NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470363 |
1ale   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ale
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 167
_Distance_constraint_stats_list.Viol_count 272
_Distance_constraint_stats_list.Viol_total 144.570
_Distance_constraint_stats_list.Viol_max 1.204
_Distance_constraint_stats_list.Viol_rms 0.1385
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0346
_Distance_constraint_stats_list.Viol_average_violations_only 0.1063
_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 ALA 6.074 0.922 2 5 [*+*-*]
1 2 LEU 6.497 0.922 2 5 [*+*-*]
1 3 ASP 1.808 0.324 5 0 "[ .]"
1 4 LYS 0.061 0.019 1 0 "[ .]"
1 5 LEU 9.701 1.204 3 5 [**+**]
1 6 LYS 0.872 0.145 4 0 "[ .]"
1 7 GLU 1.931 0.455 4 0 "[ .]"
1 8 PHE 2.030 0.416 2 0 "[ .]"
1 9 GLY 0.632 0.133 1 0 "[ .]"
1 10 ASN 0.215 0.026 3 0 "[ .]"
1 11 THR 2.169 0.291 2 0 "[ .]"
1 12 LEU 1.846 0.291 2 0 "[ .]"
1 13 GLU 0.953 0.200 1 0 "[ .]"
1 14 ASP 0.839 0.090 1 0 "[ .]"
1 15 LYS 1.535 0.394 1 0 "[ .]"
1 16 ALA 0.186 0.041 4 0 "[ .]"
1 17 ARG 0.172 0.030 1 0 "[ .]"
1 18 GLU 0.663 0.609 1 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 1 ALA HA 1 2 LEU H 2.500 . 2.500 2.478 2.463 2.498 . 0 0 "[ .]" 1
2 1 1 ALA MB 1 2 LEU H 2.500 2.500 4.000 2.136 2.108 2.156 0.392 3 0 "[ .]" 1
3 1 1 ALA MB 1 2 LEU QD 3.500 3.500 7.400 2.649 2.578 2.733 0.922 2 5 [*+*-*] 1
4 1 1 ALA MB 1 3 ASP H 5.000 3.500 5.060 4.198 4.185 4.205 . 0 0 "[ .]" 1
5 1 2 LEU H 1 2 LEU HA 2.500 . 2.500 2.377 2.376 2.377 . 0 0 "[ .]" 1
6 1 2 LEU H 1 2 LEU HB2 5.253 3.500 5.000 3.728 3.702 3.738 . 0 0 "[ .]" 1
7 1 2 LEU H 1 2 LEU HB3 3.500 3.500 4.120 4.124 4.117 4.130 0.010 4 0 "[ .]" 1
8 1 2 LEU H 1 2 LEU HG 2.500 . 2.640 2.655 2.651 2.657 0.017 5 0 "[ .]" 1
9 1 2 LEU H 1 3 ASP H 2.500 . 2.670 2.691 2.689 2.694 0.024 5 0 "[ .]" 1
10 1 2 LEU HA 1 2 LEU HB2 4.253 2.500 3.500 3.090 3.089 3.092 . 0 0 "[ .]" 1
11 1 2 LEU HA 1 2 LEU HG 2.500 . 2.750 2.761 2.760 2.763 0.013 3 0 "[ .]" 1
12 1 2 LEU HA 1 3 ASP H 2.500 . 2.640 2.665 2.662 2.671 0.031 1 0 "[ .]" 1
13 1 2 LEU HA 1 4 LYS H 3.500 2.500 3.500 3.178 3.141 3.211 . 0 0 "[ .]" 1
14 1 2 LEU HA 1 5 LEU QD 3.500 3.500 5.000 3.759 3.668 3.876 . 0 0 "[ .]" 1
15 1 2 LEU HB2 1 2 LEU QD 2.500 . 4.900 2.144 2.132 2.161 . 0 0 "[ .]" 1
16 1 2 LEU HB3 1 3 ASP HA 5.000 4.000 5.050 5.053 5.025 5.067 0.017 5 0 "[ .]" 1
17 1 2 LEU QD 1 3 ASP H 6.000 3.500 6.110 4.632 4.622 4.648 . 0 0 "[ .]" 1
18 1 2 LEU QD 1 6 LYS H 5.000 3.500 7.400 5.254 5.190 5.319 . 0 0 "[ .]" 1
19 1 3 ASP H 1 3 ASP HA 2.500 . 3.040 3.001 2.988 3.008 . 0 0 "[ .]" 1
20 1 3 ASP H 1 3 ASP QB 2.500 2.500 3.500 2.224 2.176 2.320 0.324 5 0 "[ .]" 1
21 1 3 ASP H 1 4 LYS H 2.500 . 2.500 2.405 2.371 2.465 . 0 0 "[ .]" 1
22 1 3 ASP H 1 5 LEU H 3.500 3.500 5.000 4.107 4.044 4.177 . 0 0 "[ .]" 1
23 1 3 ASP H 1 6 LYS HB2 5.258 4.500 5.300 5.331 5.317 5.346 0.046 1 0 "[ .]" 1
24 1 3 ASP H 1 6 LYS QD 3.500 3.500 4.570 3.942 3.796 4.086 . 0 0 "[ .]" 1
25 1 3 ASP HA 1 4 LYS H 3.500 2.500 3.500 3.372 3.350 3.382 . 0 0 "[ .]" 1
26 1 3 ASP HA 1 5 LEU H 5.000 3.500 5.000 3.987 3.926 4.036 . 0 0 "[ .]" 1
27 1 3 ASP HA 1 6 LYS H 3.500 2.500 3.500 3.139 3.036 3.253 . 0 0 "[ .]" 1
28 1 3 ASP HA 1 6 LYS QE 6.000 3.500 6.000 4.570 4.299 4.866 . 0 0 "[ .]" 1
29 1 3 ASP QB 1 4 LYS H 2.500 2.500 3.570 3.206 3.144 3.265 . 0 0 "[ .]" 1
30 1 4 LYS H 1 4 LYS HA 2.500 2.500 3.500 3.005 3.003 3.008 . 0 0 "[ .]" 1
31 1 4 LYS H 1 4 LYS HB2 2.500 . 2.500 2.189 2.187 2.193 . 0 0 "[ .]" 1
32 1 4 LYS H 1 4 LYS HB3 2.500 2.500 3.490 3.502 3.493 3.509 0.019 1 0 "[ .]" 1
33 1 4 LYS H 1 4 LYS HG2 3.500 3.000 3.770 3.504 3.376 3.692 . 0 0 "[ .]" 1
34 1 4 LYS H 1 4 LYS HG3 3.500 3.000 3.850 3.800 3.675 3.854 0.004 1 0 "[ .]" 1
35 1 4 LYS H 1 6 LYS H 3.500 3.500 5.000 3.792 3.768 3.841 . 0 0 "[ .]" 1
36 1 4 LYS HB2 1 4 LYS HG2 3.500 2.500 3.500 2.804 2.745 2.904 . 0 0 "[ .]" 1
37 1 5 LEU H 1 5 LEU HA 2.500 . 3.020 3.011 2.996 3.021 0.001 3 0 "[ .]" 1
38 1 5 LEU H 1 5 LEU QD 3.500 3.500 5.000 2.739 2.670 2.794 0.830 1 5 [+*-**] 1
39 1 5 LEU H 1 6 LYS H 2.500 . 2.500 2.352 2.302 2.420 . 0 0 "[ .]" 1
40 1 5 LEU H 1 7 GLU H 3.500 3.500 5.000 4.003 3.960 4.050 . 0 0 "[ .]" 1
41 1 5 LEU HA 1 5 LEU QD . 3.000 4.000 1.822 1.796 1.846 1.204 3 5 [-*+**] 1
42 1 5 LEU HA 1 6 LYS H 3.500 2.500 3.500 3.484 3.473 3.501 0.001 1 0 "[ .]" 1
43 1 5 LEU HA 1 8 PHE HB2 3.500 2.500 3.500 2.824 2.623 2.911 . 0 0 "[ .]" 1
44 1 5 LEU HA 1 8 PHE HB3 3.500 2.500 3.500 2.776 2.680 2.826 . 0 0 "[ .]" 1
45 1 5 LEU QD 1 6 LYS H 5.000 3.500 6.500 4.030 3.989 4.054 . 0 0 "[ .]" 1
46 1 6 LYS H 1 6 LYS HA 2.500 . 2.970 2.970 2.963 2.981 0.011 3 0 "[ .]" 1
47 1 6 LYS H 1 6 LYS HB2 2.500 . 2.550 2.551 2.546 2.554 0.004 3 0 "[ .]" 1
48 1 6 LYS H 1 6 LYS QD 2.500 2.500 3.600 3.318 3.297 3.331 . 0 0 "[ .]" 1
49 1 6 LYS H 1 6 LYS HG2 3.500 2.500 3.760 3.781 3.778 3.785 0.025 1 0 "[ .]" 1
50 1 6 LYS H 1 7 GLU H 2.500 . 2.510 2.515 2.512 2.519 0.009 2 0 "[ .]" 1
51 1 6 LYS HA 1 6 LYS HG2 5.262 2.500 3.500 2.920 2.906 2.934 . 0 0 "[ .]" 1
52 1 6 LYS HA 1 8 PHE H 3.500 3.000 3.790 3.819 3.809 3.848 0.058 4 0 "[ .]" 1
53 1 6 LYS HA 1 9 GLY H 3.500 2.500 3.500 3.357 3.164 3.469 . 0 0 "[ .]" 1
54 1 6 LYS HB2 1 6 LYS QE 4.258 3.500 4.500 3.747 3.535 3.906 . 0 0 "[ .]" 1
55 1 6 LYS HB3 1 7 GLU H 3.500 2.500 3.640 3.631 3.584 3.659 0.019 4 0 "[ .]" 1
56 1 6 LYS QE 1 6 LYS HG2 3.500 . 3.500 1.929 1.855 2.023 0.145 4 0 "[ .]" 1
57 1 6 LYS QE 1 6 LYS HG3 3.500 2.500 3.500 3.080 2.999 3.145 . 0 0 "[ .]" 1
58 1 7 GLU H 1 7 GLU QB 2.500 2.500 3.500 2.197 2.045 2.285 0.455 4 0 "[ .]" 1
59 1 7 GLU H 1 7 GLU HG2 3.500 2.510 3.500 3.071 2.865 3.525 0.025 4 0 "[ .]" 1
60 1 7 GLU H 1 7 GLU HG3 5.000 3.500 5.000 4.076 3.725 4.303 . 0 0 "[ .]" 1
61 1 7 GLU H 1 8 PHE H 2.500 . 2.540 2.545 2.535 2.554 0.014 4 0 "[ .]" 1
62 1 7 GLU HA 1 10 ASN HB2 3.500 2.500 3.500 3.187 3.055 3.431 . 0 0 "[ .]" 1
63 1 7 GLU HA 1 10 ASN HB3 3.500 2.500 3.500 2.879 2.707 3.080 . 0 0 "[ .]" 1
64 1 7 GLU HA 1 11 THR H 5.000 3.500 5.000 4.819 4.663 4.948 . 0 0 "[ .]" 1
65 1 7 GLU QB 1 7 GLU HG3 4.245 2.300 3.500 2.285 2.217 2.530 0.083 2 0 "[ .]" 1
66 1 7 GLU QB 1 8 PHE H 2.500 2.500 3.500 2.953 2.869 3.138 . 0 0 "[ .]" 1
67 1 7 GLU QB 1 9 GLY H 5.000 3.500 6.000 4.935 4.875 5.103 . 0 0 "[ .]" 1
68 1 8 PHE H 1 8 PHE HA 2.500 . 2.950 2.957 2.949 2.965 0.015 2 0 "[ .]" 1
69 1 8 PHE H 1 8 PHE HB2 2.500 . 2.540 2.547 2.540 2.556 0.016 5 0 "[ .]" 1
70 1 8 PHE H 1 8 PHE HB3 2.500 . 2.560 2.565 2.555 2.571 0.011 4 0 "[ .]" 1
71 1 8 PHE H 1 8 PHE QD 5.000 3.500 7.000 4.294 4.289 4.299 . 0 0 "[ .]" 1
72 1 8 PHE HA 1 8 PHE HB2 2.500 . 2.570 2.577 2.571 2.581 0.011 2 0 "[ .]" 1
73 1 8 PHE HA 1 8 PHE HB3 2.500 . 3.100 3.105 3.104 3.107 0.007 5 0 "[ .]" 1
74 1 8 PHE HA 1 8 PHE QD 2.500 2.500 4.500 2.362 2.084 3.273 0.416 2 0 "[ .]" 1
75 1 8 PHE HA 1 11 THR H 3.500 2.500 3.500 3.443 3.429 3.485 . 0 0 "[ .]" 1
76 1 8 PHE HA 1 11 THR HG1 6.500 3.500 6.500 3.608 3.566 3.677 . 0 0 "[ .]" 1
77 1 8 PHE HB2 1 8 PHE QD 2.500 . 4.500 2.674 2.388 2.828 . 0 0 "[ .]" 1
78 1 8 PHE HB2 1 9 GLY H 3.500 3.000 3.700 3.719 3.709 3.735 0.035 4 0 "[ .]" 1
79 1 8 PHE HB3 1 8 PHE QD 2.500 . 4.500 2.503 2.373 2.590 . 0 0 "[ .]" 1
80 1 8 PHE QD 1 9 GLY H 3.500 3.500 5.500 3.979 3.367 4.193 0.133 1 0 "[ .]" 1
81 1 8 PHE QD 1 11 THR H 3.500 3.500 5.500 4.286 3.899 4.899 . 0 0 "[ .]" 1
82 1 9 GLY H 1 9 GLY HA2 2.500 . 2.930 2.953 2.950 2.955 0.025 5 0 "[ .]" 1
83 1 9 GLY H 1 9 GLY HA3 2.500 . 2.500 2.415 2.414 2.415 . 0 0 "[ .]" 1
84 1 9 GLY H 1 11 THR H 5.000 3.500 5.000 4.097 4.072 4.139 . 0 0 "[ .]" 1
85 1 9 GLY HA2 1 10 ASN H 3.500 2.500 3.500 3.478 3.468 3.484 . 0 0 "[ .]" 1
86 1 9 GLY HA2 1 11 THR H 5.000 3.500 5.000 3.856 3.843 3.882 . 0 0 "[ .]" 1
87 1 9 GLY HA2 1 12 LEU QD 3.500 3.500 5.900 3.510 3.431 3.715 0.069 2 0 "[ .]" 1
88 1 9 GLY HA2 1 13 GLU H 5.000 3.500 5.000 4.113 4.027 4.169 . 0 0 "[ .]" 1
89 1 9 GLY HA3 1 10 ASN H 3.500 2.500 3.500 3.036 3.018 3.073 . 0 0 "[ .]" 1
90 1 9 GLY HA3 1 11 THR H 5.000 3.500 5.000 4.506 4.492 4.534 . 0 0 "[ .]" 1
91 1 9 GLY HA3 1 12 LEU HB2 5.000 2.500 5.030 5.055 5.051 5.058 0.028 5 0 "[ .]" 1
92 1 9 GLY HA3 1 13 GLU H 5.000 3.500 5.000 4.948 4.879 4.981 . 0 0 "[ .]" 1
93 1 10 ASN H 1 10 ASN HA 2.500 . 3.020 2.984 2.982 2.987 . 0 0 "[ .]" 1
94 1 10 ASN H 1 10 ASN HB2 2.500 . 2.530 2.541 2.540 2.542 0.012 1 0 "[ .]" 1
95 1 10 ASN H 1 10 ASN HB3 2.500 . 2.560 2.570 2.569 2.572 0.012 5 0 "[ .]" 1
96 1 10 ASN H 1 11 THR H 2.500 . 2.500 2.484 2.468 2.501 0.001 3 0 "[ .]" 1
97 1 10 ASN HA 1 10 ASN HB3 4.248 2.500 3.500 3.115 3.114 3.116 . 0 0 "[ .]" 1
98 1 10 ASN HA 1 11 THR H 3.500 2.500 3.500 3.439 3.436 3.442 . 0 0 "[ .]" 1
99 1 10 ASN HA 1 13 GLU H 3.500 2.500 3.500 3.331 3.298 3.361 . 0 0 "[ .]" 1
100 1 10 ASN HA 1 13 GLU QB 2.500 2.500 3.500 2.535 2.493 2.561 0.007 1 0 "[ .]" 1
101 1 10 ASN HA 1 14 ASP H 3.500 2.500 3.600 3.621 3.614 3.626 0.026 3 0 "[ .]" 1
102 1 10 ASN HB2 1 11 THR H 3.500 3.500 5.000 4.038 4.023 4.054 . 0 0 "[ .]" 1
103 1 10 ASN HB3 1 11 THR H 3.500 2.510 3.500 3.043 3.022 3.066 . 0 0 "[ .]" 1
104 1 11 THR H 1 11 THR HA 2.500 . 3.000 2.993 2.992 2.995 . 0 0 "[ .]" 1
105 1 11 THR H 1 11 THR HB 2.500 . 2.500 2.218 2.207 2.222 . 0 0 "[ .]" 1
106 1 11 THR H 1 11 THR HG1 3.500 3.500 4.200 3.405 3.402 3.407 0.098 2 0 "[ .]" 1
107 1 11 THR H 1 12 LEU H 2.500 . 2.510 2.519 2.517 2.520 0.010 1 0 "[ .]" 1
108 1 11 THR H 1 13 GLU H 3.500 3.500 5.000 3.924 3.911 3.941 . 0 0 "[ .]" 1
109 1 11 THR HA 1 11 THR HB 3.500 2.500 3.500 3.049 3.045 3.051 . 0 0 "[ .]" 1
110 1 11 THR HA 1 11 THR HG1 2.500 2.500 3.500 2.711 2.708 2.719 . 0 0 "[ .]" 1
111 1 11 THR HA 1 12 LEU H 3.500 2.500 3.540 3.535 3.534 3.536 . 0 0 "[ .]" 1
112 1 11 THR HA 1 13 GLU H 5.000 3.500 5.000 4.360 4.328 4.375 . 0 0 "[ .]" 1
113 1 11 THR HA 1 14 ASP HB2 3.500 2.490 3.500 2.486 2.485 2.487 0.005 1 0 "[ .]" 1
114 1 11 THR HA 1 14 ASP HB3 3.500 2.500 3.640 3.687 3.684 3.690 0.050 3 0 "[ .]" 1
115 1 11 THR HA 1 15 LYS H 5.000 3.500 5.000 4.365 4.330 4.389 . 0 0 "[ .]" 1
116 1 11 THR HB 1 12 LEU H 2.500 . 2.510 2.524 2.521 2.527 0.017 2 0 "[ .]" 1
117 1 11 THR HB 1 13 GLU H 5.000 3.500 5.060 5.054 5.038 5.065 0.005 4 0 "[ .]" 1
118 1 11 THR HG1 1 12 LEU H 3.500 3.000 3.660 2.737 2.709 2.752 0.291 2 0 "[ .]" 1
119 1 11 THR HG1 1 13 GLU H 5.000 3.500 6.500 4.705 4.692 4.718 . 0 0 "[ .]" 1
120 1 11 THR HG1 1 15 LYS H 5.000 3.500 6.500 4.497 4.481 4.513 . 0 0 "[ .]" 1
121 1 12 LEU H 1 12 LEU HB2 2.500 . 2.530 2.525 2.521 2.531 0.001 3 0 "[ .]" 1
122 1 12 LEU H 1 12 LEU HB3 2.500 . 2.570 2.580 2.577 2.582 0.012 1 0 "[ .]" 1
123 1 12 LEU HA 1 12 LEU HB2 4.253 . 2.600 2.530 2.524 2.534 . 0 0 "[ .]" 1
124 1 12 LEU HA 1 15 LYS H 3.500 2.500 3.520 3.536 3.534 3.538 0.018 5 0 "[ .]" 1
125 1 12 LEU HB2 1 12 LEU HG 4.253 2.500 3.500 2.890 2.707 3.070 . 0 0 "[ .]" 1
126 1 12 LEU HB2 1 13 GLU H 4.253 3.500 5.000 3.823 3.816 3.834 . 0 0 "[ .]" 1
127 1 12 LEU QD 1 15 LYS H 5.000 3.500 7.400 4.488 3.854 4.864 . 0 0 "[ .]" 1
128 1 13 GLU H 1 13 GLU QB 2.500 2.500 3.500 2.321 2.300 2.332 0.200 1 0 "[ .]" 1
129 1 13 GLU H 1 13 GLU HG2 3.500 3.500 4.210 4.214 4.212 4.218 0.008 1 0 "[ .]" 1
130 1 13 GLU H 1 13 GLU HG3 3.500 2.500 3.500 3.013 3.004 3.019 . 0 0 "[ .]" 1
131 1 13 GLU HA 1 13 GLU QB 2.500 2.500 3.500 2.508 2.504 2.517 . 0 0 "[ .]" 1
132 1 13 GLU HA 1 13 GLU HG2 3.500 2.510 3.500 3.157 3.109 3.179 . 0 0 "[ .]" 1
133 1 13 GLU HA 1 17 ARG H 5.000 3.500 5.000 4.896 4.640 5.016 0.016 4 0 "[ .]" 1
134 1 13 GLU QB 1 13 GLU HG3 4.245 2.500 3.500 2.616 2.610 2.618 . 0 0 "[ .]" 1
135 1 13 GLU QB 1 14 ASP H 2.500 . 3.500 2.200 2.168 2.276 . 0 0 "[ .]" 1
136 1 14 ASP H 1 14 ASP HA 2.500 . 3.000 2.851 2.837 2.877 . 0 0 "[ .]" 1
137 1 14 ASP H 1 14 ASP HB3 4.249 2.500 3.560 3.559 3.544 3.567 0.007 4 0 "[ .]" 1
138 1 14 ASP HA 1 14 ASP HB3 2.500 . 2.720 2.807 2.802 2.810 0.090 1 0 "[ .]" 1
139 1 14 ASP HA 1 15 LYS H 3.500 2.500 3.500 3.444 3.439 3.450 . 0 0 "[ .]" 1
140 1 14 ASP HA 1 17 ARG H 3.500 2.500 3.600 3.471 3.371 3.604 0.004 3 0 "[ .]" 1
141 1 14 ASP HB2 1 15 LYS H 3.500 2.500 3.500 3.310 3.284 3.324 . 0 0 "[ .]" 1
142 1 14 ASP HB3 1 15 LYS H 3.500 2.510 3.530 3.530 3.506 3.542 0.012 2 0 "[ .]" 1
143 1 15 LYS H 1 15 LYS HA 2.500 . 2.900 2.909 2.870 2.955 0.055 3 0 "[ .]" 1
144 1 15 LYS H 1 15 LYS QB 2.500 2.300 3.500 2.162 2.149 2.183 0.151 1 0 "[ .]" 1
145 1 15 LYS H 1 15 LYS QG 2.500 2.500 3.500 3.107 3.038 3.199 . 0 0 "[ .]" 1
146 1 15 LYS HA 1 15 LYS QB 2.500 . 3.500 2.440 2.198 2.604 . 0 0 "[ .]" 1
147 1 15 LYS HA 1 15 LYS QG 2.500 2.500 3.500 2.666 2.106 3.267 0.394 1 0 "[ .]" 1
148 1 15 LYS HA 1 17 ARG H 5.000 3.500 5.000 4.626 4.351 4.964 . 0 0 "[ .]" 1
149 1 16 ALA H 1 16 ALA HA 2.500 . 3.010 3.032 2.999 3.051 0.041 4 0 "[ .]" 1
150 1 16 ALA H 1 17 ARG H 2.500 . 2.500 2.504 2.501 2.507 0.007 4 0 "[ .]" 1
151 1 16 ALA H 1 18 GLU H 3.500 3.500 5.000 4.713 4.594 4.811 . 0 0 "[ .]" 1
152 1 16 ALA HA 1 17 ARG H 2.500 . 2.700 2.678 2.600 2.728 0.028 4 0 "[ .]" 1
153 1 16 ALA MB 1 18 GLU H 5.000 3.500 6.500 4.745 4.391 4.965 . 0 0 "[ .]" 1
154 1 17 ARG H 1 17 ARG HA 2.500 . 3.000 2.999 2.964 3.030 0.030 1 0 "[ .]" 1
155 1 17 ARG H 1 17 ARG HB2 3.500 2.500 3.500 2.937 2.597 3.250 . 0 0 "[ .]" 1
156 1 17 ARG H 1 17 ARG HB3 3.500 2.500 3.500 2.772 2.494 3.208 0.006 1 0 "[ .]" 1
157 1 17 ARG H 1 18 GLU H 2.500 . 2.500 2.298 2.160 2.484 . 0 0 "[ .]" 1
158 1 17 ARG HA 1 17 ARG HB2 3.500 . 2.800 2.591 2.491 2.696 . 0 0 "[ .]" 1
159 1 17 ARG HA 1 17 ARG HB3 5.000 2.500 3.500 3.096 3.086 3.103 . 0 0 "[ .]" 1
160 1 17 ARG HA 1 18 GLU H 3.500 2.500 3.500 3.215 2.753 3.509 0.009 4 0 "[ .]" 1
161 1 17 ARG HB2 1 17 ARG QD 5.254 2.500 4.500 2.780 2.487 3.323 0.013 4 0 "[ .]" 1
162 1 17 ARG HB2 1 17 ARG HE 5.000 3.500 5.000 4.211 3.779 4.680 . 0 0 "[ .]" 1
163 1 17 ARG QD 1 17 ARG QG 2.500 . 4.500 2.093 2.075 2.116 . 0 0 "[ .]" 1
164 1 18 GLU H 1 18 GLU HA 2.500 . 2.500 2.394 2.390 2.399 . 0 0 "[ .]" 1
165 1 18 GLU H 1 18 GLU HB2 5.000 3.500 4.500 4.104 4.068 4.140 . 0 0 "[ .]" 1
166 1 18 GLU H 1 18 GLU HB3 3.500 2.500 3.500 3.447 3.330 3.521 0.021 2 0 "[ .]" 1
167 1 18 GLU H 1 18 GLU HG2 3.500 2.510 3.500 3.009 2.641 4.109 0.609 1 1 "[+ .]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 9:37:23 AM GMT (wattos1)