NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385316 |
1kz2   |
5290 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kz2
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 230
_Distance_constraint_stats_list.Viol_count 3267
_Distance_constraint_stats_list.Viol_total 11877.766
_Distance_constraint_stats_list.Viol_max 0.387
_Distance_constraint_stats_list.Viol_rms 0.0621
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0340
_Distance_constraint_stats_list.Viol_average_violations_only 0.0932
_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 ARG 3.210 0.321 33 0 "[ . 1 . 2 . 3 . ]"
1 2 GLN 32.145 0.235 6 0 "[ . 1 . 2 . 3 . ]"
1 3 ILE 34.812 0.287 28 0 "[ . 1 . 2 . 3 . ]"
1 4 LYS 34.635 0.347 8 0 "[ . 1 . 2 . 3 . ]"
1 5 ILE 36.878 0.236 31 0 "[ . 1 . 2 . 3 . ]"
1 6 PHE 29.651 0.255 6 0 "[ . 1 . 2 . 3 . ]"
1 7 PHE 16.419 0.141 12 0 "[ . 1 . 2 . 3 . ]"
1 8 GLN 31.268 0.347 8 0 "[ . 1 . 2 . 3 . ]"
1 9 ASN 12.989 0.172 11 0 "[ . 1 . 2 . 3 . ]"
1 10 ARG 43.370 0.359 2 0 "[ . 1 . 2 . 3 . ]"
1 11 ARG 37.262 0.387 14 0 "[ . 1 . 2 . 3 . ]"
1 12 MET 40.194 0.253 9 0 "[ . 1 . 2 . 3 . ]"
1 13 LYS 28.967 0.273 14 0 "[ . 1 . 2 . 3 . ]"
1 14 PHE 24.469 0.187 39 0 "[ . 1 . 2 . 3 . ]"
1 15 LYS 25.750 0.215 16 0 "[ . 1 . 2 . 3 . ]"
1 16 LYS 32.700 0.284 24 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 1 ARG HA 1 1 ARG HB2 1.800 . 2.500 2.487 2.405 2.790 0.290 33 0 "[ . 1 . 2 . 3 . ]" 1
2 1 1 ARG HA 1 1 ARG HB3 1.800 . 2.500 2.477 2.300 2.821 0.321 33 0 "[ . 1 . 2 . 3 . ]" 1
3 1 1 ARG HA 1 2 GLN H 1.800 . 3.500 3.281 2.572 3.575 0.075 6 0 "[ . 1 . 2 . 3 . ]" 1
4 1 1 ARG HA 1 2 GLN HG2 1.800 . 5.000 5.022 4.883 5.052 0.052 25 0 "[ . 1 . 2 . 3 . ]" 1
5 1 1 ARG HB2 1 1 ARG QD 1.800 . 3.500 2.697 1.967 3.275 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 1 ARG HB2 1 1 ARG HE 1.800 . 3.500 2.872 1.978 3.537 0.037 5 0 "[ . 1 . 2 . 3 . ]" 1
7 1 1 ARG HB3 1 1 ARG QD 1.800 . 3.500 2.521 1.944 3.158 . 0 0 "[ . 1 . 2 . 3 . ]" 1
8 1 1 ARG HB3 1 1 ARG HE 1.800 . 3.500 2.864 1.925 3.510 0.010 25 0 "[ . 1 . 2 . 3 . ]" 1
9 1 1 ARG HE 1 1 ARG QG 1.800 . 3.500 2.549 2.003 3.062 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 1 ARG QG 1 2 GLN H 1.800 . 3.500 2.263 1.728 3.223 0.072 3 0 "[ . 1 . 2 . 3 . ]" 1
11 1 2 GLN H 1 2 GLN HB2 1.800 . 2.500 2.532 2.329 2.592 0.092 6 0 "[ . 1 . 2 . 3 . ]" 1
12 1 2 GLN H 1 2 GLN HB3 1.800 . 3.500 3.670 3.585 3.693 0.193 6 0 "[ . 1 . 2 . 3 . ]" 1
13 1 2 GLN H 1 2 GLN HG2 1.800 . 5.000 4.083 3.811 4.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 2 GLN H 1 2 GLN HG3 1.800 . 3.500 3.401 2.798 3.529 0.029 9 0 "[ . 1 . 2 . 3 . ]" 1
15 1 2 GLN H 1 3 ILE H 1.800 . 3.500 2.152 1.909 2.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 2 GLN H 1 3 ILE MD 1.800 . 5.000 3.528 1.893 4.195 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 2 GLN H 1 3 ILE HG12 1.800 . 5.000 3.539 3.038 4.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 2 GLN H 1 3 ILE HG13 1.800 . 5.000 3.225 2.599 4.804 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 2 GLN H 1 4 LYS H 1.800 . 5.000 3.352 2.986 3.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 2 GLN H 1 5 ILE MD 1.800 . 5.000 4.073 3.952 4.215 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 2 GLN HA 1 2 GLN HB3 1.800 . 2.500 2.539 2.507 2.572 0.072 30 0 "[ . 1 . 2 . 3 . ]" 1
22 1 2 GLN HA 1 2 GLN HG2 1.800 . 3.500 2.206 2.137 2.368 . 0 0 "[ . 1 . 2 . 3 . ]" 1
23 1 2 GLN HA 1 2 GLN HG3 1.800 . 3.500 3.038 2.899 3.247 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 2 GLN HA 1 3 ILE H 1.800 . 3.500 3.578 3.565 3.597 0.097 6 0 "[ . 1 . 2 . 3 . ]" 1
25 1 2 GLN HA 1 5 ILE HB 1.800 . 2.500 2.306 1.947 2.607 0.107 13 0 "[ . 1 . 2 . 3 . ]" 1
26 1 2 GLN HA 1 5 ILE HG12 1.800 . 3.500 1.842 1.777 1.934 0.023 7 0 "[ . 1 . 2 . 3 . ]" 1
27 1 2 GLN HA 1 5 ILE HG13 1.800 . 3.500 3.026 2.481 3.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 2 GLN HA 1 5 ILE MG 1.800 . 5.000 3.448 3.031 3.785 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 2 GLN HB2 1 2 GLN HG3 1.800 . 2.500 2.378 2.313 2.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 2 GLN HB2 1 3 ILE H 1.800 . 3.500 2.440 2.170 2.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 2 GLN HB3 1 2 GLN HG2 1.800 . 2.500 2.563 2.491 2.642 0.142 25 0 "[ . 1 . 2 . 3 . ]" 1
32 1 2 GLN HB3 1 3 ILE H 1.800 . 3.500 3.156 2.793 3.517 0.017 35 0 "[ . 1 . 2 . 3 . ]" 1
33 1 2 GLN HB3 1 4 LYS H 1.800 . 5.000 5.158 5.122 5.186 0.186 21 0 "[ . 1 . 2 . 3 . ]" 1
34 1 2 GLN HB3 1 5 ILE HB 1.800 . 3.500 3.452 3.079 3.735 0.235 6 0 "[ . 1 . 2 . 3 . ]" 1
35 1 2 GLN HB3 1 5 ILE HG13 1.800 . 5.000 5.073 5.023 5.140 0.140 7 0 "[ . 1 . 2 . 3 . ]" 1
36 1 2 GLN HG2 1 3 ILE H 1.800 . 5.000 4.823 4.665 5.029 0.029 36 0 "[ . 1 . 2 . 3 . ]" 1
37 1 2 GLN HG3 1 3 ILE H 1.800 . 5.000 4.466 4.349 4.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 3 ILE H 1 3 ILE HA 1.800 . 2.500 2.707 2.680 2.751 0.251 22 0 "[ . 1 . 2 . 3 . ]" 1
39 1 3 ILE H 1 3 ILE HB 1.800 . 3.500 3.545 3.522 3.564 0.064 7 0 "[ . 1 . 2 . 3 . ]" 1
40 1 3 ILE H 1 3 ILE MD 1.800 . 5.000 3.145 1.756 3.647 0.044 13 0 "[ . 1 . 2 . 3 . ]" 1
41 1 3 ILE H 1 3 ILE HG13 1.800 . 3.500 2.523 1.990 3.716 0.216 4 0 "[ . 1 . 2 . 3 . ]" 1
42 1 3 ILE HA 1 3 ILE HB 1.800 . 2.500 2.575 2.409 2.653 0.153 32 0 "[ . 1 . 2 . 3 . ]" 1
43 1 3 ILE HA 1 3 ILE MD 1.800 . 5.000 3.902 3.471 4.057 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 3 ILE HA 1 3 ILE HG12 1.800 . 3.500 3.720 3.611 3.787 0.287 28 0 "[ . 1 . 2 . 3 . ]" 1
45 1 3 ILE HA 1 4 LYS H 1.800 . 3.500 3.535 3.494 3.555 0.055 18 0 "[ . 1 . 2 . 3 . ]" 1
46 1 3 ILE HA 1 6 PHE H 1.800 . 3.500 3.583 3.433 3.667 0.167 30 0 "[ . 1 . 2 . 3 . ]" 1
47 1 3 ILE HA 1 7 PHE H 1.800 . 5.000 4.878 4.600 5.055 0.055 7 0 "[ . 1 . 2 . 3 . ]" 1
48 1 3 ILE MD 1 4 LYS H 1.800 . 3.500 2.604 1.608 2.995 0.192 4 0 "[ . 1 . 2 . 3 . ]" 1
49 1 3 ILE MD 1 4 LYS HA 1.800 . 5.000 4.060 3.853 4.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 3 ILE HG12 1 4 LYS H 1.800 . 5.000 3.160 2.080 3.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 3 ILE HG13 1 4 LYS H 1.800 . 3.500 2.264 1.777 3.603 0.103 13 0 "[ . 1 . 2 . 3 . ]" 1
52 1 4 LYS H 1 4 LYS HB2 1.800 . 2.500 2.119 1.993 2.523 0.023 10 0 "[ . 1 . 2 . 3 . ]" 1
53 1 4 LYS H 1 4 LYS HD2 1.800 . 2.500 2.553 2.512 2.644 0.144 8 0 "[ . 1 . 2 . 3 . ]" 1
54 1 4 LYS H 1 4 LYS HD3 1.800 . 3.500 2.277 1.984 3.642 0.142 11 0 "[ . 1 . 2 . 3 . ]" 1
55 1 4 LYS H 1 4 LYS QG 1.800 . 3.500 3.271 1.948 3.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 4 LYS H 1 5 ILE H 1.800 . 2.500 2.501 2.415 2.557 0.057 24 0 "[ . 1 . 2 . 3 . ]" 1
57 1 4 LYS H 1 6 PHE H 1.800 . 5.000 3.876 3.745 4.013 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 4 LYS H 1 7 PHE H 1.800 . 5.000 4.657 4.519 4.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 4 LYS H 1 7 PHE HB2 1.800 . 5.000 5.044 5.007 5.078 0.078 34 0 "[ . 1 . 2 . 3 . ]" 1
60 1 4 LYS HA 1 4 LYS HD3 1.800 . 3.500 3.495 3.427 3.545 0.045 22 0 "[ . 1 . 2 . 3 . ]" 1
61 1 4 LYS HA 1 6 PHE H 1.800 . 3.500 3.728 3.706 3.755 0.255 6 0 "[ . 1 . 2 . 3 . ]" 1
62 1 4 LYS HA 1 7 PHE HB2 1.800 . 2.500 2.454 2.332 2.551 0.051 4 0 "[ . 1 . 2 . 3 . ]" 1
63 1 4 LYS HB3 1 8 GLN HB3 1.800 . 5.000 4.528 4.447 4.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 4 LYS HB3 1 8 GLN HG3 1.800 . 3.500 1.776 1.734 1.821 0.066 30 0 "[ . 1 . 2 . 3 . ]" 1
65 1 4 LYS HD2 1 8 GLN HG3 1.800 . 5.000 4.998 4.402 5.095 0.095 22 0 "[ . 1 . 2 . 3 . ]" 1
66 1 4 LYS HD3 1 8 GLN HG3 1.800 . 5.000 5.172 5.100 5.347 0.347 8 0 "[ . 1 . 2 . 3 . ]" 1
67 1 4 LYS HG3 1 8 GLN HG3 1.800 . 5.000 3.568 3.408 4.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 5 ILE H 1 5 ILE HB 1.800 . 3.500 2.352 2.208 2.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 5 ILE H 1 5 ILE MD 1.800 . 3.500 1.884 1.663 2.154 0.137 10 0 "[ . 1 . 2 . 3 . ]" 1
70 1 5 ILE H 1 5 ILE HG13 1.800 . 3.500 3.601 3.435 3.736 0.236 31 0 "[ . 1 . 2 . 3 . ]" 1
71 1 5 ILE H 1 6 PHE H 1.800 . 2.500 2.611 2.601 2.622 0.122 35 0 "[ . 1 . 2 . 3 . ]" 1
72 1 5 ILE H 1 6 PHE HB2 1.800 . 5.000 4.471 4.335 4.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 5 ILE HA 1 5 ILE MD 1.800 . 2.500 1.820 1.780 1.854 0.020 8 0 "[ . 1 . 2 . 3 . ]" 1
74 1 5 ILE HA 1 5 ILE HG12 1.800 . 3.500 3.559 3.457 3.639 0.139 28 0 "[ . 1 . 2 . 3 . ]" 1
75 1 5 ILE HA 1 6 PHE H 1.800 . 5.000 3.480 3.467 3.496 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 5 ILE HA 1 8 GLN H 1.800 . 5.000 3.568 3.465 3.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 5 ILE HA 1 8 GLN HB2 1.800 . 5.000 2.051 1.993 2.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 5 ILE HA 1 8 GLN HB3 1.800 . 3.500 3.547 3.530 3.573 0.073 17 0 "[ . 1 . 2 . 3 . ]" 1
79 1 5 ILE HA 1 8 GLN HG3 1.800 . 3.500 3.474 3.357 3.610 0.110 10 0 "[ . 1 . 2 . 3 . ]" 1
80 1 5 ILE HB 1 6 PHE H 1.800 . 2.500 2.684 2.663 2.713 0.213 11 0 "[ . 1 . 2 . 3 . ]" 1
81 1 5 ILE MD 1 6 PHE H 1.800 . 5.000 3.910 3.781 4.060 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 5 ILE MD 1 8 GLN H 1.800 . 5.000 4.134 4.075 4.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 5 ILE MD 1 8 GLN HB2 1.800 . 5.000 2.871 2.755 2.986 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 5 ILE HG12 1 6 PHE H 1.800 . 5.000 4.479 4.050 4.851 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 5 ILE HG13 1 6 PHE H 1.800 . 5.000 5.096 5.059 5.128 0.128 8 0 "[ . 1 . 2 . 3 . ]" 1
86 1 5 ILE MG 1 6 PHE HA 1.800 . 5.000 3.661 3.388 3.966 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 6 PHE H 1 6 PHE HB2 1.800 . 2.500 2.107 1.987 2.453 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 6 PHE H 1 8 GLN H 1.800 . 5.000 3.912 3.754 4.065 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 6 PHE HA 1 9 ASN HB2 1.800 . 3.500 3.550 3.507 3.633 0.133 11 0 "[ . 1 . 2 . 3 . ]" 1
90 1 6 PHE HA 1 9 ASN HB3 1.800 . 3.500 3.433 3.260 3.535 0.035 1 0 "[ . 1 . 2 . 3 . ]" 1
91 1 7 PHE H 1 7 PHE HB2 1.800 . 2.500 2.067 2.012 2.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 7 PHE HA 1 8 GLN H 1.800 . 3.500 3.574 3.552 3.592 0.092 12 0 "[ . 1 . 2 . 3 . ]" 1
93 1 7 PHE HA 1 10 ARG H 1.800 . 3.500 3.526 3.384 3.614 0.114 6 0 "[ . 1 . 2 . 3 . ]" 1
94 1 7 PHE HA 1 10 ARG HB2 1.800 . 3.500 3.377 2.956 3.639 0.139 29 0 "[ . 1 . 2 . 3 . ]" 1
95 1 7 PHE HA 1 10 ARG HG2 1.800 . 3.500 3.568 3.517 3.641 0.141 12 0 "[ . 1 . 2 . 3 . ]" 1
96 1 7 PHE HA 1 10 ARG HG3 1.800 . 3.500 2.773 1.961 3.613 0.113 9 0 "[ . 1 . 2 . 3 . ]" 1
97 1 7 PHE HA 1 11 ARG H 1.800 . 5.000 4.828 4.501 5.035 0.035 14 0 "[ . 1 . 2 . 3 . ]" 1
98 1 7 PHE HB3 1 8 GLN H 1.800 . 2.500 2.568 2.533 2.592 0.092 4 0 "[ . 1 . 2 . 3 . ]" 1
99 1 7 PHE HB3 1 10 ARG H 1.800 . 5.000 4.742 4.645 4.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 8 GLN H 1 8 GLN HB2 1.800 . 2.500 2.407 2.311 2.464 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 8 GLN H 1 8 GLN HB3 1.800 . 3.500 3.516 3.495 3.527 0.027 27 0 "[ . 1 . 2 . 3 . ]" 1
102 1 8 GLN H 1 8 GLN HG3 1.800 . 2.500 2.103 1.976 2.263 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 8 GLN H 1 9 ASN HB2 1.800 . 5.000 4.952 4.827 5.034 0.034 7 0 "[ . 1 . 2 . 3 . ]" 1
104 1 8 GLN H 1 9 ASN HB3 1.800 . 5.000 4.898 4.783 5.025 0.025 11 0 "[ . 1 . 2 . 3 . ]" 1
105 1 8 GLN H 1 10 ARG H 1.800 . 5.000 3.954 3.869 4.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 8 GLN H 1 11 ARG QB 1.800 . 5.000 4.370 4.212 4.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 8 GLN H 1 11 ARG HG3 1.800 . 5.000 3.986 2.983 5.014 0.014 31 0 "[ . 1 . 2 . 3 . ]" 1
108 1 8 GLN HA 1 8 GLN HB3 1.800 . 2.500 2.519 2.498 2.537 0.037 22 0 "[ . 1 . 2 . 3 . ]" 1
109 1 8 GLN HA 1 8 GLN HG2 1.800 . 2.500 2.285 2.187 2.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1
110 1 8 GLN HA 1 9 ASN H 1.800 . 3.500 3.520 3.508 3.529 0.029 25 0 "[ . 1 . 2 . 3 . ]" 1
111 1 8 GLN HA 1 10 ARG H 1.800 . 5.000 3.404 3.331 3.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 8 GLN HA 1 11 ARG H 1.800 . 3.500 2.782 2.694 2.955 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 8 GLN HA 1 12 MET H 1.800 . 3.500 2.646 2.429 2.897 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 8 GLN HB2 1 8 GLN HG3 1.800 . 2.500 2.389 2.358 2.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 8 GLN HB2 1 9 ASN HA 1.800 . 5.000 4.409 4.371 4.453 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 8 GLN HB2 1 10 ARG H 1.800 . 5.000 4.582 4.542 4.673 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 8 GLN HB2 1 13 LYS HD3 1.800 . 5.000 5.137 5.107 5.192 0.192 17 0 "[ . 1 . 2 . 3 . ]" 1
118 1 8 GLN HB2 1 13 LYS HG2 1.800 . 5.000 5.013 4.961 5.057 0.057 29 0 "[ . 1 . 2 . 3 . ]" 1
119 1 8 GLN HB3 1 8 GLN HG2 1.800 . 2.500 2.574 2.529 2.616 0.116 8 0 "[ . 1 . 2 . 3 . ]" 1
120 1 8 GLN HB3 1 9 ASN HA 1.800 . 5.000 4.546 4.416 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 8 GLN HB3 1 10 ARG H 1.800 . 5.000 4.853 4.814 4.991 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 8 GLN HB3 1 11 ARG H 1.800 . 5.000 4.648 4.500 4.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 8 GLN HB3 1 12 MET H 1.800 . 5.000 3.933 3.595 4.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 8 GLN HG2 1 11 ARG H 1.800 . 5.000 5.052 5.005 5.121 0.121 11 0 "[ . 1 . 2 . 3 . ]" 1
125 1 9 ASN H 1 9 ASN HB2 1.800 . 2.500 2.366 2.275 2.441 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 9 ASN H 1 9 ASN HB3 1.800 . 2.500 2.487 2.417 2.547 0.047 24 0 "[ . 1 . 2 . 3 . ]" 1
127 1 9 ASN H 1 10 ARG H 1.800 . 2.500 2.623 2.561 2.641 0.141 16 0 "[ . 1 . 2 . 3 . ]" 1
128 1 9 ASN HA 1 9 ASN HB2 1.800 . 2.500 2.509 2.476 2.549 0.049 24 0 "[ . 1 . 2 . 3 . ]" 1
129 1 9 ASN HA 1 10 ARG H 1.800 . 3.500 3.389 3.378 3.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 9 ASN HA 1 11 ARG H 1.800 . 5.000 4.260 4.216 4.383 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 9 ASN HA 1 12 MET H 1.800 . 5.000 4.688 4.494 4.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 9 ASN HA 1 12 MET HG2 1.800 . 5.000 4.851 4.501 5.172 0.172 11 0 "[ . 1 . 2 . 3 . ]" 1
133 1 9 ASN HB2 1 10 ARG H 1.800 . 5.000 4.117 4.052 4.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 9 ASN HB3 1 10 ARG H 1.800 . 3.500 3.177 3.144 3.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 9 ASN HB3 1 10 ARG HA 1.800 . 5.000 4.669 4.624 4.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 9 ASN HB3 1 11 ARG H 1.800 . 5.000 5.058 5.011 5.101 0.101 11 0 "[ . 1 . 2 . 3 . ]" 1
137 1 10 ARG H 1 10 ARG HB2 1.800 . 3.500 2.931 2.618 3.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 10 ARG H 1 10 ARG HG2 1.800 . 2.500 2.525 2.447 2.577 0.077 27 0 "[ . 1 . 2 . 3 . ]" 1
139 1 10 ARG H 1 11 ARG H 1.800 . 2.500 1.982 1.912 2.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 10 ARG H 1 11 ARG HA 1.800 . 5.000 4.622 4.597 4.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 10 ARG H 1 12 MET H 1.800 . 3.500 3.670 3.590 3.716 0.216 38 0 "[ . 1 . 2 . 3 . ]" 1
142 1 10 ARG HA 1 10 ARG HB3 1.800 . 2.500 2.334 2.260 2.415 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 10 ARG HA 1 10 ARG HG2 1.800 . 3.500 3.068 2.928 3.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 10 ARG HA 1 10 ARG HG3 1.800 . 3.500 3.738 3.655 3.813 0.313 11 0 "[ . 1 . 2 . 3 . ]" 1
145 1 10 ARG HA 1 11 ARG H 1.800 . 3.500 3.309 3.245 3.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 10 ARG HA 1 12 MET H 1.800 . 5.000 4.840 4.620 5.045 0.045 19 0 "[ . 1 . 2 . 3 . ]" 1
147 1 10 ARG HA 1 13 LYS HG3 1.800 . 5.000 5.053 5.020 5.089 0.089 25 0 "[ . 1 . 2 . 3 . ]" 1
148 1 10 ARG HD2 1 10 ARG HE 1.800 . 2.500 2.582 2.343 2.858 0.358 13 0 "[ . 1 . 2 . 3 . ]" 1
149 1 10 ARG HD3 1 10 ARG HE 1.800 . 2.500 2.567 2.335 2.859 0.359 2 0 "[ . 1 . 2 . 3 . ]" 1
150 1 11 ARG H 1 11 ARG QB 1.800 . 3.500 2.604 2.374 2.759 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 11 ARG H 1 11 ARG HG2 1.800 . 3.500 2.830 2.208 3.632 0.132 14 0 "[ . 1 . 2 . 3 . ]" 1
152 1 11 ARG H 1 11 ARG HG3 1.800 . 2.500 2.675 2.572 2.759 0.259 31 0 "[ . 1 . 2 . 3 . ]" 1
153 1 11 ARG H 1 12 MET H 1.800 . 3.500 1.976 1.854 2.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 11 ARG H 1 12 MET HB3 1.800 . 5.000 5.037 5.018 5.081 0.081 14 0 "[ . 1 . 2 . 3 . ]" 1
155 1 11 ARG H 1 12 MET HG2 1.800 . 5.000 3.537 3.473 3.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 11 ARG H 1 12 MET HG3 1.800 . 3.500 3.363 3.125 3.603 0.103 1 0 "[ . 1 . 2 . 3 . ]" 1
157 1 11 ARG H 1 13 LYS H 1.800 . 3.500 2.954 2.832 3.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 11 ARG H 1 14 PHE HB2 1.800 . 3.500 3.552 3.524 3.638 0.138 10 0 "[ . 1 . 2 . 3 . ]" 1
159 1 11 ARG H 1 14 PHE HB3 1.800 . 5.000 5.127 5.073 5.157 0.157 29 0 "[ . 1 . 2 . 3 . ]" 1
160 1 11 ARG HA 1 11 ARG QB 1.800 . 2.500 2.222 2.187 2.264 . 0 0 "[ . 1 . 2 . 3 . ]" 1
161 1 11 ARG HA 1 12 MET H 1.800 . 3.500 3.517 3.489 3.535 0.035 15 0 "[ . 1 . 2 . 3 . ]" 1
162 1 11 ARG HA 1 14 PHE HB2 1.800 . 2.500 2.574 2.524 2.617 0.117 31 0 "[ . 1 . 2 . 3 . ]" 1
163 1 11 ARG QB 1 11 ARG HD2 1.800 . 3.500 2.367 2.261 3.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 11 ARG QB 1 11 ARG HD3 1.800 . 3.500 3.298 3.178 3.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 11 ARG QB 1 12 MET H 1.800 . 3.500 2.782 2.153 3.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 11 ARG QB 1 12 MET HG2 1.800 . 5.000 3.653 3.086 4.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1
167 1 11 ARG QB 1 12 MET HG3 1.800 . 5.000 4.440 4.153 4.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1
168 1 11 ARG HB3 1 11 ARG HE 1.800 . 3.500 2.788 1.934 3.526 0.026 24 0 "[ . 1 . 2 . 3 . ]" 1
169 1 11 ARG HD2 1 11 ARG HE 1.800 . 2.500 2.578 2.556 2.607 0.107 10 0 "[ . 1 . 2 . 3 . ]" 1
170 1 11 ARG HD2 1 11 ARG HG2 1.800 . 2.500 2.448 2.236 2.544 0.044 11 0 "[ . 1 . 2 . 3 . ]" 1
171 1 11 ARG HD3 1 11 ARG HG2 1.800 . 2.500 2.507 2.405 2.887 0.387 14 0 "[ . 1 . 2 . 3 . ]" 1
172 1 11 ARG HD3 1 11 ARG HG3 1.800 . 2.500 2.438 2.242 2.537 0.037 11 0 "[ . 1 . 2 . 3 . ]" 1
173 1 11 ARG HE 1 11 ARG HG2 1.800 . 3.500 3.595 2.994 3.624 0.124 8 0 "[ . 1 . 2 . 3 . ]" 1
174 1 11 ARG HE 1 11 ARG HG3 1.800 . 3.500 2.910 2.614 3.642 0.142 14 0 "[ . 1 . 2 . 3 . ]" 1
175 1 11 ARG HG2 1 12 MET H 1.800 . 3.500 3.490 2.823 3.753 0.253 9 0 "[ . 1 . 2 . 3 . ]" 1
176 1 11 ARG HG3 1 12 MET H 1.800 . 3.500 2.541 1.768 3.463 0.032 11 0 "[ . 1 . 2 . 3 . ]" 1
177 1 12 MET H 1 12 MET HB2 1.800 . 3.500 3.559 3.535 3.583 0.083 6 0 "[ . 1 . 2 . 3 . ]" 1
178 1 12 MET H 1 12 MET HB3 1.800 . 3.500 3.103 2.944 3.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 12 MET H 1 12 MET HG2 1.800 . 3.500 2.086 1.917 2.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 12 MET H 1 12 MET HG3 1.800 . 3.500 2.009 1.799 2.271 0.001 11 0 "[ . 1 . 2 . 3 . ]" 1
181 1 12 MET H 1 13 LYS H 1.800 . 2.500 2.170 2.006 2.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 12 MET H 1 13 LYS HG2 1.800 . 5.000 3.418 3.194 3.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 12 MET H 1 14 PHE HB2 1.800 . 5.000 3.929 3.735 4.151 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 12 MET HA 1 12 MET HB3 1.800 . 2.500 2.337 2.305 2.361 . 0 0 "[ . 1 . 2 . 3 . ]" 1
185 1 12 MET HA 1 12 MET HG2 1.800 . 3.500 3.698 3.654 3.720 0.220 20 0 "[ . 1 . 2 . 3 . ]" 1
186 1 12 MET HA 1 12 MET HG3 1.800 . 3.500 3.570 3.525 3.597 0.097 12 0 "[ . 1 . 2 . 3 . ]" 1
187 1 12 MET HA 1 13 LYS H 1.800 . 3.500 3.514 3.476 3.526 0.026 11 0 "[ . 1 . 2 . 3 . ]" 1
188 1 12 MET HA 1 15 LYS H 1.800 . 3.500 3.446 3.379 3.577 0.077 14 0 "[ . 1 . 2 . 3 . ]" 1
189 1 12 MET HA 1 15 LYS HB2 1.800 . 5.000 5.111 5.075 5.138 0.138 21 0 "[ . 1 . 2 . 3 . ]" 1
190 1 12 MET HA 1 15 LYS QD 1.800 . 3.500 2.455 1.755 3.040 0.045 14 0 "[ . 1 . 2 . 3 . ]" 1
191 1 12 MET HA 1 15 LYS QG 1.800 . 3.500 2.519 2.313 3.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 12 MET HB2 1 12 MET HG3 1.800 . 2.500 2.596 2.565 2.632 0.132 11 0 "[ . 1 . 2 . 3 . ]" 1
193 1 12 MET HB2 1 13 LYS H 1.800 . 3.500 3.533 3.474 3.632 0.132 12 0 "[ . 1 . 2 . 3 . ]" 1
194 1 12 MET HB3 1 13 LYS H 1.800 . 5.000 4.110 4.061 4.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 12 MET HG2 1 13 LYS H 1.800 . 5.000 3.364 3.163 3.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1
196 1 12 MET HG3 1 13 LYS H 1.800 . 5.000 1.913 1.818 2.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 13 LYS H 1 13 LYS HB2 1.800 . 2.500 2.603 2.585 2.630 0.130 14 0 "[ . 1 . 2 . 3 . ]" 1
198 1 13 LYS H 1 13 LYS HB3 1.800 . 3.500 3.536 3.530 3.547 0.047 12 0 "[ . 1 . 2 . 3 . ]" 1
199 1 13 LYS H 1 13 LYS HD2 1.800 . 3.500 2.620 2.509 2.784 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 13 LYS H 1 13 LYS HG2 1.800 . 3.500 1.967 1.917 2.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 13 LYS H 1 13 LYS HG3 1.800 . 3.500 3.457 3.438 3.482 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 13 LYS HA 1 13 LYS HD2 1.800 . 3.500 1.975 1.872 2.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 13 LYS HA 1 13 LYS HG3 1.800 . 3.500 3.724 3.701 3.773 0.273 14 0 "[ . 1 . 2 . 3 . ]" 1
204 1 13 LYS HA 1 15 LYS H 1.800 . 3.500 3.613 3.570 3.712 0.212 39 0 "[ . 1 . 2 . 3 . ]" 1
205 1 13 LYS HA 1 16 LYS H 1.800 . 3.500 2.901 2.823 3.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
206 1 13 LYS HE3 1 13 LYS HG2 1.800 . 3.500 3.459 3.370 3.524 0.024 11 0 "[ . 1 . 2 . 3 . ]" 1
207 1 13 LYS HE3 1 13 LYS HG3 1.800 . 3.500 2.150 2.004 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
208 1 14 PHE H 1 14 PHE HB2 1.800 . 2.500 1.941 1.909 2.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
209 1 14 PHE H 1 14 PHE HB3 1.800 . 3.500 2.947 2.749 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 14 PHE H 1 15 LYS H 1.800 . 3.500 2.399 2.348 2.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 14 PHE H 1 15 LYS HA 1.800 . 5.000 5.132 5.096 5.158 0.158 31 0 "[ . 1 . 2 . 3 . ]" 1
212 1 14 PHE H 1 16 LYS H 1.800 . 5.000 3.603 3.500 3.648 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 14 PHE HA 1 15 LYS HD2 1.800 . 5.000 5.063 4.788 5.187 0.187 39 0 "[ . 1 . 2 . 3 . ]" 1
214 1 14 PHE HB2 1 15 LYS H 1.800 . 3.500 3.543 3.523 3.606 0.106 10 0 "[ . 1 . 2 . 3 . ]" 1
215 1 14 PHE HB2 1 16 LYS H 1.800 . 5.000 5.131 5.109 5.173 0.173 10 0 "[ . 1 . 2 . 3 . ]" 1
216 1 14 PHE HB3 1 15 LYS H 1.800 . 3.500 3.247 2.948 3.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
217 1 15 LYS H 1 15 LYS QB 1.800 . 3.500 3.138 3.102 3.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 15 LYS H 1 15 LYS QD 1.800 . 3.500 2.944 1.927 3.201 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 15 LYS H 1 15 LYS QG 1.800 . 2.500 1.833 1.742 2.061 0.058 10 0 "[ . 1 . 2 . 3 . ]" 1
220 1 15 LYS H 1 16 LYS H 1.800 . 2.500 1.829 1.741 1.860 0.059 10 0 "[ . 1 . 2 . 3 . ]" 1
221 1 15 LYS H 1 16 LYS HB3 1.800 . 3.500 3.671 3.650 3.715 0.215 16 0 "[ . 1 . 2 . 3 . ]" 1
222 1 15 LYS HA 1 16 LYS H 1.800 . 3.500 3.220 3.185 3.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 16 LYS H 1 16 LYS HA 1.800 . 2.500 2.762 2.456 2.784 0.284 24 0 "[ . 1 . 2 . 3 . ]" 1
224 1 16 LYS H 1 16 LYS HB2 1.800 . 3.500 3.482 3.470 3.666 0.166 10 0 "[ . 1 . 2 . 3 . ]" 1
225 1 16 LYS H 1 16 LYS HB3 1.800 . 2.500 2.353 2.327 2.549 0.049 10 0 "[ . 1 . 2 . 3 . ]" 1
226 1 16 LYS H 1 16 LYS HD2 1.800 . 3.500 3.599 3.561 3.617 0.117 24 0 "[ . 1 . 2 . 3 . ]" 1
227 1 16 LYS H 1 16 LYS HG3 1.800 . 2.500 1.919 1.881 2.347 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 16 LYS HA 1 16 LYS HB2 1.800 . 2.500 2.482 2.474 2.552 0.052 10 0 "[ . 1 . 2 . 3 . ]" 1
229 1 16 LYS HA 1 16 LYS HB3 1.800 . 2.500 2.427 2.323 2.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 16 LYS HA 1 16 LYS HD3 1.800 . 3.500 3.666 3.653 3.734 0.234 10 0 "[ . 1 . 2 . 3 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 8:26:01 AM GMT (wattos1)