 0 "[ . 1 . 2]" 1
65 1 90 PHE H 1 102 VAL H 1.800 . 3.500 3.018 2.696 3.504 0.004 19 0 "[ . 1 . 2]" 1
66 1 92 TYR H 1 100 LEU H 1.800 . 5.000 4.103 3.570 4.457 . 0 0 "[ . 1 . 2]" 1
67 1 94 VAL H 1 98 VAL H 1.800 . 6.000 5.518 4.920 5.943 . 0 0 "[ . 1 . 2]" 1
68 1 95 SER H 1 98 VAL H 1.800 . 5.000 3.819 3.343 4.457 . 0 0 "[ . 1 . 2]" 1
69 1 97 GLU H 1 98 VAL H 1.800 . 3.500 2.020 1.830 2.370 . 0 0 "[ . 1 . 2]" 1
70 1 100 LEU H 1 101 VAL H 1.800 . 5.000 4.515 4.444 4.577 . 0 0 "[ . 1 . 2]" 1
71 1 102 VAL H 1 103 GLU H 1.800 . 3.500 3.880 3.873 3.889 0.389 15 0 "[ . 1 . 2]" 1
72 1 107 ASN H 1 108 ASN H 1.800 . 5.000 4.329 4.023 4.447 . 0 0 "[ . 1 . 2]" 1
73 1 108 ASN H 1 109 SER H 1.800 . 5.000 4.173 2.923 4.649 . 0 0 "[ . 1 . 2]" 1
74 1 99 LYS H 1 119 SER H 1.800 . 3.500 2.756 2.412 3.136 . 0 0 "[ . 1 . 2]" 1
75 1 101 VAL H 1 117 GLY H 1.800 . 3.500 3.257 3.065 3.467 . 0 0 "[ . 1 . 2]" 1
76 1 103 GLU H 1 115 GLN H 1.800 . 3.500 3.523 3.504 3.553 0.053 4 0 "[ . 1 . 2]" 1
77 1 105 GLY H 1 113 PHE H 1.800 . 3.500 3.297 2.887 3.521 0.021 19 0 "[ . 1 . 2]" 1
78 1 115 GLN H 1 116 ALA H 1.800 . 5.000 4.329 4.200 4.463 . 0 0 "[ . 1 . 2]" 1
79 1 117 GLY H 1 118 LEU H 1.800 . 5.000 4.343 4.293 4.473 . 0 0 "[ . 1 . 2]" 1
80 1 119 SER H 1 120 TYR H 1.800 . 5.000 4.488 4.424 4.563 . 0 0 "[ . 1 . 2]" 1
81 1 122 ILE H 1 123 GLN H 1.800 . 3.500 2.581 2.092 3.552 0.052 15 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 144
_Distance_constraint_stats_list.Viol_count 545
_Distance_constraint_stats_list.Viol_total 150.640
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 7 THR 0.137 0.016 12 0 "[ . 1 . 2]"
1 9 ASP 0.083 0.015 13 0 "[ . 1 . 2]"
1 10 VAL 0.064 0.029 12 0 "[ . 1 . 2]"
1 11 PHE 0.078 0.013 16 0 "[ . 1 . 2]"
1 12 VAL 0.926 0.073 6 0 "[ . 1 . 2]"
1 13 ALA 0.031 0.014 2 0 "[ . 1 . 2]"
1 14 ALA 0.073 0.013 17 0 "[ . 1 . 2]"
1 15 GLY 0.026 0.011 19 0 "[ . 1 . 2]"
1 16 TRP 0.397 0.038 17 0 "[ . 1 . 2]"
1 17 ASN 0.136 0.017 10 0 "[ . 1 . 2]"
1 21 THR 0.136 0.017 10 0 "[ . 1 . 2]"
1 23 GLU 0.026 0.011 19 0 "[ . 1 . 2]"
1 24 ILE 0.093 0.013 8 0 "[ . 1 . 2]"
1 25 THR 0.031 0.014 2 0 "[ . 1 . 2]"
1 26 GLY 0.088 0.018 16 0 "[ . 1 . 2]"
1 27 GLY 0.078 0.013 16 0 "[ . 1 . 2]"
1 28 ALA 0.141 0.019 9 0 "[ . 1 . 2]"
1 29 THR 0.083 0.015 13 0 "[ . 1 . 2]"
1 30 TYR 0.092 0.019 20 0 "[ . 1 . 2]"
1 31 GLN 0.137 0.016 12 0 "[ . 1 . 2]"
1 37 MET 0.130 0.023 3 0 "[ . 1 . 2]"
1 38 VAL 0.092 0.019 20 0 "[ . 1 . 2]"
1 39 LYS 0.029 0.009 12 0 "[ . 1 . 2]"
1 40 ALA 0.141 0.019 9 0 "[ . 1 . 2]"
1 41 GLY 0.099 0.014 1 0 "[ . 1 . 2]"
1 42 TYR 0.088 0.018 16 0 "[ . 1 . 2]"
1 43 GLY 0.121 0.017 19 0 "[ . 1 . 2]"
1 44 TRP 0.093 0.013 8 0 "[ . 1 . 2]"
1 51 ARG 0.121 0.017 19 0 "[ . 1 . 2]"
1 52 PHE 0.036 0.011 17 0 "[ . 1 . 2]"
1 53 GLU 0.099 0.014 1 0 "[ . 1 . 2]"
1 54 PHE 0.161 0.015 16 0 "[ . 1 . 2]"
1 55 GLY 0.029 0.009 12 0 "[ . 1 . 2]"
1 56 GLY 0.248 0.049 3 0 "[ . 1 . 2]"
1 57 GLY 0.130 0.023 3 0 "[ . 1 . 2]"
1 58 LEU 1.368 0.150 4 0 "[ . 1 . 2]"
1 67 GLU 0.766 0.072 8 0 "[ . 1 . 2]"
1 69 TYR 0.085 0.028 3 0 "[ . 1 . 2]"
1 70 ALA 1.368 0.150 4 0 "[ . 1 . 2]"
1 71 TRP 0.033 0.011 9 0 "[ . 1 . 2]"
1 72 ALA 0.248 0.049 3 0 "[ . 1 . 2]"
1 73 GLY 0.038 0.024 19 0 "[ . 1 . 2]"
1 74 ALA 0.161 0.015 16 0 "[ . 1 . 2]"
1 75 THR 0.087 0.029 14 0 "[ . 1 . 2]"
1 76 TYR 0.036 0.011 17 0 "[ . 1 . 2]"
1 77 ASN 0.428 0.051 17 0 "[ . 1 . 2]"
1 81 THR 0.428 0.051 17 0 "[ . 1 . 2]"
1 83 VAL 0.087 0.029 14 0 "[ . 1 . 2]"
1 85 ALA 0.038 0.024 19 0 "[ . 1 . 2]"
1 86 ALA 0.079 0.016 16 0 "[ . 1 . 2]"
1 87 GLY 0.033 0.011 9 0 "[ . 1 . 2]"
1 88 ALA 0.265 0.032 9 0 "[ . 1 . 2]"
1 89 GLY 0.085 0.028 3 0 "[ . 1 . 2]"
1 90 PHE 0.484 0.047 16 0 "[ . 1 . 2]"
1 91 ARG 0.766 0.072 8 0 "[ . 1 . 2]"
1 92 TYR 0.136 0.025 8 0 "[ . 1 . 2]"
1 99 LYS 0.340 0.036 17 0 "[ . 1 . 2]"
1 100 LEU 0.136 0.025 8 0 "[ . 1 . 2]"
1 101 VAL 0.041 0.012 11 0 "[ . 1 . 2]"
1 102 VAL 0.484 0.047 16 0 "[ . 1 . 2]"
1 103 GLU 0.068 0.031 3 0 "[ . 1 . 2]"
1 104 TYR 0.265 0.032 9 0 "[ . 1 . 2]"
1 105 GLY 0.127 0.017 19 0 "[ . 1 . 2]"
1 106 TRP 0.079 0.016 16 0 "[ . 1 . 2]"
1 113 PHE 0.127 0.017 19 0 "[ . 1 . 2]"
1 114 LEU 0.397 0.038 17 0 "[ . 1 . 2]"
1 115 GLN 0.068 0.031 3 0 "[ . 1 . 2]"
1 116 ALA 0.073 0.013 17 0 "[ . 1 . 2]"
1 117 GLY 0.041 0.012 11 0 "[ . 1 . 2]"
1 118 LEU 0.926 0.073 6 0 "[ . 1 . 2]"
1 119 SER 0.340 0.036 17 0 "[ . 1 . 2]"
1 120 TYR 0.064 0.029 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 THR H 1 31 GLN O 1.800 . 2.500 2.493 2.284 2.516 0.016 12 0 "[ . 1 . 2]" 2
2 1 7 THR N 1 31 GLN O 1.800 . 3.500 3.363 3.110 3.436 . 0 0 "[ . 1 . 2]" 2
3 1 7 THR O 1 31 GLN H 1.800 . 2.500 2.334 1.912 2.509 0.009 16 0 "[ . 1 . 2]" 2
4 1 7 THR O 1 31 GLN N 1.800 . 3.500 3.260 2.868 3.440 . 0 0 "[ . 1 . 2]" 2
5 1 9 ASP H 1 29 THR O 1.800 . 2.500 2.430 2.142 2.512 0.012 13 0 "[ . 1 . 2]" 2
6 1 9 ASP N 1 29 THR O 1.800 . 3.500 3.309 3.029 3.477 . 0 0 "[ . 1 . 2]" 2
7 1 9 ASP O 1 29 THR H 1.800 . 2.500 2.142 1.785 2.289 0.015 13 0 "[ . 1 . 2]" 2
8 1 9 ASP O 1 29 THR N 1.800 . 3.500 3.033 2.749 3.163 . 0 0 "[ . 1 . 2]" 2
9 1 11 PHE H 1 27 GLY O 1.800 . 2.500 2.425 2.228 2.508 0.008 9 0 "[ . 1 . 2]" 2
10 1 11 PHE N 1 27 GLY O 1.800 . 3.500 3.393 3.207 3.482 . 0 0 "[ . 1 . 2]" 2
11 1 11 PHE O 1 27 GLY H 1.800 . 2.500 2.465 2.251 2.513 0.013 16 0 "[ . 1 . 2]" 2
12 1 11 PHE O 1 27 GLY N 1.800 . 3.500 3.423 3.218 3.486 . 0 0 "[ . 1 . 2]" 2
13 1 13 ALA H 1 25 THR O 1.800 . 2.500 1.978 1.796 2.253 0.004 18 0 "[ . 1 . 2]" 2
14 1 13 ALA N 1 25 THR O 1.800 . 3.500 2.828 2.663 3.142 . 0 0 "[ . 1 . 2]" 2
15 1 13 ALA O 1 25 THR H 1.800 . 2.500 2.220 1.793 2.514 0.014 2 0 "[ . 1 . 2]" 2
16 1 13 ALA O 1 25 THR N 1.800 . 3.500 2.975 2.617 3.262 . 0 0 "[ . 1 . 2]" 2
17 1 15 GLY O 1 23 GLU H 1.800 . 2.500 2.077 1.797 2.502 0.003 17 0 "[ . 1 . 2]" 2
18 1 15 GLY O 1 23 GLU N 1.800 . 3.500 2.981 2.673 3.457 . 0 0 "[ . 1 . 2]" 2
19 1 15 GLY H 1 23 GLU O 1.800 . 2.500 2.084 1.789 2.503 0.011 19 0 "[ . 1 . 2]" 2
20 1 15 GLY N 1 23 GLU O 1.800 . 3.500 2.984 2.568 3.465 . 0 0 "[ . 1 . 2]" 2
21 1 17 ASN H 1 21 THR O 1.800 . 2.500 2.126 1.937 2.335 . 0 0 "[ . 1 . 2]" 2
22 1 17 ASN N 1 21 THR O 1.800 . 3.500 3.051 2.813 3.267 . 0 0 "[ . 1 . 2]" 2
23 1 17 ASN O 1 21 THR H 1.800 . 2.500 2.506 2.489 2.517 0.017 10 0 "[ . 1 . 2]" 2
24 1 17 ASN O 1 21 THR N 1.800 . 3.500 3.408 3.352 3.465 . 0 0 "[ . 1 . 2]" 2
25 1 24 ILE H 1 44 TRP O 1.800 . 2.500 2.493 2.436 2.513 0.013 8 0 "[ . 1 . 2]" 2
26 1 24 ILE N 1 44 TRP O 1.800 . 3.500 3.420 3.310 3.483 . 0 0 "[ . 1 . 2]" 2
27 1 24 ILE O 1 44 TRP H 1.800 . 2.500 2.153 1.791 2.503 0.009 9 0 "[ . 1 . 2]" 2
28 1 24 ILE O 1 44 TRP N 1.800 . 3.500 3.052 2.678 3.354 . 0 0 "[ . 1 . 2]" 2
29 1 26 GLY H 1 42 TYR O 1.800 . 2.500 2.492 2.379 2.518 0.018 16 0 "[ . 1 . 2]" 2
30 1 26 GLY N 1 42 TYR O 1.800 . 3.500 3.408 3.301 3.476 . 0 0 "[ . 1 . 2]" 2
31 1 26 GLY O 1 42 TYR H 1.800 . 2.500 2.353 2.106 2.505 0.005 9 0 "[ . 1 . 2]" 2
32 1 26 GLY O 1 42 TYR N 1.800 . 3.500 3.282 3.018 3.463 . 0 0 "[ . 1 . 2]" 2
33 1 28 ALA H 1 40 ALA O 1.800 . 2.500 2.359 2.051 2.515 0.015 1 0 "[ . 1 . 2]" 2
34 1 28 ALA N 1 40 ALA O 1.800 . 3.500 3.253 2.935 3.452 . 0 0 "[ . 1 . 2]" 2
35 1 28 ALA O 1 40 ALA H 1.800 . 2.500 2.484 2.373 2.519 0.019 9 0 "[ . 1 . 2]" 2
36 1 28 ALA O 1 40 ALA N 1.800 . 3.500 3.405 3.284 3.494 . 0 0 "[ . 1 . 2]" 2
37 1 30 TYR H 1 38 VAL O 1.800 . 2.500 2.220 1.794 2.503 0.006 20 0 "[ . 1 . 2]" 2
38 1 30 TYR N 1 38 VAL O 1.800 . 3.500 3.112 2.725 3.439 . 0 0 "[ . 1 . 2]" 2
39 1 30 TYR O 1 38 VAL H 1.800 . 2.500 2.476 2.346 2.519 0.019 20 0 "[ . 1 . 2]" 2
40 1 30 TYR O 1 38 VAL N 1.800 . 3.500 3.425 3.175 3.484 . 0 0 "[ . 1 . 2]" 2
41 1 37 MET H 1 57 GLY O 1.800 . 2.500 2.500 2.440 2.523 0.023 3 0 "[ . 1 . 2]" 2
42 1 37 MET N 1 57 GLY O 1.800 . 3.500 3.458 3.360 3.483 . 0 0 "[ . 1 . 2]" 2
43 1 37 MET O 1 57 GLY H 1.800 . 2.500 2.300 1.910 2.502 0.002 9 0 "[ . 1 . 2]" 2
44 1 37 MET O 1 57 GLY N 1.800 . 3.500 3.150 2.805 3.377 . 0 0 "[ . 1 . 2]" 2
45 1 39 LYS H 1 55 GLY O 1.800 . 2.500 2.199 1.906 2.502 0.002 8 0 "[ . 1 . 2]" 2
46 1 39 LYS N 1 55 GLY O 1.800 . 3.500 3.136 2.847 3.456 . 0 0 "[ . 1 . 2]" 2
47 1 39 LYS O 1 55 GLY H 1.800 . 2.500 2.421 2.201 2.509 0.009 12 0 "[ . 1 . 2]" 2
48 1 39 LYS O 1 55 GLY N 1.800 . 3.500 3.365 3.077 3.485 . 0 0 "[ . 1 . 2]" 2
49 1 41 GLY H 1 53 GLU O 1.800 . 2.500 2.453 2.225 2.514 0.014 1 0 "[ . 1 . 2]" 2
50 1 41 GLY N 1 53 GLU O 1.800 . 3.500 3.397 3.168 3.465 . 0 0 "[ . 1 . 2]" 2
51 1 41 GLY O 1 53 GLU H 1.800 . 2.500 2.419 2.091 2.510 0.010 9 0 "[ . 1 . 2]" 2
52 1 41 GLY O 1 53 GLU N 1.800 . 3.500 3.305 3.029 3.482 . 0 0 "[ . 1 . 2]" 2
53 1 43 GLY H 1 51 ARG O 1.800 . 2.500 1.998 1.783 2.502 0.017 19 0 "[ . 1 . 2]" 2
54 1 43 GLY N 1 51 ARG O 1.800 . 3.500 2.891 2.639 3.386 . 0 0 "[ . 1 . 2]" 2
55 1 43 GLY O 1 51 ARG H 1.800 . 2.500 2.485 2.313 2.516 0.016 14 0 "[ . 1 . 2]" 2
56 1 43 GLY O 1 51 ARG N 1.800 . 3.500 3.317 3.100 3.440 . 0 0 "[ . 1 . 2]" 2
57 1 52 PHE H 1 76 TYR O 1.800 . 2.500 2.310 1.995 2.510 0.010 16 0 "[ . 1 . 2]" 2
58 1 52 PHE N 1 76 TYR O 1.800 . 3.500 3.131 2.648 3.462 . 0 0 "[ . 1 . 2]" 2
59 1 52 PHE O 1 76 TYR H 1.800 . 2.500 2.177 1.806 2.511 0.011 17 0 "[ . 1 . 2]" 2
60 1 52 PHE O 1 76 TYR N 1.800 . 3.500 3.061 2.725 3.378 . 0 0 "[ . 1 . 2]" 2
61 1 54 PHE H 1 74 ALA O 1.800 . 2.500 2.504 2.446 2.515 0.015 16 0 "[ . 1 . 2]" 2
62 1 54 PHE N 1 74 ALA O 1.800 . 3.500 3.425 3.371 3.484 . 0 0 "[ . 1 . 2]" 2
63 1 54 PHE O 1 74 ALA H 1.800 . 2.500 2.399 2.165 2.506 0.006 4 0 "[ . 1 . 2]" 2
64 1 54 PHE O 1 74 ALA N 1.800 . 3.500 3.306 3.077 3.445 . 0 0 "[ . 1 . 2]" 2
65 1 56 GLY H 1 72 ALA O 1.800 . 2.500 2.444 2.088 2.525 0.025 3 0 "[ . 1 . 2]" 2
66 1 56 GLY N 1 72 ALA O 1.800 . 3.500 3.366 2.982 3.469 . 0 0 "[ . 1 . 2]" 2
67 1 56 GLY O 1 72 ALA H 1.800 . 2.500 2.480 2.310 2.549 0.049 3 0 "[ . 1 . 2]" 2
68 1 56 GLY O 1 72 ALA N 1.800 . 3.500 3.388 3.238 3.457 . 0 0 "[ . 1 . 2]" 2
69 1 58 LEU H 1 70 ALA O 1.800 . 2.500 2.330 2.031 2.544 0.044 17 0 "[ . 1 . 2]" 2
70 1 58 LEU N 1 70 ALA O 1.800 . 3.500 2.966 2.588 3.398 . 0 0 "[ . 1 . 2]" 2
71 1 58 LEU O 1 70 ALA H 1.800 . 2.500 2.559 2.527 2.650 0.150 4 0 "[ . 1 . 2]" 2
72 1 58 LEU O 1 70 ALA N 1.800 . 3.500 3.442 3.343 3.531 0.031 9 0 "[ . 1 . 2]" 2
73 1 67 GLU H 1 91 ARG O 1.800 . 2.500 2.538 2.506 2.572 0.072 8 0 "[ . 1 . 2]" 2
74 1 67 GLU N 1 91 ARG O 1.800 . 3.500 3.467 3.418 3.509 0.009 19 0 "[ . 1 . 2]" 2
75 1 67 GLU O 1 91 ARG H 1.800 . 2.500 2.245 2.062 2.473 . 0 0 "[ . 1 . 2]" 2
76 1 67 GLU O 1 91 ARG N 1.800 . 3.500 3.099 2.912 3.317 . 0 0 "[ . 1 . 2]" 2
77 1 69 TYR H 1 89 GLY O 1.800 . 2.500 1.913 1.772 2.237 0.028 3 0 "[ . 1 . 2]" 2
78 1 69 TYR N 1 89 GLY O 1.800 . 3.500 2.852 2.655 3.215 . 0 0 "[ . 1 . 2]" 2
79 1 69 TYR O 1 89 GLY H 1.800 . 2.500 1.859 1.788 2.060 0.012 8 0 "[ . 1 . 2]" 2
80 1 69 TYR O 1 89 GLY N 1.800 . 3.500 2.763 2.588 2.987 . 0 0 "[ . 1 . 2]" 2
81 1 71 TRP H 1 87 GLY O 1.800 . 2.500 2.387 2.006 2.511 0.011 9 0 "[ . 1 . 2]" 2
82 1 71 TRP N 1 87 GLY O 1.800 . 3.500 3.325 2.835 3.482 . 0 0 "[ . 1 . 2]" 2
83 1 71 TRP O 1 87 GLY H 1.800 . 2.500 2.291 1.908 2.504 0.004 3 0 "[ . 1 . 2]" 2
84 1 71 TRP O 1 87 GLY N 1.800 . 3.500 3.235 2.876 3.451 . 0 0 "[ . 1 . 2]" 2
85 1 73 GLY H 1 85 ALA O 1.800 . 2.500 2.292 1.970 2.524 0.024 19 0 "[ . 1 . 2]" 2
86 1 73 GLY N 1 85 ALA O 1.800 . 3.500 3.245 2.913 3.463 . 0 0 "[ . 1 . 2]" 2
87 1 73 GLY O 1 85 ALA H 1.800 . 2.500 2.061 1.792 2.500 0.008 9 0 "[ . 1 . 2]" 2
88 1 73 GLY O 1 85 ALA N 1.800 . 3.500 2.962 2.670 3.454 . 0 0 "[ . 1 . 2]" 2
89 1 75 THR H 1 83 VAL O 1.800 . 2.500 2.296 1.915 2.512 0.012 16 0 "[ . 1 . 2]" 2
90 1 75 THR N 1 83 VAL O 1.800 . 3.500 3.209 2.850 3.480 . 0 0 "[ . 1 . 2]" 2
91 1 75 THR O 1 83 VAL H 1.800 . 2.500 2.445 2.088 2.529 0.029 14 0 "[ . 1 . 2]" 2
92 1 75 THR O 1 83 VAL N 1.800 . 3.500 3.232 2.665 3.459 . 0 0 "[ . 1 . 2]" 2
93 1 77 ASN H 1 81 THR O 1.800 . 2.500 1.982 1.792 2.522 0.022 14 0 "[ . 1 . 2]" 2
94 1 77 ASN N 1 81 THR O 1.800 . 3.500 2.917 2.703 3.425 . 0 0 "[ . 1 . 2]" 2
95 1 77 ASN O 1 81 THR H 1.800 . 2.500 2.519 2.503 2.551 0.051 17 0 "[ . 1 . 2]" 2
96 1 77 ASN O 1 81 THR N 1.800 . 3.500 3.387 3.327 3.451 . 0 0 "[ . 1 . 2]" 2
97 1 86 ALA H 1 106 TRP O 1.800 . 2.500 2.500 2.470 2.516 0.016 16 0 "[ . 1 . 2]" 2
98 1 86 ALA N 1 106 TRP O 1.800 . 3.500 3.406 3.280 3.483 . 0 0 "[ . 1 . 2]" 2
99 1 86 ALA O 1 106 TRP H 1.800 . 2.500 2.144 1.796 2.508 0.008 8 0 "[ . 1 . 2]" 2
100 1 86 ALA O 1 106 TRP N 1.800 . 3.500 3.007 2.704 3.389 . 0 0 "[ . 1 . 2]" 2
101 1 88 ALA H 1 104 TYR O 1.800 . 2.500 2.504 2.412 2.532 0.032 9 0 "[ . 1 . 2]" 2
102 1 88 ALA N 1 104 TYR O 1.800 . 3.500 3.361 3.154 3.426 . 0 0 "[ . 1 . 2]" 2
103 1 88 ALA O 1 104 TYR H 1.800 . 2.500 2.231 1.794 2.514 0.014 3 0 "[ . 1 . 2]" 2
104 1 88 ALA O 1 104 TYR N 1.800 . 3.500 3.154 2.726 3.455 . 0 0 "[ . 1 . 2]" 2
105 1 90 PHE H 1 102 VAL O 1.800 . 2.500 2.300 2.052 2.518 0.018 3 0 "[ . 1 . 2]" 2
106 1 90 PHE N 1 102 VAL O 1.800 . 3.500 3.169 2.921 3.432 . 0 0 "[ . 1 . 2]" 2
107 1 90 PHE O 1 102 VAL H 1.800 . 2.500 2.520 2.464 2.547 0.047 16 0 "[ . 1 . 2]" 2
108 1 90 PHE O 1 102 VAL N 1.800 . 3.500 3.439 3.364 3.482 . 0 0 "[ . 1 . 2]" 2
109 1 92 TYR H 1 100 LEU O 1.800 . 2.500 2.402 2.197 2.525 0.025 8 0 "[ . 1 . 2]" 2
110 1 92 TYR N 1 100 LEU O 1.800 . 3.500 3.283 3.124 3.488 . 0 0 "[ . 1 . 2]" 2
111 1 92 TYR O 1 100 LEU H 1.800 . 2.500 2.396 2.118 2.519 0.019 4 0 "[ . 1 . 2]" 2
112 1 92 TYR O 1 100 LEU N 1.800 . 3.500 3.251 3.042 3.455 . 0 0 "[ . 1 . 2]" 2
113 1 99 LYS H 1 119 SER O 1.800 . 2.500 2.514 2.484 2.536 0.036 17 0 "[ . 1 . 2]" 2
114 1 99 LYS N 1 119 SER O 1.800 . 3.500 3.409 3.307 3.494 . 0 0 "[ . 1 . 2]" 2
115 1 99 LYS O 1 119 SER H 1.800 . 2.500 2.366 2.082 2.522 0.022 12 0 "[ . 1 . 2]" 2
116 1 99 LYS O 1 119 SER N 1.800 . 3.500 3.241 3.012 3.445 . 0 0 "[ . 1 . 2]" 2
117 1 101 VAL H 1 117 GLY O 1.800 . 2.500 2.276 1.926 2.475 . 0 0 "[ . 1 . 2]" 2
118 1 101 VAL N 1 117 GLY O 1.800 . 3.500 3.170 2.860 3.387 . 0 0 "[ . 1 . 2]" 2
119 1 101 VAL O 1 117 GLY H 1.800 . 2.500 2.391 2.075 2.512 0.012 11 0 "[ . 1 . 2]" 2
120 1 101 VAL O 1 117 GLY N 1.800 . 3.500 3.330 3.012 3.484 . 0 0 "[ . 1 . 2]" 2
121 1 103 GLU H 1 115 GLN O 1.800 . 2.500 2.271 1.899 2.531 0.031 3 0 "[ . 1 . 2]" 2
122 1 103 GLU N 1 115 GLN O 1.800 . 3.500 3.148 2.719 3.447 . 0 0 "[ . 1 . 2]" 2
123 1 103 GLU O 1 115 GLN H 1.800 . 2.500 2.109 1.795 2.493 0.005 9 0 "[ . 1 . 2]" 2
124 1 103 GLU O 1 115 GLN N 1.800 . 3.500 2.939 2.565 3.383 . 0 0 "[ . 1 . 2]" 2
125 1 105 GLY H 1 113 PHE O 1.800 . 2.500 2.197 1.790 2.505 0.010 19 0 "[ . 1 . 2]" 2
126 1 105 GLY N 1 113 PHE O 1.800 . 3.500 2.970 2.581 3.291 . 0 0 "[ . 1 . 2]" 2
127 1 105 GLY O 1 113 PHE H 1.800 . 2.500 2.474 2.168 2.517 0.017 19 0 "[ . 1 . 2]" 2
128 1 105 GLY O 1 113 PHE N 1.800 . 3.500 3.403 3.140 3.485 . 0 0 "[ . 1 . 2]" 2
129 1 16 TRP O 1 114 LEU H 1.800 . 2.500 2.510 2.384 2.538 0.038 17 0 "[ . 1 . 2]" 2
130 1 16 TRP O 1 114 LEU N 1.800 . 3.500 3.419 3.275 3.490 . 0 0 "[ . 1 . 2]" 2
131 1 16 TRP H 1 114 LEU O 1.800 . 2.500 2.370 2.187 2.516 0.016 6 0 "[ . 1 . 2]" 2
132 1 16 TRP N 1 114 LEU O 1.800 . 3.500 3.214 3.013 3.384 . 0 0 "[ . 1 . 2]" 2
133 1 14 ALA O 1 116 ALA H 1.800 . 2.500 2.397 2.130 2.509 0.009 14 0 "[ . 1 . 2]" 2
134 1 14 ALA O 1 116 ALA N 1.800 . 3.500 3.348 3.109 3.469 . 0 0 "[ . 1 . 2]" 2
135 1 14 ALA H 1 116 ALA O 1.800 . 2.500 2.404 2.139 2.513 0.013 17 0 "[ . 1 . 2]" 2
136 1 14 ALA N 1 116 ALA O 1.800 . 3.500 3.300 3.010 3.472 . 0 0 "[ . 1 . 2]" 2
137 1 12 VAL O 1 118 LEU H 1.800 . 2.500 2.542 2.511 2.573 0.073 6 0 "[ . 1 . 2]" 2
138 1 12 VAL O 1 118 LEU N 1.800 . 3.500 3.321 3.250 3.386 . 0 0 "[ . 1 . 2]" 2
139 1 12 VAL H 1 118 LEU O 1.800 . 2.500 2.427 2.255 2.521 0.021 12 0 "[ . 1 . 2]" 2
140 1 12 VAL N 1 118 LEU O 1.800 . 3.500 3.253 3.078 3.394 . 0 0 "[ . 1 . 2]" 2
141 1 10 VAL O 1 120 TYR H 1.800 . 2.500 2.032 1.816 2.509 0.009 15 0 "[ . 1 . 2]" 2
142 1 10 VAL O 1 120 TYR N 1.800 . 3.500 2.905 2.641 3.249 . 0 0 "[ . 1 . 2]" 2
143 1 10 VAL H 1 120 TYR O 1.800 . 2.500 2.352 1.887 2.529 0.029 12 0 "[ . 1 . 2]" 2
144 1 10 VAL N 1 120 TYR O 1.800 . 3.500 3.235 2.774 3.473 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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