NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407278 |
1y4e   |
6446 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y4e
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 169
_Distance_constraint_stats_list.Viol_count 1567
_Distance_constraint_stats_list.Viol_total 6940.560
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0443
_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 1 PHE 2.487 0.159 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 2 LEU 5.996 0.159 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 3 GLN 2.329 0.082 90 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 4 SER 4.191 0.157 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 5 ASP 2.678 0.128 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 6 VAL 9.644 0.167 94 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 7 PHE 4.063 0.133 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 8 PHE 3.873 0.167 94 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 9 LEU 4.592 0.179 88 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 10 PHE 7.534 0.179 88 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 11 LEU 1.427 0.095 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 12 LEU 1.686 0.097 86 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 13 PRO 1.020 0.097 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 14 PRO 1.359 0.147 97 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 15 ILE 11.156 0.247 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 16 ILE 13.604 0.166 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 17 LEU 2.841 0.226 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 18 ASP 7.838 0.136 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 19 ALA 9.122 0.166 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 20 GLY 3.306 0.145 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 21 TYR 11.881 0.156 82 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 22 PHE 1.037 0.125 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 23 LEU 4.676 0.156 82 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 24 PRO 2.512 0.132 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 25 LEU 2.147 0.094 74 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 26 ARG 2.147 0.094 74 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 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 1 PHE HA 1 1 PHE QB 2.340 . 2.800 2.369 2.154 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
2 1 1 PHE HA 1 2 LEU H 3.370 . 3.600 2.693 2.113 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
3 1 1 PHE HA 1 2 LEU HA 3.920 . 5.000 4.598 4.292 5.159 0.159 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
4 1 1 PHE HA 1 2 LEU QB 3.400 . 5.000 4.247 3.840 4.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
5 1 1 PHE HA 1 2 LEU HG 3.400 . 5.000 4.548 3.586 5.042 0.042 97 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
6 1 1 PHE QB 1 2 LEU H 3.570 . 3.600 2.690 1.819 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
7 1 2 LEU H 1 2 LEU HA . . 2.800 2.663 2.238 2.858 0.058 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
8 1 2 LEU H 1 2 LEU QB 2.820 . 3.600 2.944 2.118 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
9 1 2 LEU H 1 2 LEU QD 3.400 . 5.000 3.177 1.918 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
10 1 2 LEU H 1 2 LEU HG 3.720 . 5.000 3.166 1.983 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
11 1 2 LEU HA 1 2 LEU QB 2.800 . 2.800 2.320 2.142 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
12 1 2 LEU HA 1 2 LEU QD 3.400 . 5.000 2.739 1.730 3.454 0.070 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
13 1 2 LEU HA 1 2 LEU HG 4.200 . 5.000 3.196 2.135 4.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
14 1 2 LEU HA 1 4 SER H 3.900 . 6.000 4.314 2.900 5.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
15 1 2 LEU HA 1 6 VAL HB 3.630 . 5.000 4.544 2.595 5.025 0.025 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
16 1 2 LEU QB 1 2 LEU HG 2.550 . 2.800 2.422 2.141 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
17 1 3 GLN H 1 4 SER H 3.310 . 3.600 2.604 1.751 3.612 0.049 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
18 1 3 GLN H 1 4 SER HA 3.400 2.700 5.000 4.740 4.002 5.069 0.069 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
19 1 3 GLN HA 1 4 SER H 3.380 . 3.600 3.019 2.204 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
20 1 3 GLN HA 1 5 ASP H 3.400 . 5.000 4.371 3.295 5.082 0.082 90 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
21 1 3 GLN HA 1 6 VAL H 3.900 . 6.000 5.744 4.613 6.068 0.068 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
22 1 3 GLN QB 1 4 SER H 3.400 . 5.000 3.350 1.825 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
23 1 4 SER H 1 4 SER QB . . 3.600 2.841 2.083 3.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
24 1 4 SER H 1 5 ASP H 3.270 . 3.600 2.948 1.769 3.653 0.053 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
25 1 4 SER H 1 6 VAL H 4.220 . 5.000 4.099 2.378 5.083 0.083 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
26 1 4 SER HA 1 4 SER QB 2.800 . 2.800 2.329 2.152 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
27 1 4 SER HA 1 5 ASP H 3.490 . 3.600 2.826 2.247 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
28 1 4 SER HA 1 6 VAL H 4.840 . 5.000 4.648 4.151 5.157 0.157 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
29 1 4 SER QB 1 5 ASP H 4.510 . 5.000 3.676 2.018 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
30 1 5 ASP H 1 5 ASP QB . . 3.600 2.984 2.122 3.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
31 1 5 ASP H 1 6 VAL H 3.410 . 3.600 2.905 1.672 3.678 0.128 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
32 1 5 ASP HA 1 6 VAL H 4.130 . 5.000 3.519 3.156 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
33 1 5 ASP HA 1 7 PHE H 3.400 . 5.000 4.004 3.596 4.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
34 1 5 ASP HA 1 8 PHE H 3.900 . 6.000 5.169 4.057 6.054 0.054 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
35 1 5 ASP HA 1 8 PHE QB 3.900 . 6.000 5.083 4.122 5.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
36 1 5 ASP QB 1 6 VAL H 3.400 . 5.000 2.592 1.991 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
37 1 5 ASP QB 1 7 PHE HA 3.900 . 6.000 5.211 4.924 5.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
38 1 6 VAL H 1 6 VAL HB 3.230 . 3.600 3.376 2.986 3.712 0.112 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
39 1 6 VAL H 1 6 VAL QG 3.670 . 5.000 3.135 2.420 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
40 1 6 VAL H 1 7 PHE H 3.330 . 3.600 3.436 3.092 3.668 0.068 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
41 1 6 VAL H 1 8 PHE HA 3.900 . 6.000 5.967 5.680 6.167 0.167 94 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
42 1 6 VAL HA 1 7 PHE H 3.870 . 5.000 3.560 3.507 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
43 1 6 VAL HA 1 8 PHE H 3.400 . 5.000 3.815 3.315 4.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
44 1 6 VAL HA 1 9 LEU H 3.770 . 5.000 3.464 2.917 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
45 1 6 VAL HA 1 9 LEU QB 3.590 . 3.600 2.797 1.917 3.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
46 1 6 VAL HA 1 9 LEU HG 3.900 . 6.000 5.042 3.119 6.014 0.014 87 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
47 1 6 VAL HA 1 10 PHE H 3.400 . 5.000 4.590 3.472 5.037 0.037 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
48 1 6 VAL HB 1 7 PHE H 3.820 . 5.000 3.113 1.967 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
49 1 6 VAL QG 1 7 PHE H 3.400 . 5.000 2.238 1.802 3.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
50 1 7 PHE H 1 7 PHE QB . . 3.600 2.312 2.057 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
51 1 7 PHE H 1 8 PHE H 3.100 . 3.600 2.759 2.472 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
52 1 7 PHE H 1 10 PHE H 3.900 . 6.000 5.550 4.643 6.133 0.133 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
53 1 7 PHE HA 1 8 PHE H 3.230 . 3.600 3.216 2.615 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
54 1 7 PHE HA 1 10 PHE H 3.900 . 6.000 4.688 3.357 6.006 0.006 92 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
55 1 7 PHE QB 1 8 PHE H 4.020 . 5.000 3.412 2.281 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
56 1 8 PHE H 1 8 PHE QB . . 3.600 2.596 1.973 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
57 1 8 PHE H 1 11 LEU H 3.900 . 6.000 5.628 3.162 6.095 0.095 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
58 1 8 PHE HA 1 8 PHE QB 2.800 . 2.800 2.446 2.136 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
59 1 8 PHE HA 1 9 LEU H 3.400 . 5.000 3.378 3.017 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
60 1 8 PHE HA 1 9 LEU QB 3.900 . 6.000 5.077 4.752 5.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
61 1 8 PHE QB 1 10 PHE QB 3.900 . 6.000 4.813 4.763 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
62 1 9 LEU H 1 9 LEU QB 2.850 . 3.600 2.174 2.011 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
63 1 9 LEU H 1 9 LEU QD 3.400 . 5.000 3.496 1.873 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
64 1 9 LEU H 1 9 LEU HG 3.760 . 5.000 4.078 2.601 4.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
65 1 9 LEU H 1 10 PHE H 3.150 . 3.600 2.518 2.367 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
66 1 9 LEU H 1 10 PHE HA 3.400 . 5.000 4.890 4.614 5.061 0.061 79 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
67 1 9 LEU H 1 12 LEU H 3.900 . 6.000 5.839 4.911 6.097 0.097 86 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
68 1 9 LEU HA 1 9 LEU QD 3.290 . 3.600 2.240 1.870 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
69 1 9 LEU HA 1 9 LEU HG 3.100 . 3.600 2.913 2.222 3.686 0.086 88 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
70 1 9 LEU HA 1 10 PHE H 3.880 . 5.000 3.366 3.206 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
71 1 9 LEU QB 1 9 LEU HG 2.310 . 2.800 2.367 2.122 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
72 1 9 LEU QB 1 10 PHE H 2.700 . 3.600 2.964 2.124 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
73 1 9 LEU HG 1 10 PHE H 3.400 . 5.000 4.623 2.548 5.179 0.179 88 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
74 1 10 PHE H 1 10 PHE HA 2.700 . 3.600 2.591 2.254 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
75 1 10 PHE H 1 10 PHE QB . . 3.600 2.412 1.953 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
76 1 10 PHE H 1 13 PRO HA 3.900 . 6.000 5.756 4.846 6.097 0.097 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
77 1 10 PHE QB 1 11 LEU H 4.110 . 5.000 3.192 1.733 4.015 0.067 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
78 1 11 LEU H 1 11 LEU QB 2.810 . 3.600 2.544 2.034 3.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
79 1 11 LEU HA 1 11 LEU QB . . 2.800 2.474 2.143 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
80 1 11 LEU HA 1 12 LEU H 4.290 . 5.000 3.523 3.429 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
81 1 11 LEU QB 1 12 LEU H 3.640 . 5.000 2.548 1.847 3.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
82 1 11 LEU QB 1 12 LEU QB 2.700 . 3.600 2.884 2.863 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
83 1 12 LEU H 1 12 LEU QB 3.410 . 3.600 2.783 2.292 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
84 1 12 LEU H 1 14 PRO QD 3.890 . 5.000 4.400 3.954 4.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
85 1 13 PRO HA 1 14 PRO QB 3.900 . 6.000 4.918 4.462 5.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
86 1 13 PRO QB 1 14 PRO QG 3.900 . 6.000 4.502 3.479 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
87 1 14 PRO HA 1 15 ILE H 4.390 . 5.000 2.698 2.136 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
88 1 14 PRO HA 1 17 LEU H 4.860 . 5.000 3.898 3.152 5.108 0.108 62 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
89 1 14 PRO QB 1 14 PRO QD 3.190 . 3.600 2.801 2.580 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
90 1 14 PRO QB 1 15 ILE H 3.400 . 5.000 3.583 1.653 4.021 0.147 97 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
91 1 14 PRO QB 1 17 LEU QD 3.900 . 6.000 2.699 1.678 3.969 0.122 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
92 1 14 PRO QB 1 17 LEU HG 3.400 . 5.000 3.878 1.942 4.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
93 1 14 PRO QD 1 15 ILE H 3.610 . 5.000 3.960 2.132 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
94 1 15 ILE H 1 15 ILE HB 3.030 . 3.600 2.769 2.080 3.624 0.024 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
95 1 15 ILE H 1 15 ILE QG 3.620 . 5.000 3.674 1.858 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
96 1 15 ILE H 1 15 ILE QG 4.050 . 5.000 2.445 1.806 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
97 1 15 ILE H 1 16 ILE H 3.190 . 3.600 2.629 1.802 3.660 0.060 86 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
98 1 15 ILE H 1 16 ILE MD 3.400 . 5.000 3.724 2.720 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
99 1 15 ILE HA 1 15 ILE QG 3.230 . 3.600 2.472 1.937 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
100 1 15 ILE HA 1 16 ILE H 3.900 . 5.000 3.497 3.377 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
101 1 15 ILE HA 1 16 ILE QG 3.900 . 6.000 5.040 4.605 5.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
102 1 15 ILE HA 1 18 ASP H 3.400 . 5.000 4.061 3.150 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
103 1 15 ILE HA 1 18 ASP QB 4.760 . 5.000 3.454 2.372 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
104 1 15 ILE HB 1 15 ILE QG 5.000 2.400 5.000 2.365 2.153 2.541 0.247 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
105 1 15 ILE HB 1 16 ILE H 3.440 . 3.600 3.522 1.887 3.731 0.131 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
106 1 15 ILE QG 1 16 ILE H 3.600 . 5.000 1.902 1.647 2.278 0.153 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
107 1 15 ILE QG 1 16 ILE HA 3.400 . 5.000 3.012 2.723 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
108 1 15 ILE QG 1 16 ILE HB 3.400 . 5.000 3.798 3.393 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
109 1 16 ILE H 1 16 ILE HB 3.090 . 3.600 2.889 2.480 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
110 1 16 ILE H 1 16 ILE QG 3.730 . 5.000 2.242 1.760 2.793 0.040 75 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
111 1 16 ILE H 1 16 ILE QG 3.620 . 5.000 2.206 1.736 2.722 0.064 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
112 1 16 ILE H 1 17 LEU H 3.390 . 3.600 2.705 2.369 3.712 0.112 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
113 1 16 ILE H 1 18 ASP H 3.740 . 5.000 4.258 3.493 4.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
114 1 16 ILE H 1 19 ALA HA 3.900 . 6.000 6.049 5.462 6.166 0.166 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
115 1 16 ILE H 1 19 ALA MB 3.400 . 5.000 3.879 2.669 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
116 1 16 ILE HA 1 16 ILE QG 3.440 . 3.600 2.725 2.296 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
117 1 16 ILE HA 1 16 ILE QG 3.040 . 3.600 2.127 1.944 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
118 1 16 ILE HA 1 17 LEU H 4.500 . 5.000 3.548 3.461 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
119 1 16 ILE HA 1 18 ASP H 3.400 . 5.000 4.823 3.481 5.023 0.023 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
120 1 16 ILE HA 1 19 ALA MB 3.400 . 5.000 2.074 1.728 2.821 0.072 75 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
121 1 16 ILE HB 1 17 LEU H 3.510 . 3.600 2.664 1.947 3.667 0.067 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
122 1 16 ILE HB 1 17 LEU HA 3.710 . 5.000 4.162 3.871 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
123 1 16 ILE HB 1 19 ALA MB 3.900 . 6.000 4.344 3.532 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
124 1 16 ILE QG 1 19 ALA MB 3.900 . 6.000 4.101 3.501 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
125 1 17 LEU H 1 17 LEU QB 2.940 . 3.600 2.401 2.031 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
126 1 17 LEU H 1 17 LEU QD 3.760 . 5.000 2.736 1.574 3.726 0.226 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
127 1 17 LEU H 1 17 LEU HG 4.120 . 5.000 3.270 1.857 4.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
128 1 17 LEU H 1 18 ASP H 3.310 . 3.600 2.706 2.548 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
129 1 17 LEU HA 1 17 LEU QD 3.400 . 5.000 2.550 1.816 3.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
130 1 17 LEU HA 1 17 LEU HG 3.400 . 5.000 3.272 2.195 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
131 1 17 LEU HA 1 18 ASP H 4.300 . 5.000 3.531 3.241 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
132 1 17 LEU HA 1 20 GLY H 3.400 . 5.000 4.406 3.905 5.117 0.117 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
133 1 17 LEU HA 1 21 TYR H 4.080 . 5.000 3.863 2.790 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
134 1 17 LEU QB 1 18 ASP H 3.540 . 3.600 2.503 2.019 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
135 1 17 LEU HG 1 18 ASP H 3.890 . 5.000 3.713 1.803 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
136 1 18 ASP H 1 18 ASP QB . . 3.600 2.278 2.060 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
137 1 18 ASP H 1 19 ALA HA 3.400 . 5.000 4.962 4.192 5.069 0.069 85 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
138 1 18 ASP H 1 21 TYR HA 4.880 . 5.000 5.069 4.999 5.136 0.136 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
139 1 18 ASP HA 1 21 TYR H 4.430 . 5.000 3.804 2.862 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
140 1 18 ASP HA 1 21 TYR QB 4.290 . 5.000 3.975 3.267 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
141 1 18 ASP QB 1 19 ALA HA 4.980 . 5.000 4.134 3.952 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
142 1 19 ALA H 1 19 ALA MB 3.260 . 3.600 2.085 2.051 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
143 1 19 ALA H 1 21 TYR HA 3.400 . 5.000 4.667 4.426 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
144 1 20 GLY H 1 20 GLY QA . . 2.800 2.348 2.250 2.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
145 1 20 GLY H 1 21 TYR H 3.340 . 3.600 1.939 1.762 2.304 0.038 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
146 1 20 GLY H 1 23 LEU HA 3.900 . 6.000 5.952 5.438 6.145 0.145 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
147 1 20 GLY QA 1 21 TYR H . . 3.600 2.877 2.759 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
148 1 20 GLY QA 1 22 PHE H 3.400 . 5.000 3.224 2.857 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
149 1 21 TYR H 1 21 TYR HA . . 2.800 2.258 2.216 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
150 1 21 TYR H 1 21 TYR QB 2.960 . 3.600 3.080 3.004 3.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
151 1 21 TYR H 1 22 PHE H 2.700 . 3.600 3.250 2.744 3.725 0.125 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
152 1 21 TYR HA 1 22 PHE H 4.300 . 5.000 3.502 3.336 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
153 1 21 TYR HA 1 22 PHE QB 3.900 . 6.000 5.211 4.436 5.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
154 1 21 TYR HA 1 23 LEU HG 3.900 . 6.000 5.723 4.374 6.156 0.156 82 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
155 1 21 TYR HA 1 24 PRO HB2 3.900 . 6.000 5.926 5.085 6.132 0.132 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
156 1 21 TYR QB 1 22 PHE H . . 3.600 2.807 2.094 3.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
157 1 22 PHE H 1 22 PHE QB . . 3.600 2.383 2.147 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
158 1 23 LEU H 1 23 LEU QB 3.050 . 3.600 2.430 2.016 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
159 1 23 LEU H 1 23 LEU QD 4.200 . 5.000 3.054 1.870 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
160 1 23 LEU H 1 23 LEU HG 4.510 . 5.000 2.927 1.932 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
161 1 23 LEU HA 1 23 LEU QD . . 3.600 2.159 1.867 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
162 1 23 LEU HA 1 23 LEU HG . . 3.600 3.160 2.414 3.678 0.078 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
163 1 25 LEU H 1 26 ARG H . . 2.800 2.671 1.883 2.889 0.089 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
164 1 25 LEU H 1 26 ARG QG 3.900 . 6.000 4.768 3.558 5.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
165 1 25 LEU HA 1 26 ARG H 4.220 . 5.000 3.140 2.267 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
166 1 25 LEU HA 1 26 ARG HE 3.400 . 5.000 4.684 2.609 5.094 0.094 74 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
167 1 25 LEU QB 1 26 ARG QB 3.400 . 5.000 3.847 3.364 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
168 1 26 ARG H 1 26 ARG QB 3.400 . 5.000 2.934 2.226 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
169 1 26 ARG H 1 26 ARG QG 3.400 . 5.000 2.737 1.868 4.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:45:41 AM GMT (wattos1)