NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371451 |
1ckz   |
4595 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ckz
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 190
_Distance_constraint_stats_list.Viol_count 295
_Distance_constraint_stats_list.Viol_total 231.351
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 2 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 3 GLY 0.251 0.147 1 0 "[ . 1 ]"
1 4 THR 0.735 0.147 1 0 "[ . 1 ]"
1 5 ILE 1.110 0.236 4 0 "[ . 1 ]"
1 6 LYS 0.835 0.230 5 0 "[ . 1 ]"
1 7 GLU 1.340 0.230 5 0 "[ . 1 ]"
1 8 ASN 2.135 0.490 7 0 "[ . 1 ]"
1 9 ILE 3.136 0.490 7 0 "[ . 1 ]"
1 10 ILE 3.691 0.226 12 0 "[ . 1 ]"
1 11 GLY 0.814 0.140 2 0 "[ . 1 ]"
1 12 VAL 1.166 0.291 3 0 "[ . 1 ]"
1 13 SER 0.805 0.219 3 0 "[ . 1 ]"
1 14 TYR 0.473 0.223 12 0 "[ . 1 ]"
1 15 ASP 1.149 0.147 9 0 "[ . 1 ]"
1 16 GLU 0.383 0.133 11 0 "[ . 1 ]"
1 17 TYR 1.571 0.275 8 0 "[ . 1 ]"
1 18 ARG 1.712 0.205 10 0 "[ . 1 ]"
1 19 TYR 0.891 0.124 11 0 "[ . 1 ]"
1 20 ARG 2.861 0.275 8 0 "[ . 1 ]"
1 21 SER 1.452 0.181 3 0 "[ . 1 ]"
1 22 VAL 2.388 0.232 8 0 "[ . 1 ]"
1 23 ILE 1.301 0.243 11 0 "[ . 1 ]"
1 24 LYS 0.346 0.098 2 0 "[ . 1 ]"
1 25 ALA 0.006 0.006 11 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 GLY H 1.800 . 2.800 2.483 2.217 2.793 . 0 0 "[ . 1 ]" 1
2 1 3 GLY H 1 4 THR H 1.800 . 5.000 3.803 1.891 4.566 . 0 0 "[ . 1 ]" 1
3 1 3 GLY H 1 5 ILE H 1.800 . 5.000 4.164 2.961 5.022 0.022 11 0 "[ . 1 ]" 1
4 1 3 GLY HA2 1 4 THR H 1.800 . 3.300 2.793 2.232 3.447 0.147 1 0 "[ . 1 ]" 1
5 1 3 GLY HA3 1 4 THR H 1.800 . 3.300 2.795 2.187 3.338 0.038 2 0 "[ . 1 ]" 1
6 1 4 THR H 1 4 THR HB 1.800 . 2.800 2.779 2.631 2.890 0.090 1 0 "[ . 1 ]" 1
7 1 4 THR H 1 4 THR MG 1.800 . 3.800 2.148 1.881 2.332 . 0 0 "[ . 1 ]" 1
8 1 4 THR H 1 5 ILE H 1.800 . 3.300 3.133 2.815 3.337 0.037 10 0 "[ . 1 ]" 1
9 1 4 THR HA 1 4 THR MG 1.800 . 3.800 3.181 3.172 3.196 . 0 0 "[ . 1 ]" 1
10 1 4 THR HA 1 5 ILE H 1.800 . 2.800 2.786 2.629 2.874 0.074 4 0 "[ . 1 ]" 1
11 1 4 THR HB 1 5 ILE H 1.800 . 5.000 4.640 4.557 4.669 . 0 0 "[ . 1 ]" 1
12 1 4 THR MG 1 5 ILE H 1.800 . 6.000 3.614 3.464 3.776 . 0 0 "[ . 1 ]" 1
13 1 5 ILE H 1 5 ILE HB 1.800 . 2.800 2.742 2.442 3.036 0.236 4 0 "[ . 1 ]" 1
14 1 5 ILE H 1 5 ILE MD 1.800 . 4.800 3.212 1.820 4.054 . 0 0 "[ . 1 ]" 1
15 1 5 ILE H 1 5 ILE HG12 1.800 . 5.000 3.731 1.903 5.084 0.084 5 0 "[ . 1 ]" 1
16 1 5 ILE H 1 5 ILE HG13 1.800 . 5.000 3.690 2.482 4.784 . 0 0 "[ . 1 ]" 1
17 1 5 ILE H 1 5 ILE MG 1.800 . 6.000 3.541 2.375 3.959 . 0 0 "[ . 1 ]" 1
18 1 5 ILE H 1 6 LYS H 1.800 . 3.300 3.192 2.880 3.375 0.075 1 0 "[ . 1 ]" 1
19 1 5 ILE HA 1 5 ILE MD 1.800 . 4.300 2.644 1.899 3.772 . 0 0 "[ . 1 ]" 1
20 1 5 ILE HA 1 5 ILE MG 1.800 . 6.000 2.511 2.044 3.201 . 0 0 "[ . 1 ]" 1
21 1 5 ILE HA 1 6 LYS H 1.800 . 2.800 2.708 2.514 2.829 0.029 12 0 "[ . 1 ]" 1
22 1 5 ILE HA 1 7 GLU H 1.800 . 5.000 4.186 3.527 4.941 . 0 0 "[ . 1 ]" 1
23 1 5 ILE HB 1 6 LYS H 1.800 . 5.000 4.415 4.207 4.658 . 0 0 "[ . 1 ]" 1
24 1 5 ILE MG 1 6 LYS H 1.800 . 6.000 3.896 3.627 4.174 . 0 0 "[ . 1 ]" 1
25 1 6 LYS H 1 6 LYS QG 1.800 . 5.500 3.333 1.925 4.307 . 0 0 "[ . 1 ]" 1
26 1 6 LYS H 1 7 GLU H 1.800 . 3.300 2.751 1.877 3.302 0.002 7 0 "[ . 1 ]" 1
27 1 6 LYS H 1 8 ASN H 1.800 . 5.000 4.698 3.320 5.080 0.080 1 0 "[ . 1 ]" 1
28 1 6 LYS HA 1 7 GLU H 1.800 . 2.800 2.717 2.325 3.030 0.230 5 0 "[ . 1 ]" 1
29 1 6 LYS QB 1 7 GLU H 1.800 . 5.500 3.884 3.630 4.068 . 0 0 "[ . 1 ]" 1
30 1 6 LYS QG 1 7 GLU H 1.800 . 5.500 4.343 3.769 4.545 . 0 0 "[ . 1 ]" 1
31 1 7 GLU H 1 7 GLU HG2 1.800 . 5.000 4.175 2.798 5.070 0.070 5 0 "[ . 1 ]" 1
32 1 7 GLU H 1 7 GLU HG3 1.800 . 5.000 3.697 2.567 4.531 . 0 0 "[ . 1 ]" 1
33 1 7 GLU H 1 8 ASN H 1.800 . 3.300 3.052 2.544 3.407 0.107 2 0 "[ . 1 ]" 1
34 1 7 GLU HA 1 7 GLU HG2 1.800 . 3.300 2.741 2.442 3.510 0.210 11 0 "[ . 1 ]" 1
35 1 7 GLU HA 1 7 GLU HG3 1.800 . 3.300 2.614 2.013 3.440 0.140 11 0 "[ . 1 ]" 1
36 1 7 GLU HA 1 8 ASN H 1.800 . 2.800 2.617 2.249 2.956 0.156 11 0 "[ . 1 ]" 1
37 1 7 GLU QB 1 8 ASN H 1.800 . 5.500 3.920 3.697 4.025 . 0 0 "[ . 1 ]" 1
38 1 7 GLU HG2 1 8 ASN H 1.800 . 5.000 4.779 3.751 5.029 0.029 7 0 "[ . 1 ]" 1
39 1 7 GLU HG3 1 8 ASN H 1.800 . 5.000 4.835 4.383 5.037 0.037 7 0 "[ . 1 ]" 1
40 1 8 ASN H 1 8 ASN HB2 1.800 . 2.800 2.687 2.357 2.830 0.030 9 0 "[ . 1 ]" 1
41 1 8 ASN H 1 8 ASN HB3 1.800 . 2.800 2.708 2.556 2.838 0.038 10 0 "[ . 1 ]" 1
42 1 8 ASN H 1 9 ILE H 1.800 . 3.300 3.143 2.899 3.485 0.185 7 0 "[ . 1 ]" 1
43 1 8 ASN H 1 10 ILE H 1.800 . 5.000 4.838 3.826 5.089 0.089 1 0 "[ . 1 ]" 1
44 1 8 ASN HA 1 9 ILE H 1.800 . 2.800 2.833 2.674 3.290 0.490 7 0 "[ . 1 ]" 1
45 1 8 ASN HA 1 10 ILE H 1.800 . 5.000 3.854 2.926 5.053 0.053 11 0 "[ . 1 ]" 1
46 1 8 ASN HB2 1 9 ILE H 1.800 . 5.000 4.516 3.258 4.650 . 0 0 "[ . 1 ]" 1
47 1 8 ASN HB3 1 9 ILE H 1.800 . 5.000 4.043 1.809 4.290 . 0 0 "[ . 1 ]" 1
48 1 9 ILE H 1 9 ILE HB 1.800 . 2.800 2.590 2.303 2.817 0.017 5 0 "[ . 1 ]" 1
49 1 9 ILE H 1 9 ILE MD 1.800 . 6.000 2.785 1.773 3.888 0.027 6 0 "[ . 1 ]" 1
50 1 9 ILE H 1 9 ILE HG12 1.800 . 5.000 3.466 1.873 4.805 . 0 0 "[ . 1 ]" 1
51 1 9 ILE H 1 9 ILE HG13 1.800 . 5.000 3.839 3.442 4.254 . 0 0 "[ . 1 ]" 1
52 1 9 ILE H 1 9 ILE MG 1.800 . 6.000 3.807 3.630 3.901 . 0 0 "[ . 1 ]" 1
53 1 9 ILE H 1 10 ILE H 1.800 . 3.300 2.219 1.850 2.740 . 0 0 "[ . 1 ]" 1
54 1 9 ILE H 1 11 GLY H 1.800 . 5.000 4.471 3.868 5.081 0.081 2 0 "[ . 1 ]" 1
55 1 9 ILE HA 1 9 ILE MD 1.800 . 3.800 2.486 1.844 3.156 . 0 0 "[ . 1 ]" 1
56 1 9 ILE HA 1 9 ILE QG 1.800 . 5.500 2.584 2.143 3.149 . 0 0 "[ . 1 ]" 1
57 1 9 ILE HA 1 9 ILE MG 1.800 . 6.000 2.378 2.226 2.603 . 0 0 "[ . 1 ]" 1
58 1 9 ILE HA 1 10 ILE H 1.800 . 3.300 3.409 3.259 3.526 0.226 12 0 "[ . 1 ]" 1
59 1 9 ILE HB 1 10 ILE H 1.800 . 3.300 2.957 2.090 3.484 0.184 2 0 "[ . 1 ]" 1
60 1 9 ILE MD 1 10 ILE H 1.800 . 6.000 4.035 3.233 4.715 . 0 0 "[ . 1 ]" 1
61 1 9 ILE HG12 1 10 ILE H 1.800 . 5.500 4.751 4.080 5.514 0.014 3 0 "[ . 1 ]" 1
62 1 9 ILE HG13 1 10 ILE H 1.800 . 5.500 5.069 4.577 5.512 0.012 1 0 "[ . 1 ]" 1
63 1 9 ILE MG 1 10 ILE H 1.800 . 6.000 3.579 2.812 4.169 . 0 0 "[ . 1 ]" 1
64 1 10 ILE H 1 10 ILE HB 1.800 . 2.800 2.783 2.444 2.946 0.146 10 0 "[ . 1 ]" 1
65 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 4.172 3.246 4.845 . 0 0 "[ . 1 ]" 1
66 1 10 ILE H 1 10 ILE HG12 1.800 . 5.000 4.621 3.181 5.087 0.087 9 0 "[ . 1 ]" 1
67 1 10 ILE H 1 10 ILE HG13 1.800 . 5.000 4.334 3.421 4.672 . 0 0 "[ . 1 ]" 1
68 1 10 ILE H 1 10 ILE MG 1.800 . 6.000 3.099 2.076 3.921 . 0 0 "[ . 1 ]" 1
69 1 10 ILE H 1 11 GLY H 1.800 . 3.300 3.088 2.515 3.440 0.140 2 0 "[ . 1 ]" 1
70 1 10 ILE HA 1 10 ILE MD 1.800 . 4.300 3.101 1.886 3.779 . 0 0 "[ . 1 ]" 1
71 1 10 ILE HA 1 10 ILE MG 1.800 . 4.300 3.016 2.301 3.198 . 0 0 "[ . 1 ]" 1
72 1 10 ILE HA 1 11 GLY H 1.800 . 2.800 2.745 2.379 2.923 0.123 3 0 "[ . 1 ]" 1
73 1 10 ILE HB 1 11 GLY H 1.800 . 5.000 4.575 4.314 4.673 . 0 0 "[ . 1 ]" 1
74 1 10 ILE QG 1 11 GLY H 1.800 . 5.500 4.283 4.091 4.692 . 0 0 "[ . 1 ]" 1
75 1 10 ILE MG 1 11 GLY H 1.800 . 6.000 3.658 3.450 3.961 . 0 0 "[ . 1 ]" 1
76 1 11 GLY H 1 12 VAL H 1.800 . 3.300 2.962 1.867 3.333 0.033 1 0 "[ . 1 ]" 1
77 1 12 VAL H 1 12 VAL HB 1.800 . 2.800 2.399 2.099 3.091 0.291 3 0 "[ . 1 ]" 1
78 1 12 VAL H 1 12 VAL MG1 1.800 . 6.000 3.614 3.101 4.017 . 0 0 "[ . 1 ]" 1
79 1 12 VAL H 1 12 VAL MG2 1.800 . 4.300 2.962 2.209 3.565 . 0 0 "[ . 1 ]" 1
80 1 12 VAL H 1 13 SER H 1.800 . 3.300 2.834 2.142 3.519 0.219 3 0 "[ . 1 ]" 1
81 1 12 VAL HA 1 12 VAL MG1 1.800 . 6.000 2.646 2.292 2.999 . 0 0 "[ . 1 ]" 1
82 1 12 VAL HA 1 12 VAL MG2 1.800 . 6.000 2.133 1.880 2.393 . 0 0 "[ . 1 ]" 1
83 1 12 VAL HB 1 13 SER H 1.800 . 3.800 2.435 1.808 3.527 . 0 0 "[ . 1 ]" 1
84 1 12 VAL HB 1 13 SER HA 1.800 . 5.000 4.624 4.040 5.139 0.139 10 0 "[ . 1 ]" 1
85 1 12 VAL MG1 1 13 SER H 1.800 . 6.000 2.228 1.822 2.947 . 0 0 "[ . 1 ]" 1
86 1 12 VAL MG1 1 13 SER HA 1.800 . 4.300 2.967 2.746 3.269 . 0 0 "[ . 1 ]" 1
87 1 12 VAL MG2 1 13 SER HA 1.800 . 6.000 5.190 5.033 5.321 . 0 0 "[ . 1 ]" 1
88 1 13 SER H 1 13 SER HB2 1.800 . 3.800 3.080 2.097 3.830 0.030 5 0 "[ . 1 ]" 1
89 1 13 SER H 1 13 SER HB3 1.800 . 3.800 3.080 2.181 3.834 0.034 8 0 "[ . 1 ]" 1
90 1 13 SER H 1 14 TYR H 1.800 . 5.000 4.134 3.286 4.657 . 0 0 "[ . 1 ]" 1
91 1 13 SER HA 1 14 TYR H 1.800 . 2.800 2.393 2.160 2.763 . 0 0 "[ . 1 ]" 1
92 1 13 SER HB2 1 14 TYR H 1.800 . 5.500 3.959 1.972 4.696 . 0 0 "[ . 1 ]" 1
93 1 13 SER HB3 1 14 TYR H 1.800 . 5.500 4.019 2.337 4.684 . 0 0 "[ . 1 ]" 1
94 1 14 TYR H 1 14 TYR HB2 1.800 . 3.300 2.613 2.146 3.336 0.036 3 0 "[ . 1 ]" 1
95 1 14 TYR H 1 14 TYR HB3 1.800 . 3.300 3.097 2.328 3.523 0.223 12 0 "[ . 1 ]" 1
96 1 14 TYR H 1 14 TYR QD 1.800 . 5.600 3.873 2.529 4.388 . 0 0 "[ . 1 ]" 1
97 1 14 TYR H 1 15 ASP H 1.800 . 3.300 2.520 2.080 3.028 . 0 0 "[ . 1 ]" 1
98 1 14 TYR H 1 16 GLU H 1.800 . 5.000 4.434 3.513 5.043 0.043 7 0 "[ . 1 ]" 1
99 1 14 TYR HA 1 14 TYR QD 1.800 . 5.100 2.386 1.915 3.233 . 0 0 "[ . 1 ]" 1
100 1 14 TYR HA 1 15 ASP H 1.800 . 5.000 3.300 2.763 3.580 . 0 0 "[ . 1 ]" 1
101 1 14 TYR HB2 1 15 ASP H 1.800 . 5.000 3.729 2.344 4.677 . 0 0 "[ . 1 ]" 1
102 1 14 TYR HB3 1 15 ASP H 1.800 . 5.000 3.392 1.877 4.299 . 0 0 "[ . 1 ]" 1
103 1 14 TYR QD 1 15 ASP H 1.800 . 5.600 4.308 2.360 4.902 . 0 0 "[ . 1 ]" 1
104 1 14 TYR QD 1 16 GLU H 1.800 . 7.300 5.220 3.602 6.333 . 0 0 "[ . 1 ]" 1
105 1 15 ASP H 1 15 ASP HB2 1.800 . 3.300 2.907 2.237 3.447 0.147 9 0 "[ . 1 ]" 1
106 1 15 ASP H 1 15 ASP HB3 1.800 . 3.300 3.223 2.918 3.390 0.090 13 0 "[ . 1 ]" 1
107 1 15 ASP H 1 16 GLU H 1.800 . 3.300 2.988 2.663 3.234 . 0 0 "[ . 1 ]" 1
108 1 15 ASP H 1 17 TYR H 1.800 . 5.000 4.521 3.034 5.057 0.057 4 0 "[ . 1 ]" 1
109 1 15 ASP HA 1 16 GLU H 1.800 . 2.800 2.711 2.443 2.933 0.133 11 0 "[ . 1 ]" 1
110 1 15 ASP HA 1 17 TYR H 1.800 . 5.000 3.854 3.003 4.975 . 0 0 "[ . 1 ]" 1
111 1 15 ASP HA 1 18 ARG H 1.800 . 5.000 4.484 2.970 5.117 0.117 8 0 "[ . 1 ]" 1
112 1 15 ASP HB2 1 16 GLU H 1.800 . 5.000 4.570 4.316 4.682 . 0 0 "[ . 1 ]" 1
113 1 15 ASP HB3 1 16 GLU H 1.800 . 5.000 4.326 4.059 4.676 . 0 0 "[ . 1 ]" 1
114 1 16 GLU H 1 16 GLU QG 1.800 . 5.500 3.794 2.281 4.229 . 0 0 "[ . 1 ]" 1
115 1 16 GLU H 1 17 TYR H 1.800 . 3.300 2.377 1.847 2.833 . 0 0 "[ . 1 ]" 1
116 1 16 GLU H 1 18 ARG H 1.800 . 5.000 3.852 2.394 5.071 0.071 8 0 "[ . 1 ]" 1
117 1 16 GLU HA 1 16 GLU QG 1.800 . 4.300 2.289 1.926 3.314 . 0 0 "[ . 1 ]" 1
118 1 16 GLU HA 1 17 TYR H 1.800 . 5.000 3.370 2.826 3.595 . 0 0 "[ . 1 ]" 1
119 1 16 GLU QB 1 17 TYR H 1.800 . 4.300 3.106 2.222 3.858 . 0 0 "[ . 1 ]" 1
120 1 16 GLU QG 1 17 TYR H 1.800 . 5.500 4.066 2.269 4.757 . 0 0 "[ . 1 ]" 1
121 1 17 TYR H 1 17 TYR HB2 1.800 . 3.300 2.890 2.252 3.296 . 0 0 "[ . 1 ]" 1
122 1 17 TYR H 1 17 TYR QD 1.800 . 5.600 3.745 2.629 4.336 . 0 0 "[ . 1 ]" 1
123 1 17 TYR H 1 18 ARG H 1.800 . 3.300 2.583 1.865 3.305 0.005 8 0 "[ . 1 ]" 1
124 1 17 TYR H 1 19 TYR H 1.800 . 5.000 3.905 2.945 5.124 0.124 11 0 "[ . 1 ]" 1
125 1 17 TYR H 1 20 ARG H 1.800 . 5.000 4.840 4.313 5.275 0.275 8 0 "[ . 1 ]" 1
126 1 17 TYR HA 1 17 TYR QD 1.800 . 5.100 2.457 2.010 3.142 . 0 0 "[ . 1 ]" 1
127 1 17 TYR HA 1 18 ARG H 1.800 . 2.800 2.833 2.482 3.005 0.205 10 0 "[ . 1 ]" 1
128 1 17 TYR HA 1 19 TYR H 1.800 . 5.000 4.257 3.309 5.008 0.008 3 0 "[ . 1 ]" 1
129 1 17 TYR HA 1 20 ARG H 1.800 . 5.000 4.375 3.173 5.110 0.110 3 0 "[ . 1 ]" 1
130 1 17 TYR QB 1 19 TYR QD 1.800 . 7.800 5.771 5.038 6.409 . 0 0 "[ . 1 ]" 1
131 1 17 TYR HB2 1 18 ARG H 1.800 . 5.000 4.326 3.997 4.657 . 0 0 "[ . 1 ]" 1
132 1 17 TYR HB3 1 18 ARG H 1.800 . 5.000 4.327 4.003 4.667 . 0 0 "[ . 1 ]" 1
133 1 17 TYR QD 1 18 ARG H 1.800 . 7.300 4.657 4.198 4.932 . 0 0 "[ . 1 ]" 1
134 1 18 ARG H 1 18 ARG QB 1.800 . 3.300 2.634 2.120 3.103 . 0 0 "[ . 1 ]" 1
135 1 18 ARG H 1 18 ARG QG 1.800 . 5.500 3.745 2.418 4.236 . 0 0 "[ . 1 ]" 1
136 1 18 ARG H 1 19 TYR H 1.800 . 3.300 3.122 2.795 3.373 0.073 8 0 "[ . 1 ]" 1
137 1 18 ARG H 1 20 ARG H 1.800 . 5.000 4.260 3.203 4.901 . 0 0 "[ . 1 ]" 1
138 1 18 ARG HA 1 18 ARG QG 1.800 . 3.300 2.170 1.909 2.449 . 0 0 "[ . 1 ]" 1
139 1 18 ARG HA 1 19 TYR H 1.800 . 2.800 2.794 2.596 2.899 0.099 9 0 "[ . 1 ]" 1
140 1 18 ARG HA 1 20 ARG H 1.800 . 5.000 4.503 3.599 5.048 0.048 5 0 "[ . 1 ]" 1
141 1 18 ARG QB 1 19 TYR H 1.800 . 5.500 3.879 3.777 4.036 . 0 0 "[ . 1 ]" 1
142 1 18 ARG QG 1 19 TYR H 1.800 . 5.500 4.397 3.915 4.627 . 0 0 "[ . 1 ]" 1
143 1 19 TYR H 1 19 TYR HB2 1.800 . 3.300 3.157 2.876 3.320 0.020 1 0 "[ . 1 ]" 1
144 1 19 TYR H 1 19 TYR QD 1.800 . 5.600 3.720 2.750 4.341 . 0 0 "[ . 1 ]" 1
145 1 19 TYR H 1 20 ARG H 1.800 . 3.300 2.719 1.781 3.066 0.019 8 0 "[ . 1 ]" 1
146 1 19 TYR H 1 21 SER H 1.800 . 5.000 4.832 4.412 5.092 0.092 3 0 "[ . 1 ]" 1
147 1 19 TYR HA 1 19 TYR QD 1.800 . 5.100 2.495 1.869 2.942 . 0 0 "[ . 1 ]" 1
148 1 19 TYR HA 1 20 ARG H 1.800 . 3.300 2.920 2.564 3.305 0.005 9 0 "[ . 1 ]" 1
149 1 19 TYR HB2 1 20 ARG H 1.800 . 5.000 4.389 3.931 4.669 . 0 0 "[ . 1 ]" 1
150 1 19 TYR HB3 1 20 ARG H 1.800 . 5.000 4.146 3.677 4.380 . 0 0 "[ . 1 ]" 1
151 1 19 TYR QD 1 20 ARG H 1.800 . 7.300 4.714 4.226 4.981 . 0 0 "[ . 1 ]" 1
152 1 20 ARG H 1 20 ARG HB2 1.800 . 3.300 2.809 2.288 3.399 0.099 13 0 "[ . 1 ]" 1
153 1 20 ARG H 1 20 ARG HB3 1.800 . 3.300 3.092 2.448 3.450 0.150 2 0 "[ . 1 ]" 1
154 1 20 ARG H 1 20 ARG QG 1.800 . 5.500 4.101 3.660 4.374 . 0 0 "[ . 1 ]" 1
155 1 20 ARG H 1 21 SER H 1.800 . 3.300 3.041 2.660 3.387 0.087 8 0 "[ . 1 ]" 1
156 1 20 ARG H 1 22 VAL H 1.800 . 5.000 4.916 3.355 5.232 0.232 8 0 "[ . 1 ]" 1
157 1 20 ARG HA 1 20 ARG QG 1.800 . 3.800 2.406 1.951 2.864 . 0 0 "[ . 1 ]" 1
158 1 20 ARG HA 1 21 SER H 1.800 . 2.800 2.778 2.536 2.865 0.065 3 0 "[ . 1 ]" 1
159 1 20 ARG HA 1 22 VAL H 1.800 . 5.000 3.712 3.144 5.058 0.058 13 0 "[ . 1 ]" 1
160 1 20 ARG HB2 1 21 SER H 1.800 . 5.000 4.609 4.361 4.675 . 0 0 "[ . 1 ]" 1
161 1 20 ARG HB3 1 21 SER H 1.800 . 5.000 4.246 4.150 4.443 . 0 0 "[ . 1 ]" 1
162 1 20 ARG QG 1 21 SER H 1.800 . 5.500 4.194 3.847 4.562 . 0 0 "[ . 1 ]" 1
163 1 21 SER H 1 21 SER QB 1.800 . 3.800 2.641 2.237 3.206 . 0 0 "[ . 1 ]" 1
164 1 21 SER H 1 22 VAL H 1.800 . 3.300 2.758 2.138 3.309 0.009 8 0 "[ . 1 ]" 1
165 1 21 SER HA 1 22 VAL H 1.800 . 2.800 2.823 2.558 2.981 0.181 3 0 "[ . 1 ]" 1
166 1 21 SER HA 1 23 ILE H 1.800 . 5.000 3.668 2.950 4.910 . 0 0 "[ . 1 ]" 1
167 1 21 SER QB 1 22 VAL H 1.800 . 5.500 3.866 3.722 4.053 . 0 0 "[ . 1 ]" 1
168 1 22 VAL H 1 22 VAL HB 1.800 . 2.800 2.688 2.465 2.945 0.145 13 0 "[ . 1 ]" 1
169 1 22 VAL H 1 22 VAL MG1 1.800 . 7.000 3.079 1.857 3.917 . 0 0 "[ . 1 ]" 1
170 1 22 VAL H 1 22 VAL MG2 1.800 . 7.000 3.260 2.272 3.978 . 0 0 "[ . 1 ]" 1
171 1 22 VAL H 1 23 ILE H 1.800 . 3.300 2.866 1.788 3.319 0.019 7 0 "[ . 1 ]" 1
172 1 22 VAL HA 1 22 VAL MG1 1.800 . 6.000 2.739 2.282 3.201 . 0 0 "[ . 1 ]" 1
173 1 22 VAL HA 1 22 VAL MG2 1.800 . 6.000 2.321 2.177 2.456 . 0 0 "[ . 1 ]" 1
174 1 22 VAL HA 1 23 ILE H 1.800 . 3.300 2.956 2.473 3.479 0.179 3 0 "[ . 1 ]" 1
175 1 22 VAL HB 1 23 ILE H 1.800 . 5.000 4.246 2.971 4.670 . 0 0 "[ . 1 ]" 1
176 1 22 VAL MG1 1 23 ILE H 1.800 . 6.000 3.466 2.046 4.088 . 0 0 "[ . 1 ]" 1
177 1 23 ILE H 1 23 ILE HB 1.800 . 2.800 2.732 2.242 3.043 0.243 11 0 "[ . 1 ]" 1
178 1 23 ILE H 1 23 ILE MD 1.800 . 4.300 2.635 1.852 3.695 . 0 0 "[ . 1 ]" 1
179 1 23 ILE H 1 23 ILE HG12 1.800 . 5.000 3.828 2.167 5.003 0.003 13 0 "[ . 1 ]" 1
180 1 23 ILE H 1 23 ILE HG13 1.800 . 5.000 3.380 2.036 4.783 . 0 0 "[ . 1 ]" 1
181 1 23 ILE H 1 23 ILE MG 1.800 . 6.000 3.752 2.684 4.024 . 0 0 "[ . 1 ]" 1
182 1 23 ILE H 1 24 LYS H 1.800 . 3.300 3.174 2.796 3.367 0.067 4 0 "[ . 1 ]" 1
183 1 23 ILE HA 1 23 ILE MD 1.800 . 4.300 2.960 1.849 3.705 . 0 0 "[ . 1 ]" 1
184 1 23 ILE HA 1 23 ILE MG 1.800 . 4.300 2.414 2.064 3.186 . 0 0 "[ . 1 ]" 1
185 1 23 ILE HA 1 24 LYS H 1.800 . 2.800 2.708 2.416 2.898 0.098 2 0 "[ . 1 ]" 1
186 1 23 ILE HB 1 24 LYS H 1.800 . 5.000 4.363 4.091 4.640 . 0 0 "[ . 1 ]" 1
187 1 23 ILE MG 1 24 LYS H 1.800 . 6.000 3.937 3.673 4.198 . 0 0 "[ . 1 ]" 1
188 1 24 LYS H 1 24 LYS QG 1.800 . 5.500 3.601 2.403 4.473 . 0 0 "[ . 1 ]" 1
189 1 24 LYS HA 1 24 LYS QG 1.800 . 3.800 2.547 1.925 3.375 . 0 0 "[ . 1 ]" 1
190 1 24 LYS HA 1 25 ALA H 1.800 . 2.800 2.421 2.197 2.806 0.006 11 0 "[ . 1 ]" 1
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