NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628182 |
5uy2   |
30248 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uy2
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 183
_Distance_constraint_stats_list.Viol_count 1876
_Distance_constraint_stats_list.Viol_total 6364.124
_Distance_constraint_stats_list.Viol_max 1.066
_Distance_constraint_stats_list.Viol_rms 0.1212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0604
_Distance_constraint_stats_list.Viol_average_violations_only 0.1413
_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 SER 4.915 0.218 14 0 "[ . 1 . 2 ]"
1 2 ASP 13.355 0.419 7 0 "[ . 1 . 2 ]"
1 3 THR 13.842 1.066 5 6 "[* + * * * 2- ]"
1 4 ARG 28.072 0.593 15 2 "[ . 1 - + 2 ]"
1 5 TYR 13.030 0.318 22 0 "[ . 1 . 2 ]"
1 6 ASN 8.660 1.066 5 1 "[ + 1 . 2 ]"
1 7 LYS 25.896 0.744 1 11 "[+* *-* 1 * ***** ]"
1 8 ASP 19.276 0.371 18 0 "[ . 1 . 2 ]"
1 9 PHE 24.368 0.529 4 6 "[ **+. 1 * - * 2 ]"
1 10 ILE 32.390 0.744 1 12 "[+*-*.* 1* * ***2** ]"
1 11 ASN 19.867 0.445 7 0 "[ . 1 . 2 ]"
1 12 ASN 19.933 0.423 11 0 "[ . 1 . 2 ]"
1 13 LYS 11.182 0.366 18 0 "[ . 1 . 2 ]"
1 14 HIS 5.370 0.708 22 2 "[ . 1- . 2 + ]"
1 15 LEU 49.107 1.021 11 24 [**********+*************]
1 16 ASN 13.680 0.423 11 0 "[ . 1 . 2 ]"
1 17 GLU 17.766 0.267 19 0 "[ . 1 . 2 ]"
1 18 HIS 7.896 0.346 6 0 "[ . 1 . 2 ]"
1 19 ALA 4.109 0.346 6 0 "[ . 1 . 2 ]"
1 20 HIS 5.624 0.227 17 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 1 SER HB2 2.800 . 2.800 2.484 2.255 2.582 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 SER HA 1 1 SER HB3 2.800 . 2.800 2.963 2.597 2.992 0.192 17 0 "[ . 1 . 2 ]" 1
3 1 1 SER HA 1 2 ASP H 2.800 . 2.800 2.755 2.341 3.018 0.218 14 0 "[ . 1 . 2 ]" 1
4 1 2 ASP H 1 2 ASP HA 2.800 . 2.800 2.794 2.170 2.989 0.189 14 0 "[ . 1 . 2 ]" 1
5 1 2 ASP H 1 2 ASP HB2 2.800 2.800 3.500 3.329 2.690 3.643 0.143 10 0 "[ . 1 . 2 ]" 1
6 1 2 ASP H 1 2 ASP HB3 2.800 2.800 3.500 3.364 2.794 3.919 0.419 7 0 "[ . 1 . 2 ]" 1
7 1 2 ASP H 1 3 THR H 2.800 . 2.800 2.767 2.186 2.961 0.161 10 0 "[ . 1 . 2 ]" 1
8 1 2 ASP HA 1 2 ASP HB2 2.800 2.800 3.500 2.756 2.634 3.133 0.166 19 0 "[ . 1 . 2 ]" 1
9 1 2 ASP HA 1 2 ASP HB3 2.800 2.800 3.500 2.989 2.615 3.130 0.185 7 0 "[ . 1 . 2 ]" 1
10 1 2 ASP HA 1 3 THR H 2.800 . 2.800 2.644 2.135 3.037 0.237 8 0 "[ . 1 . 2 ]" 1
11 1 2 ASP O 1 6 ASN H . . 2.500 2.609 2.516 2.842 0.342 3 0 "[ . 1 . 2 ]" 1
12 1 3 THR H 1 3 THR HA 2.800 . 2.800 2.586 2.265 2.805 0.005 15 0 "[ . 1 . 2 ]" 1
13 1 3 THR H 1 3 THR HB 2.800 . 2.800 2.641 1.895 2.908 0.108 11 0 "[ . 1 . 2 ]" 1
14 1 3 THR H 1 3 THR MG 2.800 2.800 3.800 2.974 2.046 3.550 0.754 8 5 "[* . + * * 2- ]" 1
15 1 3 THR H 1 4 ARG H 2.800 2.800 3.500 3.443 3.192 3.972 0.472 17 0 "[ . 1 . 2 ]" 1
16 1 3 THR HA 1 3 THR HB 2.800 . 2.800 2.604 2.222 2.987 0.187 22 0 "[ . 1 . 2 ]" 1
17 1 3 THR HA 1 3 THR MG 2.800 . 3.800 2.884 2.145 3.340 . 0 0 "[ . 1 . 2 ]" 1
18 1 3 THR HA 1 4 ARG H 2.800 2.800 3.500 3.307 2.632 3.582 0.168 19 0 "[ . 1 . 2 ]" 1
19 1 3 THR HA 1 5 TYR H 5.500 3.500 5.500 4.650 3.831 5.581 0.081 22 0 "[ . 1 . 2 ]" 1
20 1 3 THR HA 1 7 LYS H 5.500 3.500 5.500 5.188 3.500 5.722 0.222 20 0 "[ . 1 . 2 ]" 1
21 1 3 THR MG 1 6 ASN HA 5.500 3.500 6.500 5.057 2.434 5.560 1.066 5 1 "[ + 1 . 2 ]" 1
22 1 4 ARG H 1 4 ARG HA 2.800 . 2.800 2.759 2.218 3.014 0.214 15 0 "[ . 1 . 2 ]" 1
23 1 4 ARG H 1 4 ARG QB 3.500 2.800 4.500 2.859 2.377 3.507 0.423 4 0 "[ . 1 . 2 ]" 1
24 1 4 ARG H 1 4 ARG QD 2.800 . 3.800 2.791 1.953 3.317 . 0 0 "[ . 1 . 2 ]" 1
25 1 4 ARG H 1 4 ARG QG 2.800 . 3.800 3.031 2.151 3.605 . 0 0 "[ . 1 . 2 ]" 1
26 1 4 ARG H 1 5 TYR H 2.800 . 2.800 2.788 2.247 3.013 0.213 10 0 "[ . 1 . 2 ]" 1
27 1 4 ARG HA 1 4 ARG QD 3.500 2.800 4.500 3.034 2.330 4.105 0.470 6 0 "[ . 1 . 2 ]" 1
28 1 4 ARG HA 1 4 ARG QG 3.500 2.800 4.500 2.842 2.346 3.640 0.454 10 0 "[ . 1 . 2 ]" 1
29 1 4 ARG HA 1 5 TYR H 2.800 2.800 3.500 3.169 2.716 3.582 0.084 23 0 "[ . 1 . 2 ]" 1
30 1 4 ARG HA 1 6 ASN H 5.500 3.500 5.500 4.705 3.733 5.452 . 0 0 "[ . 1 . 2 ]" 1
31 1 4 ARG HA 1 8 ASP H 5.500 3.500 5.500 5.548 4.857 5.862 0.362 9 0 "[ . 1 . 2 ]" 1
32 1 4 ARG QB 1 4 ARG QD 3.500 2.800 5.500 2.459 2.207 2.677 0.593 15 2 "[ . 1 - + 2 ]" 1
33 1 4 ARG QD 1 4 ARG QH 2.800 . 6.200 2.049 1.932 2.091 . 0 0 "[ . 1 . 2 ]" 1
34 1 4 ARG QG 1 4 ARG QH 2.800 . 6.200 3.177 2.494 3.545 . 0 0 "[ . 1 . 2 ]" 1
35 1 5 TYR H 1 5 TYR HA 2.800 . 2.800 2.743 2.281 2.960 0.160 14 0 "[ . 1 . 2 ]" 1
36 1 5 TYR H 1 5 TYR HB2 2.800 2.800 3.500 3.152 2.720 3.818 0.318 22 0 "[ . 1 . 2 ]" 1
37 1 5 TYR H 1 5 TYR HB3 2.800 2.800 3.500 3.228 2.710 3.693 0.193 16 0 "[ . 1 . 2 ]" 1
38 1 5 TYR H 1 6 ASN H 2.800 . 2.800 2.553 1.869 2.836 0.036 19 0 "[ . 1 . 2 ]" 1
39 1 5 TYR HA 1 5 TYR HB2 2.800 . 2.800 2.515 2.359 3.003 0.203 2 0 "[ . 1 . 2 ]" 1
40 1 5 TYR HA 1 5 TYR HB3 2.800 . 2.800 2.910 2.384 3.009 0.209 3 0 "[ . 1 . 2 ]" 1
41 1 5 TYR HA 1 5 TYR QD 2.800 . 4.800 2.713 2.405 3.863 . 0 0 "[ . 1 . 2 ]" 1
42 1 5 TYR HA 1 6 ASN H 2.800 2.800 3.500 3.163 2.628 3.593 0.172 21 0 "[ . 1 . 2 ]" 1
43 1 5 TYR HA 1 7 LYS H 5.500 3.500 5.500 4.733 3.822 5.584 0.084 7 0 "[ . 1 . 2 ]" 1
44 1 5 TYR HB2 1 5 TYR QD 2.800 . 4.800 2.556 2.348 2.732 . 0 0 "[ . 1 . 2 ]" 1
45 1 5 TYR HB3 1 5 TYR QD 2.800 . 4.800 2.444 2.354 2.715 . 0 0 "[ . 1 . 2 ]" 1
46 1 6 ASN H 1 6 ASN HA 2.800 . 2.800 2.661 2.261 2.989 0.189 17 0 "[ . 1 . 2 ]" 1
47 1 6 ASN H 1 7 LYS H 2.800 . 2.800 2.646 1.920 2.903 0.103 1 0 "[ . 1 . 2 ]" 1
48 1 6 ASN HA 1 7 LYS H 2.800 2.800 3.500 3.241 2.602 3.593 0.198 4 0 "[ . 1 . 2 ]" 1
49 1 6 ASN QB 1 9 PHE HA 5.500 3.500 6.500 5.755 4.773 6.178 . 0 0 "[ . 1 . 2 ]" 1
50 1 7 LYS H 1 7 LYS HA 2.800 . 2.800 2.660 2.242 2.963 0.163 7 0 "[ . 1 . 2 ]" 1
51 1 7 LYS H 1 7 LYS QB 2.800 . 3.800 3.109 1.818 3.589 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 LYS H 1 7 LYS QD 2.800 . 3.800 3.087 2.035 3.627 . 0 0 "[ . 1 . 2 ]" 1
53 1 7 LYS H 1 7 LYS QG 2.800 . 3.800 2.945 2.284 3.714 . 0 0 "[ . 1 . 2 ]" 1
54 1 7 LYS H 1 8 ASP H 2.800 2.800 3.500 3.040 2.723 3.744 0.244 19 0 "[ . 1 . 2 ]" 1
55 1 7 LYS HA 1 7 LYS QD 2.800 2.800 3.800 2.676 2.090 3.597 0.710 20 4 "[ * - 1 . * + ]" 1
56 1 7 LYS HA 1 7 LYS QE 2.800 . 3.800 3.126 2.530 3.821 0.021 19 0 "[ . 1 . 2 ]" 1
57 1 7 LYS HA 1 7 LYS QG 2.800 . 3.800 3.136 2.294 3.515 . 0 0 "[ . 1 . 2 ]" 1
58 1 7 LYS HA 1 8 ASP H 2.800 2.800 3.500 3.277 2.500 3.645 0.300 6 0 "[ . 1 . 2 ]" 1
59 1 7 LYS HA 1 9 PHE H 5.500 3.500 5.500 4.072 3.388 4.932 0.112 3 0 "[ . 1 . 2 ]" 1
60 1 7 LYS HA 1 10 ILE H 2.800 2.800 3.500 3.490 2.749 4.244 0.744 1 3 "[+ .- 1 . * 2 ]" 1
61 1 7 LYS HA 1 11 ASN H 5.500 3.500 5.500 5.029 3.487 5.945 0.445 7 0 "[ . 1 . 2 ]" 1
62 1 7 LYS QB 1 10 ILE HA 5.500 3.500 6.500 4.835 2.819 6.007 0.681 19 6 "[ * *. 1 * - +2* ]" 1
63 1 8 ASP H 1 8 ASP HA 2.800 2.800 3.500 2.845 2.507 3.072 0.293 18 0 "[ . 1 . 2 ]" 1
64 1 8 ASP H 1 8 ASP HB2 2.800 . 2.800 2.671 2.302 2.882 0.082 24 0 "[ . 1 . 2 ]" 1
65 1 8 ASP H 1 8 ASP HB3 2.800 . 2.800 2.793 2.505 3.042 0.242 18 0 "[ . 1 . 2 ]" 1
66 1 8 ASP H 1 9 PHE H 2.800 . 2.800 2.820 2.391 3.096 0.296 18 0 "[ . 1 . 2 ]" 1
67 1 8 ASP HA 1 8 ASP HB2 2.800 . 2.800 2.465 2.270 2.630 . 0 0 "[ . 1 . 2 ]" 1
68 1 8 ASP HA 1 8 ASP HB3 2.800 . 2.800 2.989 2.954 3.014 0.214 7 0 "[ . 1 . 2 ]" 1
69 1 8 ASP HA 1 9 PHE H 2.800 2.800 3.500 3.123 2.460 3.536 0.340 18 0 "[ . 1 . 2 ]" 1
70 1 8 ASP HA 1 10 ILE H 5.500 3.500 5.500 4.714 3.624 5.518 0.018 19 0 "[ . 1 . 2 ]" 1
71 1 8 ASP HA 1 12 ASN H 5.500 3.500 5.500 5.452 3.569 5.871 0.371 18 0 "[ . 1 . 2 ]" 1
72 1 9 PHE H 1 9 PHE HA 2.800 . 2.800 2.633 1.943 2.962 0.162 5 0 "[ . 1 . 2 ]" 1
73 1 9 PHE H 1 9 PHE HB2 2.800 . 2.800 2.700 2.299 3.095 0.295 18 0 "[ . 1 . 2 ]" 1
74 1 9 PHE H 1 9 PHE HB3 2.800 2.800 3.500 3.271 2.719 3.709 0.209 18 0 "[ . 1 . 2 ]" 1
75 1 9 PHE H 1 10 ILE H 3.500 2.800 3.500 3.054 2.685 3.385 0.115 20 0 "[ . 1 . 2 ]" 1
76 1 9 PHE HA 1 9 PHE HB2 2.800 . 2.800 2.591 2.360 3.008 0.208 20 0 "[ . 1 . 2 ]" 1
77 1 9 PHE HA 1 9 PHE HB3 2.800 . 2.800 2.912 2.445 3.016 0.216 11 0 "[ . 1 . 2 ]" 1
78 1 9 PHE HA 1 9 PHE QD 3.500 2.800 5.500 2.579 2.271 2.931 0.529 4 5 "[ * +. 1 * - * 2 ]" 1
79 1 9 PHE HA 1 10 ILE H 5.500 3.500 5.500 3.426 2.989 3.768 0.511 3 1 "[ + . 1 . 2 ]" 1
80 1 9 PHE HA 1 13 LYS H 5.500 3.500 5.500 5.214 3.475 5.861 0.361 1 0 "[ . 1 . 2 ]" 1
81 1 9 PHE HB2 1 9 PHE QD 2.800 . 4.800 2.561 2.352 2.728 . 0 0 "[ . 1 . 2 ]" 1
82 1 9 PHE HB3 1 9 PHE QD 2.800 . 4.800 2.376 2.297 2.609 . 0 0 "[ . 1 . 2 ]" 1
83 1 10 ILE H 1 10 ILE HA 2.800 . 2.800 2.595 2.071 2.953 0.153 6 0 "[ . 1 . 2 ]" 1
84 1 10 ILE H 1 10 ILE HB 2.800 . 2.800 2.710 2.278 3.024 0.224 15 0 "[ . 1 . 2 ]" 1
85 1 10 ILE H 1 10 ILE MD 2.800 . 3.800 3.200 3.095 3.406 . 0 0 "[ . 1 . 2 ]" 1
86 1 10 ILE H 1 10 ILE HG12 2.800 2.800 3.500 3.609 3.515 3.928 0.428 1 0 "[ . 1 . 2 ]" 1
87 1 10 ILE H 1 10 ILE HG13 2.800 . 2.800 2.152 2.035 2.659 . 0 0 "[ . 1 . 2 ]" 1
88 1 10 ILE H 1 11 ASN H 3.500 2.800 3.500 3.338 2.712 3.769 0.269 14 0 "[ . 1 . 2 ]" 1
89 1 10 ILE HA 1 10 ILE HB 2.800 . 2.800 2.951 2.928 2.994 0.194 10 0 "[ . 1 . 2 ]" 1
90 1 10 ILE HA 1 10 ILE MD 5.500 3.500 6.500 3.875 3.741 4.004 . 0 0 "[ . 1 . 2 ]" 1
91 1 10 ILE HA 1 10 ILE HG12 2.800 . 2.800 2.797 2.596 2.917 0.117 1 0 "[ . 1 . 2 ]" 1
92 1 10 ILE HA 1 10 ILE HG13 2.800 . 2.800 2.660 2.361 3.099 0.299 1 0 "[ . 1 . 2 ]" 1
93 1 10 ILE HA 1 11 ASN H 2.800 . 2.800 2.452 1.805 3.235 0.435 18 0 "[ . 1 . 2 ]" 1
94 1 10 ILE HA 1 12 ASN H 5.500 3.500 5.500 4.304 3.490 4.876 0.010 14 0 "[ . 1 . 2 ]" 1
95 1 10 ILE HA 1 13 LYS H 5.500 3.500 5.500 5.461 4.809 5.673 0.173 18 0 "[ . 1 . 2 ]" 1
96 1 10 ILE HA 1 14 HIS H 5.500 3.500 5.500 5.176 4.303 5.569 0.069 14 0 "[ . 1 . 2 ]" 1
97 1 10 ILE HB 1 10 ILE MD 2.800 . 3.800 2.282 2.190 2.397 . 0 0 "[ . 1 . 2 ]" 1
98 1 10 ILE HB 1 10 ILE HG12 2.800 . 2.800 2.973 2.918 3.004 0.204 8 0 "[ . 1 . 2 ]" 1
99 1 10 ILE HB 1 10 ILE HG13 2.800 . 2.800 2.672 2.606 2.744 . 0 0 "[ . 1 . 2 ]" 1
100 1 10 ILE O 1 14 HIS H . . 2.500 2.495 2.257 3.208 0.708 22 2 "[ . 1- . 2 + ]" 1
101 1 11 ASN H 1 11 ASN HA 2.800 . 2.800 2.528 2.356 2.952 0.152 12 0 "[ . 1 . 2 ]" 1
102 1 11 ASN H 1 11 ASN HB2 2.800 . 2.800 2.805 2.542 2.958 0.158 10 0 "[ . 1 . 2 ]" 1
103 1 11 ASN H 1 11 ASN HB3 2.800 2.800 3.500 3.412 2.783 3.610 0.110 10 0 "[ . 1 . 2 ]" 1
104 1 11 ASN H 1 12 ASN H 3.500 2.800 3.500 3.166 2.773 3.514 0.027 12 0 "[ . 1 . 2 ]" 1
105 1 11 ASN HA 1 11 ASN HB2 2.800 . 2.800 2.496 2.430 2.658 . 0 0 "[ . 1 . 2 ]" 1
106 1 11 ASN HA 1 11 ASN HB3 2.800 . 2.800 2.973 2.951 3.006 0.206 22 0 "[ . 1 . 2 ]" 1
107 1 11 ASN HA 1 12 ASN H 5.500 3.500 5.500 3.322 3.205 3.630 0.295 16 0 "[ . 1 . 2 ]" 1
108 1 11 ASN HA 1 13 LYS H 5.500 3.500 5.500 5.258 3.389 5.799 0.299 22 0 "[ . 1 . 2 ]" 1
109 1 11 ASN HA 1 15 LEU H 5.000 3.500 5.000 4.756 4.131 5.138 0.138 20 0 "[ . 1 . 2 ]" 1
110 1 11 ASN HB3 1 11 ASN HD22 2.800 2.800 3.500 3.513 3.502 3.543 0.043 24 0 "[ . 1 . 2 ]" 1
111 1 12 ASN H 1 12 ASN HA 2.800 . 2.800 2.382 2.198 2.967 0.167 12 0 "[ . 1 . 2 ]" 1
112 1 12 ASN H 1 12 ASN HB2 2.800 2.800 3.500 3.134 2.719 3.499 0.081 18 0 "[ . 1 . 2 ]" 1
113 1 12 ASN H 1 12 ASN HB3 2.800 2.800 3.500 3.509 2.748 3.792 0.292 6 0 "[ . 1 . 2 ]" 1
114 1 12 ASN H 1 13 LYS H 2.800 . 2.800 2.692 2.217 3.166 0.366 18 0 "[ . 1 . 2 ]" 1
115 1 12 ASN HA 1 12 ASN HB2 2.800 . 2.800 2.451 2.368 2.980 0.180 18 0 "[ . 1 . 2 ]" 1
116 1 12 ASN HA 1 12 ASN HB3 2.800 . 2.800 2.930 2.351 2.979 0.179 12 0 "[ . 1 . 2 ]" 1
117 1 12 ASN HA 1 13 LYS H 2.800 . 2.800 2.518 2.295 3.008 0.208 22 0 "[ . 1 . 2 ]" 1
118 1 12 ASN HA 1 14 HIS H 5.500 3.500 5.500 4.815 4.122 5.336 . 0 0 "[ . 1 . 2 ]" 1
119 1 12 ASN HA 1 15 LEU H 5.500 3.500 5.500 5.566 5.538 5.666 0.166 11 0 "[ . 1 . 2 ]" 1
120 1 12 ASN HA 1 16 ASN H 5.000 3.500 5.000 5.031 4.770 5.187 0.187 22 0 "[ . 1 . 2 ]" 1
121 1 12 ASN O 1 16 ASN H . . 2.500 2.179 1.968 2.923 0.423 11 0 "[ . 1 . 2 ]" 1
122 1 13 LYS H 1 13 LYS HA 2.800 . 2.800 2.348 2.253 2.907 0.107 11 0 "[ . 1 . 2 ]" 1
123 1 13 LYS H 1 13 LYS QB 2.800 . 3.800 3.419 2.749 3.533 . 0 0 "[ . 1 . 2 ]" 1
124 1 13 LYS H 1 13 LYS QD 2.800 2.800 3.800 3.182 2.820 3.388 . 0 0 "[ . 1 . 2 ]" 1
125 1 13 LYS H 1 13 LYS QG 2.800 2.800 3.800 3.034 2.454 3.395 0.346 22 0 "[ . 1 . 2 ]" 1
126 1 13 LYS H 1 14 HIS H 2.800 . 2.800 2.833 2.625 3.048 0.248 22 0 "[ . 1 . 2 ]" 1
127 1 13 LYS HA 1 13 LYS QD 2.800 . 3.800 2.326 2.006 3.392 . 0 0 "[ . 1 . 2 ]" 1
128 1 13 LYS HA 1 13 LYS QE 2.800 . 3.800 3.028 2.686 3.574 . 0 0 "[ . 1 . 2 ]" 1
129 1 13 LYS HA 1 13 LYS QG 2.800 . 3.800 3.016 2.129 3.214 . 0 0 "[ . 1 . 2 ]" 1
130 1 13 LYS HA 1 14 HIS H 2.800 . 2.800 2.514 2.169 2.929 0.129 11 0 "[ . 1 . 2 ]" 1
131 1 13 LYS HA 1 16 ASN H 3.500 3.500 4.500 4.670 4.553 4.740 0.240 1 0 "[ . 1 . 2 ]" 1
132 1 14 HIS H 1 14 HIS HA 2.800 . 2.800 2.372 2.334 2.556 . 0 0 "[ . 1 . 2 ]" 1
133 1 14 HIS H 1 15 LEU H 3.500 2.800 3.500 2.951 2.631 3.085 0.169 22 0 "[ . 1 . 2 ]" 1
134 1 14 HIS HA 1 15 LEU H 2.800 . 2.800 2.431 2.282 2.530 . 0 0 "[ . 1 . 2 ]" 1
135 1 14 HIS HA 1 17 GLU H 5.500 3.500 5.500 5.571 5.521 5.593 0.093 2 0 "[ . 1 . 2 ]" 1
136 1 14 HIS QB 1 17 GLU HA 3.500 2.800 4.500 3.690 3.363 3.920 . 0 0 "[ . 1 . 2 ]" 1
137 1 14 HIS O 1 18 HIS H . . 2.500 2.411 2.213 2.519 0.019 24 0 "[ . 1 . 2 ]" 1
138 1 15 LEU H 1 15 LEU HA 2.800 . 2.800 2.331 2.318 2.369 . 0 0 "[ . 1 . 2 ]" 1
139 1 15 LEU H 1 15 LEU QB 2.800 . 3.800 3.473 3.410 3.500 . 0 0 "[ . 1 . 2 ]" 1
140 1 15 LEU H 1 15 LEU QD 3.500 3.500 4.500 2.654 2.479 2.848 1.021 11 24 [**********+***-*********] 1
141 1 15 LEU H 1 15 LEU HG 3.500 2.800 3.500 3.461 3.296 3.553 0.053 11 0 "[ . 1 . 2 ]" 1
142 1 15 LEU H 1 16 ASN H 3.500 2.800 3.500 2.857 2.790 2.900 0.010 12 0 "[ . 1 . 2 ]" 1
143 1 15 LEU HA 1 15 LEU QD 3.500 3.500 4.500 3.221 3.139 3.281 0.361 11 0 "[ . 1 . 2 ]" 1
144 1 15 LEU HA 1 15 LEU HG 3.500 2.800 3.500 2.710 2.660 2.729 0.140 11 0 "[ . 1 . 2 ]" 1
145 1 15 LEU HA 1 16 ASN H 2.800 . 2.800 2.805 2.671 2.883 0.083 11 0 "[ . 1 . 2 ]" 1
146 1 15 LEU HA 1 18 HIS H 5.500 3.500 5.500 5.442 4.674 5.559 0.059 8 0 "[ . 1 . 2 ]" 1
147 1 15 LEU HA 1 19 ALA H 5.000 3.500 5.000 4.890 4.655 5.079 0.079 11 0 "[ . 1 . 2 ]" 1
148 1 15 LEU QB 1 18 HIS HA 3.500 2.800 4.500 3.238 2.924 4.201 . 0 0 "[ . 1 . 2 ]" 1
149 1 15 LEU MD1 1 15 LEU MD2 3.500 2.800 5.500 2.139 2.128 2.153 0.672 14 24 [**********-**+**********] 1
150 1 16 ASN H 1 16 ASN HA 2.800 . 2.800 2.310 2.279 2.348 . 0 0 "[ . 1 . 2 ]" 1
151 1 16 ASN H 1 16 ASN HB2 2.800 . 2.800 2.878 2.860 2.915 0.115 1 0 "[ . 1 . 2 ]" 1
152 1 16 ASN H 1 16 ASN HB3 2.800 2.800 3.500 3.555 3.528 3.602 0.102 11 0 "[ . 1 . 2 ]" 1
153 1 16 ASN H 1 17 GLU H 3.500 2.800 3.500 3.244 3.146 3.472 . 0 0 "[ . 1 . 2 ]" 1
154 1 16 ASN HA 1 16 ASN HB2 2.800 . 2.800 2.404 2.347 2.457 . 0 0 "[ . 1 . 2 ]" 1
155 1 16 ASN HA 1 16 ASN HB3 2.800 . 2.800 2.970 2.960 2.978 0.178 6 0 "[ . 1 . 2 ]" 1
156 1 16 ASN HA 1 17 GLU H 2.800 . 2.800 2.454 2.366 2.504 . 0 0 "[ . 1 . 2 ]" 1
157 1 17 GLU H 1 17 GLU HA 2.800 . 2.800 2.209 2.175 2.246 . 0 0 "[ . 1 . 2 ]" 1
158 1 17 GLU H 1 17 GLU HB2 2.800 2.800 3.500 3.296 3.205 3.381 . 0 0 "[ . 1 . 2 ]" 1
159 1 17 GLU H 1 17 GLU HB3 2.800 2.800 3.500 3.747 3.720 3.767 0.267 19 0 "[ . 1 . 2 ]" 1
160 1 17 GLU H 1 17 GLU HG2 2.800 . 2.800 2.898 2.887 2.904 0.104 19 0 "[ . 1 . 2 ]" 1
161 1 17 GLU H 1 17 GLU HG3 2.800 . 2.800 2.243 2.142 2.327 . 0 0 "[ . 1 . 2 ]" 1
162 1 17 GLU H 1 18 HIS H 3.500 2.800 3.500 3.356 3.120 3.466 . 0 0 "[ . 1 . 2 ]" 1
163 1 17 GLU HA 1 17 GLU HB2 2.800 . 2.800 2.972 2.969 2.977 0.177 11 0 "[ . 1 . 2 ]" 1
164 1 17 GLU HA 1 17 GLU HB3 2.800 . 2.800 2.351 2.326 2.380 . 0 0 "[ . 1 . 2 ]" 1
165 1 17 GLU HA 1 17 GLU HG2 2.800 . 2.800 2.364 2.355 2.389 . 0 0 "[ . 1 . 2 ]" 1
166 1 17 GLU HA 1 17 GLU HG3 2.800 . 2.800 2.951 2.940 2.961 0.161 19 0 "[ . 1 . 2 ]" 1
167 1 17 GLU HA 1 18 HIS H 2.800 . 2.800 2.433 2.347 2.821 0.021 11 0 "[ . 1 . 2 ]" 1
168 1 18 HIS H 1 18 HIS HA 2.800 . 2.800 2.382 2.253 2.972 0.172 11 0 "[ . 1 . 2 ]" 1
169 1 18 HIS H 1 18 HIS HB2 2.800 . 2.800 2.848 2.446 2.903 0.103 8 0 "[ . 1 . 2 ]" 1
170 1 18 HIS H 1 18 HIS HB3 2.800 2.800 3.500 3.507 2.772 3.635 0.135 11 0 "[ . 1 . 2 ]" 1
171 1 18 HIS H 1 19 ALA H 3.500 2.800 3.500 3.387 3.043 3.556 0.056 20 0 "[ . 1 . 2 ]" 1
172 1 18 HIS HA 1 19 ALA H 2.800 . 2.800 2.359 2.071 3.146 0.346 6 0 "[ . 1 . 2 ]" 1
173 1 18 HIS HB2 1 18 HIS HD2 2.800 . 2.800 2.856 2.806 2.876 0.076 20 0 "[ . 1 . 2 ]" 1
174 1 18 HIS HB3 1 18 HIS HD2 2.800 . 2.800 2.826 2.815 2.842 0.042 11 0 "[ . 1 . 2 ]" 1
175 1 19 ALA H 1 19 ALA HA 2.800 . 2.800 2.587 2.292 2.976 0.176 15 0 "[ . 1 . 2 ]" 1
176 1 19 ALA H 1 19 ALA MB 2.800 . 3.800 2.991 2.364 3.240 . 0 0 "[ . 1 . 2 ]" 1
177 1 19 ALA H 1 20 HIS H 3.500 2.800 3.500 3.445 2.910 3.628 0.128 9 0 "[ . 1 . 2 ]" 1
178 1 19 ALA HA 1 20 HIS H 2.800 . 2.800 2.304 2.040 3.027 0.227 17 0 "[ . 1 . 2 ]" 1
179 1 20 HIS H 1 20 HIS HA 2.800 . 2.800 2.903 2.810 2.945 0.145 9 0 "[ . 1 . 2 ]" 1
180 1 20 HIS H 1 20 HIS HB2 2.800 . 2.800 2.450 2.234 2.600 . 0 0 "[ . 1 . 2 ]" 1
181 1 20 HIS H 1 20 HIS HB3 2.800 . 2.800 2.731 2.648 2.863 0.063 18 0 "[ . 1 . 2 ]" 1
182 1 20 HIS HB2 1 20 HIS HD2 2.800 . 2.800 2.848 2.838 2.856 0.056 14 0 "[ . 1 . 2 ]" 1
183 1 20 HIS HB3 1 20 HIS HD2 2.800 . 2.800 2.825 2.818 2.832 0.032 4 0 "[ . 1 . 2 ]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 9:05:20 PM GMT (wattos1)