NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575585 |
2rts   |
11530 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rts
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 198
_Distance_constraint_stats_list.Viol_count 852
_Distance_constraint_stats_list.Viol_total 984.622
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0385
_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 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 GLN 1.143 0.087 7 0 "[ . 1 . 2 . 3]"
1 14 ASN 0.038 0.029 29 0 "[ . 1 . 2 . 3]"
1 15 LEU 0.438 0.090 13 0 "[ . 1 . 2 . 3]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 VAL 0.438 0.090 13 0 "[ . 1 . 2 . 3]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 VAL 1.286 0.137 17 0 "[ . 1 . 2 . 3]"
1 21 TRP 2.422 0.304 22 0 "[ . 1 . 2 . 3]"
1 24 TYR 1.897 0.304 22 0 "[ . 1 . 2 . 3]"
1 25 PRO 2.219 0.114 23 0 "[ . 1 . 2 . 3]"
1 26 LYS 2.361 0.203 19 0 "[ . 1 . 2 . 3]"
1 27 TYR 2.129 0.136 22 0 "[ . 1 . 2 . 3]"
1 28 GLU 0.830 0.059 30 0 "[ . 1 . 2 . 3]"
1 29 PRO 0.011 0.006 6 0 "[ . 1 . 2 . 3]"
1 31 LYS 1.611 0.067 11 0 "[ . 1 . 2 . 3]"
1 32 GLU 2.021 0.106 6 0 "[ . 1 . 2 . 3]"
1 33 TYR 2.848 0.087 7 0 "[ . 1 . 2 . 3]"
1 34 ASN 0.126 0.025 20 0 "[ . 1 . 2 . 3]"
1 35 GLN 0.542 0.069 27 0 "[ . 1 . 2 . 3]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 ASP 0.055 0.025 30 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.218 0.024 19 0 "[ . 1 . 2 . 3]"
1 39 VAL 7.016 0.171 22 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.541 0.032 26 0 "[ . 1 . 2 . 3]"
1 41 TYR 8.573 0.203 19 0 "[ . 1 . 2 . 3]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 LYS 0.281 0.041 14 0 "[ . 1 . 2 . 3]"
1 45 LEU 0.583 0.060 22 0 "[ . 1 . 2 . 3]"
1 46 TYR 0.359 0.048 23 0 "[ . 1 . 2 . 3]"
1 47 LYS 0.054 0.014 24 0 "[ . 1 . 2 . 3]"
1 48 ALA 2.899 0.133 30 0 "[ . 1 . 2 . 3]"
1 49 LYS 1.416 0.107 9 0 "[ . 1 . 2 . 3]"
1 50 TYR 1.033 0.069 27 0 "[ . 1 . 2 . 3]"
1 51 TRP 1.279 0.055 27 0 "[ . 1 . 2 . 3]"
1 52 THR 0.421 0.028 26 0 "[ . 1 . 2 . 3]"
1 53 THR 1.229 0.106 6 0 "[ . 1 . 2 . 3]"
1 54 SER 0.072 0.050 22 0 "[ . 1 . 2 . 3]"
1 55 PRO 2.756 0.135 11 0 "[ . 1 . 2 . 3]"
1 56 PRO 5.642 0.171 22 0 "[ . 1 . 2 . 3]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ASP 0.007 0.007 4 0 "[ . 1 . 2 . 3]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 TYR 0.066 0.026 8 0 "[ . 1 . 2 . 3]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 SER 1.633 0.107 9 0 "[ . 1 . 2 . 3]"
1 64 TRP 3.562 0.133 30 0 "[ . 1 . 2 . 3]"
1 65 GLU 0.003 0.002 17 0 "[ . 1 . 2 . 3]"
1 66 TYR 0.420 0.041 14 0 "[ . 1 . 2 . 3]"
1 67 LEU 0.223 0.048 23 0 "[ . 1 . 2 . 3]"
1 69 GLU 1.174 0.058 29 0 "[ . 1 . 2 . 3]"
1 70 ALA 1.768 0.058 29 0 "[ . 1 . 2 . 3]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 9 LEU HA 1 9 LEU QD 4.000 . 4.000 3.224 2.148 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 9 LEU HA 1 9 LEU HG 4.000 . 4.000 3.585 3.250 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 10 VAL MG1 1 11 SER HA 4.000 . 4.000 3.268 3.053 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 12 LEU HA 1 12 LEU QD 4.000 . 4.000 2.718 1.875 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 12 LEU HA 1 12 LEU MD2 4.000 . 4.000 3.279 2.157 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 12 LEU HA 1 12 LEU HG 4.000 . 4.000 2.875 2.148 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 13 GLN HA 1 13 GLN QG 4.000 . 4.000 2.259 2.015 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 13 GLN QB 1 14 ASN QD 4.000 . 4.000 3.108 2.059 4.029 0.029 29 0 "[ . 1 . 2 . 3]" 1
9 1 13 GLN QE 1 33 TYR HA 4.000 . 4.000 2.843 1.941 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 13 GLN QE 1 33 TYR QB 4.000 . 4.000 4.016 3.600 4.087 0.087 7 0 "[ . 1 . 2 . 3]" 1
11 1 15 LEU HA 1 15 LEU QD 4.000 . 4.000 2.436 1.879 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 15 LEU HA 1 15 LEU HG 4.000 . 4.000 2.781 2.153 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 15 LEU QB 1 17 VAL MG1 4.000 . 4.000 3.308 1.891 4.090 0.090 13 0 "[ . 1 . 2 . 3]" 1
14 1 15 LEU QB 1 17 VAL MG2 4.000 . 4.000 3.073 1.929 4.073 0.073 15 0 "[ . 1 . 2 . 3]" 1
15 1 16 LEU HA 1 16 LEU QD 4.000 . 4.000 2.685 1.990 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 16 LEU HA 1 16 LEU HG 4.000 . 4.000 2.923 2.218 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 18 TYR HA 1 18 TYR QD 4.000 . 4.000 3.066 2.179 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 19 VAL MG2 1 21 TRP HZ3 4.000 . 4.000 3.783 1.951 4.137 0.137 17 0 "[ . 1 . 2 . 3]" 1
19 1 21 TRP HA 1 24 TYR QD 4.000 . 4.000 4.031 3.865 4.304 0.304 22 0 "[ . 1 . 2 . 3]" 1
20 1 24 TYR HA 1 25 PRO QD 4.000 . 4.000 2.069 1.849 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 24 TYR QB 1 25 PRO QD 4.000 . 4.000 2.324 1.935 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 24 TYR QB 1 38 ILE MG 4.000 . 4.000 3.606 3.033 4.024 0.024 19 0 "[ . 1 . 2 . 3]" 1
23 1 24 TYR QB 1 39 VAL HA 4.000 . 4.000 3.591 2.840 4.032 0.032 22 0 "[ . 1 . 2 . 3]" 1
24 1 24 TYR QB 1 45 LEU MD1 4.000 . 4.000 3.859 2.988 4.043 0.043 8 0 "[ . 1 . 2 . 3]" 1
25 1 24 TYR QB 1 45 LEU MD2 4.000 . 4.000 2.662 2.138 4.007 0.007 26 0 "[ . 1 . 2 . 3]" 1
26 1 24 TYR QD 1 25 PRO QD 4.000 . 4.000 2.839 2.006 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 24 TYR QD 1 38 ILE HB 4.000 . 4.000 3.618 2.549 4.011 0.011 15 0 "[ . 1 . 2 . 3]" 1
28 1 24 TYR QD 1 38 ILE MG 4.000 . 4.000 2.517 2.042 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 24 TYR QD 1 45 LEU MD1 4.000 . 4.000 3.305 2.769 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 24 TYR QD 1 45 LEU QD 4.000 . 4.000 2.467 1.890 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 24 TYR QE 1 38 ILE HB 4.000 . 4.000 3.327 2.263 4.013 0.013 6 0 "[ . 1 . 2 . 3]" 1
32 1 24 TYR QE 1 38 ILE MD 4.000 . 4.000 3.133 2.259 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 24 TYR QE 1 38 ILE MG 4.000 . 4.000 3.062 1.960 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 24 TYR QE 1 45 LEU MD1 4.000 . 4.000 3.838 2.473 4.060 0.060 22 0 "[ . 1 . 2 . 3]" 1
35 1 24 TYR QE 1 45 LEU QD 4.000 . 4.000 3.432 2.417 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 25 PRO QD 1 39 VAL HA 4.000 . 4.000 3.789 3.416 4.005 0.005 25 0 "[ . 1 . 2 . 3]" 1
37 1 25 PRO QG 1 39 VAL HA 4.000 . 4.000 3.220 2.878 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 25 PRO QG 1 39 VAL HB 4.000 . 4.000 4.074 4.041 4.114 0.114 23 0 "[ . 1 . 2 . 3]" 1
39 1 25 PRO QG 1 39 VAL MG1 4.000 . 4.000 3.045 2.662 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 26 LYS HA 1 26 LYS QG 4.000 . 4.000 2.632 2.354 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 26 LYS QB 1 41 TYR HA 4.000 . 4.000 4.055 4.000 4.203 0.203 19 0 "[ . 1 . 2 . 3]" 1
42 1 26 LYS QG 1 41 TYR HA 4.000 . 4.000 3.986 3.353 4.068 0.068 18 0 "[ . 1 . 2 . 3]" 1
43 1 27 TYR HA 1 39 VAL HB 4.000 . 4.000 2.449 2.319 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 27 TYR HA 1 39 VAL MG1 4.000 . 4.000 2.913 2.765 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 27 TYR HA 1 39 VAL MG2 4.000 . 4.000 2.396 2.130 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 27 TYR QB 1 39 VAL HB 4.000 . 4.000 3.545 3.051 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 27 TYR QB 1 39 VAL MG1 4.000 . 4.000 3.968 3.590 4.101 0.101 26 0 "[ . 1 . 2 . 3]" 1
48 1 27 TYR QB 1 39 VAL MG2 4.000 . 4.000 2.136 1.886 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 27 TYR QE 1 29 PRO QG 4.000 . 4.000 3.454 3.069 4.006 0.006 6 0 "[ . 1 . 2 . 3]" 1
50 1 27 TYR QE 1 41 TYR QD 4.000 . 4.000 4.017 3.844 4.136 0.136 22 0 "[ . 1 . 2 . 3]" 1
51 1 28 GLU HA 1 29 PRO QD 4.000 . 4.000 1.853 1.850 1.866 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 28 GLU QB 1 31 LYS QD 4.000 . 4.000 3.499 2.072 4.004 0.004 25 0 "[ . 1 . 2 . 3]" 1
53 1 28 GLU QB 1 31 LYS QG 4.000 . 4.000 4.015 3.822 4.059 0.059 30 0 "[ . 1 . 2 . 3]" 1
54 1 31 LYS HA 1 31 LYS QG 4.000 . 4.000 2.354 2.025 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 31 LYS QB 1 33 TYR QE 4.000 . 4.000 3.580 3.384 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 31 LYS QD 1 33 TYR QE 4.000 . 4.000 4.026 4.005 4.067 0.067 11 0 "[ . 1 . 2 . 3]" 1
57 1 32 GLU HA 1 53 THR HA 4.000 . 4.000 3.840 3.407 4.056 0.056 26 0 "[ . 1 . 2 . 3]" 1
58 1 32 GLU HA 1 53 THR MG 4.000 . 4.000 1.919 1.868 2.075 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 32 GLU QB 1 51 TRP HE1 4.000 . 4.000 4.014 3.786 4.055 0.055 27 0 "[ . 1 . 2 . 3]" 1
60 1 32 GLU QB 1 53 THR MG 4.000 . 4.000 3.110 2.315 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 32 GLU QG 1 51 TRP HE1 4.000 . 4.000 3.833 2.219 4.020 0.020 13 0 "[ . 1 . 2 . 3]" 1
62 1 32 GLU QG 1 53 THR MG 4.000 . 4.000 3.197 1.886 4.106 0.106 6 0 "[ . 1 . 2 . 3]" 1
63 1 33 TYR HA 1 33 TYR QD 4.000 . 4.000 2.566 2.463 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 33 TYR QB 1 48 ALA MB 4.000 . 4.000 2.708 2.534 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 33 TYR QE 1 39 VAL MG1 4.000 . 4.000 2.358 2.202 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 33 TYR QE 1 39 VAL MG2 4.000 . 4.000 4.030 3.925 4.067 0.067 10 0 "[ . 1 . 2 . 3]" 1
67 1 34 ASN HA 1 51 TRP HA 4.000 . 4.000 2.523 2.376 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 34 ASN HA 1 51 TRP QB 4.000 . 4.000 3.975 3.859 4.025 0.025 20 0 "[ . 1 . 2 . 3]" 1
69 1 34 ASN HA 1 51 TRP HD1 4.000 . 4.000 2.245 1.996 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 35 GLN HA 1 35 GLN QG 4.000 . 4.000 3.361 3.305 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 35 GLN HA 1 48 ALA MB 4.000 . 4.000 2.737 2.539 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 35 GLN HA 1 50 TYR HA 4.000 . 4.000 3.096 2.859 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 35 GLN QB 1 35 GLN QE 4.000 . 4.000 2.232 1.954 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 35 GLN QB 1 50 TYR HA 4.000 . 4.000 1.906 1.882 1.954 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 35 GLN QG 1 50 TYR HA 4.000 . 4.000 3.965 3.760 4.069 0.069 27 0 "[ . 1 . 2 . 3]" 1
76 1 36 GLY QA 1 47 LYS QE 4.000 . 4.000 3.165 2.226 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 36 GLY QA 1 47 LYS QG 4.000 . 4.000 2.570 2.444 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 37 ASP QB 1 39 VAL MG1 4.000 . 4.000 3.427 3.166 4.025 0.025 30 0 "[ . 1 . 2 . 3]" 1
79 1 37 ASP QB 1 48 ALA MB 4.000 . 4.000 2.631 2.404 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 38 ILE HA 1 38 ILE MD 4.000 . 4.000 3.775 3.652 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 38 ILE HA 1 38 ILE QG 4.000 . 4.000 2.373 2.310 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 38 ILE HA 1 47 LYS HA 4.000 . 4.000 2.468 2.400 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 38 ILE MD 1 47 LYS QD 4.000 . 4.000 2.070 1.887 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 38 ILE MD 1 47 LYS QE 4.000 . 4.000 3.607 3.135 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 38 ILE MD 1 47 LYS QG 4.000 . 4.000 3.607 3.314 4.002 0.002 19 0 "[ . 1 . 2 . 3]" 1
86 1 38 ILE QG 1 47 LYS HA 4.000 . 4.000 2.632 2.487 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 38 ILE QG 1 47 LYS QB 4.000 . 4.000 2.010 1.890 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 38 ILE QG 1 47 LYS QG 4.000 . 4.000 2.739 2.431 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 38 ILE MG 1 39 VAL HA 4.000 . 4.000 3.494 3.353 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 38 ILE MG 1 45 LEU QB 4.000 . 4.000 2.973 2.544 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 38 ILE MG 1 45 LEU MD2 4.000 . 4.000 2.152 1.904 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 38 ILE MG 1 47 LYS QD 4.000 . 4.000 3.951 3.842 4.014 0.014 24 0 "[ . 1 . 2 . 3]" 1
93 1 39 VAL MG1 1 64 TRP HZ3 4.000 . 4.000 3.762 3.632 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 39 VAL MG2 1 46 TYR QD 4.000 . 4.000 3.652 3.467 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 39 VAL MG2 1 56 PRO QB 4.000 . 4.000 4.086 4.010 4.171 0.171 22 0 "[ . 1 . 2 . 3]" 1
96 1 39 VAL MG2 1 56 PRO QG 4.000 . 4.000 3.498 3.418 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 39 VAL MG2 1 64 TRP HZ3 4.000 . 4.000 3.189 2.816 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 40 GLU HA 1 45 LEU HA 4.000 . 4.000 2.740 2.613 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 40 GLU HA 1 45 LEU MD2 4.000 . 4.000 2.337 2.260 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 40 GLU HA 1 70 ALA MB 4.000 . 4.000 4.017 3.967 4.032 0.032 26 0 "[ . 1 . 2 . 3]" 1
101 1 40 GLU QB 1 45 LEU MD2 4.000 . 4.000 2.580 2.333 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 40 GLU QG 1 45 LEU MD2 4.000 . 4.000 3.343 2.675 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 40 GLU QG 1 70 ALA MB 4.000 . 4.000 2.084 1.871 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 41 TYR HA 1 41 TYR QD 4.000 . 4.000 2.840 2.497 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 41 TYR QB 1 41 TYR QE 4.000 . 4.000 3.937 3.935 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 41 TYR QB 1 46 TYR QE 4.000 . 4.000 2.276 1.974 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 41 TYR QB 1 56 PRO QB 4.000 . 4.000 3.258 3.181 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 41 TYR QB 1 56 PRO QG 4.000 . 4.000 2.226 2.129 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 41 TYR QD 1 56 PRO QB 4.000 . 4.000 3.410 3.337 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 41 TYR QD 1 56 PRO QD 4.000 . 4.000 3.411 3.276 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 41 TYR QD 1 56 PRO QG 4.000 . 4.000 2.634 2.608 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 41 TYR QE 1 42 ASN QD 4.000 . 4.000 3.209 2.516 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 41 TYR QE 1 55 PRO QB 4.000 . 4.000 4.092 4.041 4.135 0.135 11 0 "[ . 1 . 2 . 3]" 1
114 1 41 TYR QE 1 56 PRO QB 4.000 . 4.000 4.082 4.033 4.154 0.154 19 0 "[ . 1 . 2 . 3]" 1
115 1 41 TYR QE 1 56 PRO QD 4.000 . 4.000 3.457 3.245 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 41 TYR QE 1 56 PRO QG 4.000 . 4.000 3.079 2.983 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 43 GLY QA 1 70 ALA MB 4.000 . 4.000 2.232 1.994 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 44 LYS HA 1 44 LYS QG 4.000 . 4.000 2.231 2.031 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 44 LYS HA 1 69 GLU HA 4.000 . 4.000 1.948 1.928 1.980 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 44 LYS QB 1 46 TYR QE 4.000 . 4.000 2.142 1.938 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 44 LYS QB 1 66 TYR QD 4.000 . 4.000 3.478 2.907 4.020 0.020 23 0 "[ . 1 . 2 . 3]" 1
122 1 44 LYS QB 1 66 TYR QE 4.000 . 4.000 3.412 1.992 4.041 0.041 14 0 "[ . 1 . 2 . 3]" 1
123 1 44 LYS QD 1 66 TYR QE 4.000 . 4.000 3.048 1.988 4.002 0.002 2 0 "[ . 1 . 2 . 3]" 1
124 1 44 LYS QG 1 66 TYR QE 4.000 . 4.000 2.841 1.915 4.007 0.007 9 0 "[ . 1 . 2 . 3]" 1
125 1 44 LYS QG 1 69 GLU HA 4.000 . 4.000 3.215 2.434 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 45 LEU HA 1 45 LEU MD1 4.000 . 4.000 3.761 2.380 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 45 LEU HA 1 45 LEU QD 4.000 . 4.000 2.025 1.945 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 45 LEU HA 1 45 LEU MD2 4.000 . 4.000 2.038 1.951 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 45 LEU HA 1 45 LEU HG 4.000 . 4.000 2.915 2.813 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 45 LEU MD1 1 70 ALA HA 4.000 . 4.000 2.523 2.089 4.021 0.021 26 0 "[ . 1 . 2 . 3]" 1
131 1 45 LEU MD2 1 70 ALA HA 4.000 . 4.000 3.532 1.913 4.024 0.024 22 0 "[ . 1 . 2 . 3]" 1
132 1 45 LEU MD2 1 70 ALA MB 4.000 . 4.000 3.415 2.142 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 46 TYR HA 1 46 TYR QD 4.000 . 4.000 2.890 2.673 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 46 TYR HA 1 66 TYR HA 4.000 . 4.000 2.433 2.263 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 46 TYR HA 1 67 LEU QD 4.000 . 4.000 3.885 2.159 4.048 0.048 23 0 "[ . 1 . 2 . 3]" 1
136 1 46 TYR HA 1 67 LEU HG 4.000 . 4.000 3.561 3.387 4.006 0.006 23 0 "[ . 1 . 2 . 3]" 1
137 1 46 TYR QB 1 64 TRP HE3 4.000 . 4.000 2.143 1.978 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 46 TYR QE 1 66 TYR HA 4.000 . 4.000 3.960 3.771 4.039 0.039 4 0 "[ . 1 . 2 . 3]" 1
139 1 46 TYR QE 1 66 TYR QB 4.000 . 4.000 2.480 2.109 4.016 0.016 23 0 "[ . 1 . 2 . 3]" 1
140 1 47 LYS HA 1 47 LYS QG 4.000 . 4.000 2.491 2.368 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 47 LYS QB 1 47 LYS QE 4.000 . 4.000 2.718 2.398 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 47 LYS QB 1 65 GLU QB 4.000 . 4.000 2.700 2.553 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 47 LYS QB 1 67 LEU MD1 4.000 . 4.000 1.848 1.818 1.906 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 47 LYS QB 1 67 LEU MD2 4.000 . 4.000 2.550 1.880 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 47 LYS QD 1 67 LEU MD1 4.000 . 4.000 2.024 1.894 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 47 LYS QD 1 67 LEU MD2 4.000 . 4.000 3.429 1.961 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 47 LYS QE 1 67 LEU MD1 4.000 . 4.000 2.322 1.997 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 47 LYS QE 1 67 LEU MD2 4.000 . 4.000 2.489 1.952 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 48 ALA HA 1 64 TRP HA 4.000 . 4.000 2.197 2.151 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 48 ALA HA 1 64 TRP QB 4.000 . 4.000 4.097 4.070 4.133 0.133 30 0 "[ . 1 . 2 . 3]" 1
151 1 48 ALA HA 1 64 TRP HE3 4.000 . 4.000 3.217 3.105 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 48 ALA MB 1 64 TRP HA 4.000 . 4.000 3.838 3.777 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 48 ALA MB 1 64 TRP HH2 4.000 . 4.000 3.420 3.252 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 48 ALA MB 1 64 TRP HZ3 4.000 . 4.000 3.488 3.308 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 49 LYS HA 1 49 LYS QG 4.000 . 4.000 2.502 2.456 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 49 LYS QB 1 50 TYR QD 4.000 . 4.000 2.382 2.103 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 49 LYS QB 1 50 TYR QE 4.000 . 4.000 3.897 3.427 4.039 0.039 4 0 "[ . 1 . 2 . 3]" 1
158 1 49 LYS QB 1 63 SER HA 4.000 . 4.000 3.060 2.739 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 49 LYS QD 1 63 SER HA 4.000 . 4.000 4.019 3.862 4.107 0.107 9 0 "[ . 1 . 2 . 3]" 1
160 1 49 LYS QE 1 65 GLU QB 4.000 . 4.000 1.926 1.896 2.042 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 49 LYS QE 1 65 GLU QG 4.000 . 4.000 2.216 2.009 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 49 LYS QG 1 64 TRP HA 4.000 . 4.000 2.862 2.758 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 50 TYR HA 1 50 TYR QD 4.000 . 4.000 3.693 3.640 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 50 TYR QB 1 50 TYR QE 4.000 . 4.000 3.946 3.944 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 50 TYR QD 1 63 SER HA 4.000 . 4.000 2.561 2.279 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 50 TYR QD 1 63 SER QB 4.000 . 4.000 3.974 3.755 4.065 0.065 4 0 "[ . 1 . 2 . 3]" 1
167 1 50 TYR QE 1 63 SER HA 4.000 . 4.000 2.059 1.965 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 50 TYR QE 1 63 SER QB 4.000 . 4.000 2.487 2.116 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 51 TRP HA 1 51 TRP HD1 4.000 . 4.000 2.874 2.767 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 51 TRP HE3 1 52 THR HA 4.000 . 4.000 4.012 4.000 4.028 0.028 26 0 "[ . 1 . 2 . 3]" 1
171 1 52 THR HB 1 63 SER QB 4.000 . 4.000 2.816 2.159 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 52 THR MG 1 61 TYR QE 4.000 . 4.000 3.106 2.339 4.026 0.026 8 0 "[ . 1 . 2 . 3]" 1
173 1 52 THR MG 1 63 SER QB 4.000 . 4.000 2.191 1.821 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 54 SER HA 1 55 PRO QD 4.000 . 4.000 2.070 2.052 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 54 SER QB 1 55 PRO QD 4.000 . 4.000 2.585 2.286 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 54 SER QB 1 64 TRP HE1 4.000 . 4.000 3.828 3.581 4.050 0.050 22 0 "[ . 1 . 2 . 3]" 1
177 1 55 PRO HA 1 56 PRO QD 4.000 . 4.000 2.044 2.009 2.075 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 55 PRO QB 1 56 PRO QD 4.000 . 4.000 2.396 2.297 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 56 PRO HA 1 64 TRP HD1 4.000 . 4.000 3.702 3.479 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 56 PRO HA 1 64 TRP HE1 4.000 . 4.000 4.017 3.925 4.033 0.033 22 0 "[ . 1 . 2 . 3]" 1
181 1 57 SER QB 1 58 ASP QB 4.000 . 4.000 3.358 2.894 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 58 ASP QB 1 60 PRO QD 4.000 . 4.000 2.797 2.525 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 59 ASP HA 1 60 PRO QD 4.000 . 4.000 1.947 1.936 1.953 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 59 ASP QB 1 60 PRO QD 4.000 . 4.000 3.590 3.581 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 59 ASP QB 1 61 TYR QE 4.000 . 4.000 3.648 3.459 4.007 0.007 4 0 "[ . 1 . 2 . 3]" 1
186 1 59 ASP QB 1 62 GLY QA 4.000 . 4.000 2.651 2.490 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 61 TYR HA 1 61 TYR QD 4.000 . 4.000 3.651 3.596 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 64 TRP HA 1 64 TRP HE3 4.000 . 4.000 2.858 2.749 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 65 GLU QG 1 67 LEU MD2 4.000 . 4.000 2.761 1.921 4.002 0.002 17 0 "[ . 1 . 2 . 3]" 1
190 1 66 TYR HA 1 66 TYR QD 4.000 . 4.000 2.969 2.010 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 67 LEU HA 1 67 LEU MD1 4.000 . 4.000 3.906 3.719 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 67 LEU HA 1 67 LEU QD 4.000 . 4.000 2.271 1.975 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 67 LEU HA 1 67 LEU MD2 4.000 . 4.000 2.305 1.982 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 67 LEU HA 1 67 LEU HG 4.000 . 4.000 3.284 2.862 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 69 GLU QB 1 70 ALA MB 4.000 . 4.000 4.039 4.022 4.058 0.058 29 0 "[ . 1 . 2 . 3]" 1
196 1 70 ALA MB 1 71 GLU QG 4.000 . 4.000 3.415 2.558 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 71 GLU HA 1 72 PRO QD 4.000 . 4.000 1.874 1.850 2.095 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 71 GLU QG 1 72 PRO QD 4.000 . 4.000 3.306 2.794 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 15, 2024 6:24:25 PM GMT (wattos1)