NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387039 |
1m4f   |
5501 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m4f
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 235
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 1116.516
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0699
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.1538
_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 THR 1.747 0.162 7 0 "[ . 1 . 2]"
1 3 HIS 0.933 0.162 7 0 "[ . 1 . 2]"
1 4 PHE 2.324 0.153 6 0 "[ . 1 . 2]"
1 5 PRO 0.837 0.095 20 0 "[ . 1 . 2]"
1 6 ILE 2.255 0.333 8 0 "[ . 1 . 2]"
1 7 CYS 0.378 0.078 18 0 "[ . 1 . 2]"
1 8 ILE 2.317 0.155 11 0 "[ . 1 . 2]"
1 9 PHE 2.989 0.793 10 1 "[ . + . 2]"
1 10 CYS 1.173 0.155 11 0 "[ . 1 . 2]"
1 11 CYS 0.549 0.165 3 0 "[ . 1 . 2]"
1 12 GLY 0.987 0.176 9 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 9.672 0.974 13 11 "[-** .* *1 +** ***]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 17.772 0.974 13 12 "[*** .* *1 +**- ***]"
1 17 SER 10.515 0.932 10 9 "[ * * -*+** .* * 2]"
1 18 LYS 23.462 0.932 10 11 "[* * ** **+** .- * 2]"
1 19 CYS 1.909 0.473 6 0 "[ . 1 . 2]"
1 20 GLY 0.169 0.035 18 0 "[ . 1 . 2]"
1 21 MET 3.936 0.793 10 1 "[ . + . 2]"
1 22 CYS 8.329 0.774 8 10 "[ * *- +*1 * ** * *2]"
1 23 CYS 1.590 0.218 19 0 "[ . 1 . 2]"
1 24 LYS 9.700 0.774 8 10 "[ * *- +*1 * ** * *2]"
1 25 THR 0.000 0.000 . 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 2 THR H 1 2 THR HA 2.800 . 3.800 2.875 2.749 2.948 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR H 1 2 THR MG 2.900 . 3.900 3.086 2.100 3.915 0.015 9 0 "[ . 1 . 2]" 1
3 1 2 THR H 1 3 HIS H 3.800 . 5.600 3.831 2.075 4.611 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR H 1 4 PHE H 3.800 . 5.600 5.187 4.114 5.684 0.084 6 0 "[ . 1 . 2]" 1
5 1 2 THR H 1 24 LYS HA 2.200 . 6.000 4.736 2.608 6.111 0.111 9 0 "[ . 1 . 2]" 1
6 1 2 THR H 1 24 LYS QB 2.900 . 4.000 3.890 3.258 4.111 0.111 7 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 24 LYS QB 3.000 . 4.100 3.823 3.234 4.044 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR H 1 24 LYS QG 3.800 . 5.700 5.242 2.620 5.751 0.051 3 0 "[ . 1 . 2]" 1
9 1 2 THR HA 1 2 THR MG 2.400 . 3.100 1.965 1.903 2.077 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR HA 1 3 HIS H 1.900 . 2.400 2.140 1.646 2.562 0.162 7 0 "[ . 1 . 2]" 1
11 1 3 HIS H 1 3 HIS HA 2.300 . 3.000 2.860 2.746 2.944 . 0 0 "[ . 1 . 2]" 1
12 1 3 HIS H 1 3 HIS QB 2.400 . 3.100 2.447 2.239 2.694 . 0 0 "[ . 1 . 2]" 1
13 1 3 HIS H 1 3 HIS QB 2.400 . 3.100 2.384 2.211 2.609 . 0 0 "[ . 1 . 2]" 1
14 1 3 HIS H 1 4 PHE H 2.800 . 3.800 2.895 2.134 3.906 0.106 11 0 "[ . 1 . 2]" 1
15 1 3 HIS HA 1 4 PHE H 2.000 . 6.000 3.186 2.357 3.571 . 0 0 "[ . 1 . 2]" 1
16 1 3 HIS QB 1 4 PHE H 3.400 . 4.800 3.146 2.239 4.052 . 0 0 "[ . 1 . 2]" 1
17 1 3 HIS QB 1 5 PRO QG 3.500 . 6.000 5.648 4.255 6.063 0.063 14 0 "[ . 1 . 2]" 1
18 1 4 PHE H 1 4 PHE QB 2.400 . 3.100 2.733 2.311 3.162 0.062 12 0 "[ . 1 . 2]" 1
19 1 4 PHE H 1 4 PHE QD 3.100 . 4.300 3.422 2.055 4.453 0.153 6 0 "[ . 1 . 2]" 1
20 1 4 PHE H 1 5 PRO QD 3.300 . 4.700 3.071 2.140 4.207 . 0 0 "[ . 1 . 2]" 1
21 1 4 PHE HA 1 4 PHE QB 2.400 . 3.100 2.302 2.156 2.457 . 0 0 "[ . 1 . 2]" 1
22 1 4 PHE HA 1 4 PHE QD 2.700 . 3.600 2.843 2.096 3.731 0.131 9 0 "[ . 1 . 2]" 1
23 1 4 PHE HA 1 5 PRO QD 2.100 . 2.600 2.166 1.897 2.534 . 0 0 "[ . 1 . 2]" 1
24 1 4 PHE QB 1 4 PHE QD 2.400 . 3.100 2.156 2.125 2.204 . 0 0 "[ . 1 . 2]" 1
25 1 4 PHE QB 1 5 PRO QD 3.400 . 4.900 3.656 2.856 3.868 . 0 0 "[ . 1 . 2]" 1
26 1 4 PHE QD 1 5 PRO QD 3.500 . 5.100 3.997 3.484 4.615 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO HA 1 5 PRO QB 1.800 . 2.200 2.184 2.170 2.198 . 0 0 "[ . 1 . 2]" 1
28 1 5 PRO QB 1 5 PRO QD 2.700 . 3.600 2.828 2.736 2.984 . 0 0 "[ . 1 . 2]" 1
29 1 5 PRO QB 1 5 PRO QG 1.600 . 2.200 1.968 1.954 1.977 . 0 0 "[ . 1 . 2]" 1
30 1 5 PRO QB 1 6 ILE H 1.900 . 2.400 1.635 1.426 2.476 0.076 2 0 "[ . 1 . 2]" 1
31 1 5 PRO QB 1 23 CYS QB 3.600 . 5.200 4.387 2.307 5.295 0.095 20 0 "[ . 1 . 2]" 1
32 1 5 PRO HB2 1 23 CYS QB 2.700 . 6.000 4.727 2.379 5.862 . 0 0 "[ . 1 . 2]" 1
33 1 5 PRO QD 1 5 PRO QG 2.300 . 2.900 1.958 1.943 1.975 . 0 0 "[ . 1 . 2]" 1
34 1 5 PRO HG2 1 23 CYS HB2 2.800 . 3.800 3.070 1.856 3.841 0.041 16 0 "[ . 1 . 2]" 1
35 1 5 PRO QG 1 6 ILE HG13 4.200 . 6.000 4.997 3.445 6.034 0.034 8 0 "[ . 1 . 2]" 1
36 1 5 PRO QG 1 7 CYS QB 2.800 . 6.000 4.049 2.832 5.575 . 0 0 "[ . 1 . 2]" 1
37 1 5 PRO QG 1 23 CYS QB 3.200 . 4.500 3.043 1.850 3.816 0.050 10 0 "[ . 1 . 2]" 1
38 1 6 ILE H 1 6 ILE HA 2.400 . 3.100 2.899 2.827 2.944 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE H 1 6 ILE MD 4.200 . 6.000 3.504 1.928 3.899 0.072 18 0 "[ . 1 . 2]" 1
40 1 6 ILE H 1 6 ILE HG12 1.900 . 2.300 1.953 1.657 2.325 0.025 18 0 "[ . 1 . 2]" 1
41 1 6 ILE H 1 6 ILE HG13 2.700 . 3.600 2.904 2.265 3.573 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE H 1 6 ILE MG 2.600 . 3.500 2.916 2.543 3.719 0.219 8 0 "[ . 1 . 2]" 1
43 1 6 ILE H 1 7 CYS H 2.000 . 2.500 2.262 1.788 2.535 0.035 11 0 "[ . 1 . 2]" 1
44 1 6 ILE H 1 8 ILE H 3.200 . 4.500 4.315 2.743 4.601 0.101 13 0 "[ . 1 . 2]" 1
45 1 6 ILE HA 1 6 ILE HB 2.400 . 3.100 2.560 2.490 3.018 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE HA 1 6 ILE MD 4.900 . 6.000 4.028 1.994 4.188 0.006 8 0 "[ . 1 . 2]" 1
47 1 6 ILE HA 1 6 ILE HG12 3.300 . 4.700 3.607 3.112 3.699 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE HA 1 6 ILE HG13 3.100 . 4.300 3.786 3.736 4.237 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE HA 1 6 ILE MG 2.100 . 2.700 2.183 2.073 2.319 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE HA 1 7 CYS H 1.900 . 6.000 3.422 2.839 3.542 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE HB 1 6 ILE HG13 2.300 . 3.000 2.435 2.298 2.464 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE HB 1 6 ILE MG 1.800 . 2.200 2.094 2.065 2.127 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE HB 1 7 CYS H 3.200 . 4.500 3.728 2.654 4.295 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE HB 1 8 ILE H 2.900 . 4.000 3.776 3.002 4.148 0.148 19 0 "[ . 1 . 2]" 1
55 1 6 ILE MD 1 6 ILE HG13 2.000 . 2.500 2.096 2.074 2.119 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE MD 1 7 CYS H 4.000 . 6.000 4.050 3.169 5.307 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE HG12 1 6 ILE MG 2.200 . 2.800 2.465 2.303 3.133 0.333 8 0 "[ . 1 . 2]" 1
58 1 6 ILE HG12 1 7 CYS H 3.200 . 4.500 2.968 1.958 4.538 0.038 11 0 "[ . 1 . 2]" 1
59 1 6 ILE HG13 1 6 ILE MG 2.700 . 3.600 3.123 2.295 3.207 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE MG 1 7 CYS H 3.300 . 4.600 4.063 3.644 4.405 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE MG 1 8 ILE H 2.300 . 6.000 4.767 3.231 5.075 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS H 1 7 CYS HA 2.200 . 2.800 2.263 2.258 2.271 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS H 1 7 CYS QB 2.500 . 3.300 3.139 2.898 3.335 0.035 5 0 "[ . 1 . 2]" 1
64 1 7 CYS HA 1 7 CYS QB 2.400 . 3.100 2.410 2.355 2.489 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS HA 1 22 CYS H 2.600 . 6.000 4.236 3.300 5.088 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS HA 1 23 CYS HA 2.200 . 2.800 2.004 1.522 2.782 0.078 18 0 "[ . 1 . 2]" 1
67 1 7 CYS QB 1 8 ILE H 3.000 . 4.100 3.916 3.768 4.014 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS QB 1 23 CYS HA 3.500 . 5.000 3.324 2.052 4.757 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS QB 1 23 CYS QB 3.900 . 5.900 3.487 2.819 4.145 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE H 1 8 ILE HA 2.300 . 2.900 2.810 2.740 2.894 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE H 1 8 ILE MD 4.500 . 6.000 3.640 3.582 3.738 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE H 1 8 ILE HG12 2.400 . 3.100 2.071 1.881 2.369 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE H 1 8 ILE HG13 2.800 . 3.800 3.195 2.876 3.559 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE H 1 8 ILE MG 2.400 . 3.200 2.301 2.105 2.575 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE H 1 22 CYS H 2.500 . 6.000 4.593 3.596 5.143 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE H 1 23 CYS HA 2.000 . 6.000 2.977 2.123 3.410 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE HA 1 8 ILE MD 4.400 . 6.000 4.177 4.165 4.191 . 0 0 "[ . 1 . 2]" 1
78 1 8 ILE HA 1 8 ILE HG12 3.400 . 4.800 3.721 3.692 3.768 . 0 0 "[ . 1 . 2]" 1
79 1 8 ILE HA 1 8 ILE MG 2.100 . 2.600 2.298 2.161 2.422 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE HA 1 9 PHE H 1.500 . 2.200 2.201 2.155 2.251 0.051 17 0 "[ . 1 . 2]" 1
81 1 8 ILE HA 1 9 PHE QB 3.700 . 5.400 4.110 4.046 4.166 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE HB 1 8 ILE MD 2.600 . 3.500 2.420 2.321 2.497 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE HB 1 8 ILE HG12 2.400 . 3.100 3.029 3.027 3.034 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE HB 1 8 ILE HG13 2.500 . 3.300 2.469 2.448 2.484 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE HB 1 8 ILE MG 1.700 . 2.200 2.101 2.075 2.127 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE HB 1 9 PHE H 2.200 . 6.000 2.976 2.696 3.277 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE MD 1 8 ILE HG12 2.100 . 2.700 2.094 2.070 2.121 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE MD 1 9 PHE HB3 3.700 . 5.400 3.888 2.691 4.478 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE MD 1 10 CYS QB 2.800 . 6.000 4.051 3.498 4.810 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE HG12 1 8 ILE MG 2.500 . 3.300 2.367 2.292 2.472 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE HG12 1 9 PHE H 4.300 . 6.000 4.989 4.774 5.150 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE HG12 1 10 CYS QB 3.900 . 5.800 5.013 4.325 5.456 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE HG12 1 22 CYS QB 3.100 . 4.300 3.774 2.075 4.386 0.086 11 0 "[ . 1 . 2]" 1
94 1 8 ILE HG13 1 9 PHE H 3.900 . 5.800 4.152 3.803 4.389 . 0 0 "[ . 1 . 2]" 1
95 1 8 ILE HG13 1 22 CYS H 3.100 . 4.300 4.002 3.074 4.331 0.031 19 0 "[ . 1 . 2]" 1
96 1 8 ILE MG 1 9 PHE H 3.500 . 5.100 3.838 3.693 3.995 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE MG 1 10 CYS QB 2.300 . 6.000 5.742 5.310 6.155 0.155 11 0 "[ . 1 . 2]" 1
98 1 9 PHE H 1 9 PHE HA 2.400 . 3.100 2.818 2.761 2.889 . 0 0 "[ . 1 . 2]" 1
99 1 9 PHE H 1 9 PHE QB 1.800 . 2.200 2.251 2.228 2.275 0.075 14 0 "[ . 1 . 2]" 1
100 1 9 PHE H 1 9 PHE QD 4.600 . 6.000 4.173 4.126 4.198 . 0 0 "[ . 1 . 2]" 1
101 1 9 PHE H 1 10 CYS H 4.100 . 6.000 4.503 3.989 4.641 . 0 0 "[ . 1 . 2]" 1
102 1 9 PHE HA 1 10 CYS H 1.700 . 2.200 2.206 2.148 2.277 0.077 14 0 "[ . 1 . 2]" 1
103 1 9 PHE HA 1 22 CYS H 3.200 . 4.400 3.182 2.422 3.786 . 0 0 "[ . 1 . 2]" 1
104 1 9 PHE QB 1 9 PHE QD 1.900 . 2.300 2.164 2.135 2.211 . 0 0 "[ . 1 . 2]" 1
105 1 9 PHE QB 1 10 CYS H 3.400 . 4.800 3.719 3.490 4.027 . 0 0 "[ . 1 . 2]" 1
106 1 9 PHE QB 1 10 CYS HA 3.500 . 5.000 4.523 4.388 4.855 . 0 0 "[ . 1 . 2]" 1
107 1 9 PHE QB 1 21 MET HA 4.100 . 6.000 3.853 3.302 4.359 . 0 0 "[ . 1 . 2]" 1
108 1 9 PHE HB2 1 21 MET QG 3.300 . 4.600 3.673 2.264 5.393 0.793 10 1 "[ . + . 2]" 1
109 1 9 PHE QD 1 10 CYS H 3.200 . 4.500 2.789 2.311 3.741 . 0 0 "[ . 1 . 2]" 1
110 1 9 PHE QD 1 19 CYS QB 4.700 . 6.000 4.993 4.159 5.812 . 0 0 "[ . 1 . 2]" 1
111 1 9 PHE QD 1 20 GLY QA 3.200 . 4.500 3.677 3.087 4.208 . 0 0 "[ . 1 . 2]" 1
112 1 9 PHE QD 1 21 MET H 3.100 . 4.300 3.803 2.684 4.438 0.138 6 0 "[ . 1 . 2]" 1
113 1 9 PHE QD 1 21 MET QB 4.400 . 6.000 4.176 3.519 4.837 . 0 0 "[ . 1 . 2]" 1
114 1 9 PHE QD 1 21 MET QG 3.100 . 4.300 2.759 1.891 3.950 0.009 6 0 "[ . 1 . 2]" 1
115 1 9 PHE QE 1 19 CYS QB 3.000 . 4.200 3.208 2.285 4.244 0.044 19 0 "[ . 1 . 2]" 1
116 1 9 PHE QE 1 20 GLY QA 2.600 . 3.400 2.678 1.770 3.421 0.030 19 0 "[ . 1 . 2]" 1
117 1 9 PHE QE 1 21 MET QG 4.300 . 6.000 4.074 3.259 4.798 . 0 0 "[ . 1 . 2]" 1
118 1 9 PHE HZ 1 19 CYS QB 2.700 . 3.600 2.804 1.773 3.656 0.056 19 0 "[ . 1 . 2]" 1
119 1 10 CYS H 1 10 CYS HA 2.300 . 2.900 2.887 2.833 2.942 0.042 17 0 "[ . 1 . 2]" 1
120 1 10 CYS H 1 10 CYS QB 3.600 . 5.200 2.901 2.247 3.227 . 0 0 "[ . 1 . 2]" 1
121 1 10 CYS H 1 11 CYS H 4.200 . 6.000 4.150 3.746 4.622 . 0 0 "[ . 1 . 2]" 1
122 1 10 CYS H 1 20 GLY H 3.200 . 4.500 3.647 3.242 4.225 . 0 0 "[ . 1 . 2]" 1
123 1 10 CYS H 1 20 GLY QA 3.600 . 5.300 4.391 3.981 4.787 . 0 0 "[ . 1 . 2]" 1
124 1 10 CYS H 1 21 MET HA 2.700 . 3.600 2.779 1.731 3.601 0.069 6 0 "[ . 1 . 2]" 1
125 1 10 CYS H 1 22 CYS H 3.600 . 5.200 3.241 2.396 3.781 . 0 0 "[ . 1 . 2]" 1
126 1 10 CYS HA 1 10 CYS QB 2.200 . 2.800 2.253 2.152 2.467 . 0 0 "[ . 1 . 2]" 1
127 1 10 CYS HA 1 11 CYS H 2.000 . 2.500 2.232 2.146 2.515 0.015 4 0 "[ . 1 . 2]" 1
128 1 10 CYS QB 1 11 CYS H 3.200 . 4.500 3.266 2.571 3.910 . 0 0 "[ . 1 . 2]" 1
129 1 10 CYS QB 1 11 CYS H 2.700 . 3.600 2.378 2.251 2.558 . 0 0 "[ . 1 . 2]" 1
130 1 11 CYS H 1 11 CYS HA 2.900 . 3.900 2.921 2.859 2.947 . 0 0 "[ . 1 . 2]" 1
131 1 11 CYS H 1 11 CYS QB 3.000 . 4.100 2.465 2.277 2.633 . 0 0 "[ . 1 . 2]" 1
132 1 11 CYS HA 1 11 CYS QB 2.600 . 3.400 2.378 2.326 2.443 . 0 0 "[ . 1 . 2]" 1
133 1 11 CYS HA 1 12 GLY H 1.800 . 2.200 2.168 2.119 2.365 0.165 3 0 "[ . 1 . 2]" 1
134 1 11 CYS HA 1 19 CYS HA 2.200 . 2.800 1.874 1.527 2.321 0.073 10 0 "[ . 1 . 2]" 1
135 1 11 CYS HA 1 19 CYS QB 4.300 . 6.000 3.381 2.323 4.371 . 0 0 "[ . 1 . 2]" 1
136 1 11 CYS QB 1 12 GLY H 3.700 . 5.400 3.704 3.096 4.027 . 0 0 "[ . 1 . 2]" 1
137 1 11 CYS QB 1 19 CYS HA 3.900 . 5.800 2.882 2.055 3.989 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLY H 1 12 GLY QA 2.100 . 2.700 2.232 2.199 2.484 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLY H 1 17 SER HA 3.700 . 5.400 5.052 4.225 5.454 0.054 6 0 "[ . 1 . 2]" 1
140 1 12 GLY H 1 18 LYS H 2.900 . 4.000 3.227 2.665 3.606 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLY H 1 18 LYS HA 3.700 . 5.400 4.705 4.052 5.168 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLY QA 1 17 SER HA 3.000 . 4.100 3.808 2.004 4.276 0.176 9 0 "[ . 1 . 2]" 1
143 1 12 GLY QA 1 18 LYS H 2.800 . 3.800 2.712 2.249 3.345 . 0 0 "[ . 1 . 2]" 1
144 1 13 CYS H 1 13 CYS QB 3.400 . 4.900 2.293 2.104 2.686 . 0 0 "[ . 1 . 2]" 1
145 1 13 CYS HA 1 13 CYS QB 2.200 . 2.800 2.210 2.180 2.288 . 0 0 "[ . 1 . 2]" 1
146 1 14 CYS HA 1 14 CYS QB 3.300 . 4.700 2.209 2.145 2.275 . 0 0 "[ . 1 . 2]" 1
147 1 14 CYS HA 1 15 HIS H 3.900 . 5.800 3.564 3.278 3.618 . 0 0 "[ . 1 . 2]" 1
148 1 14 CYS QB 1 16 ARG HD2 1.600 . 6.000 6.327 3.325 6.974 0.974 13 11 "[-** .* *1 +** ***]" 1
149 1 15 HIS H 1 15 HIS HA 2.500 . 3.300 2.801 2.732 2.849 . 0 0 "[ . 1 . 2]" 1
150 1 15 HIS H 1 15 HIS QB 3.000 . 4.100 2.423 2.239 2.641 . 0 0 "[ . 1 . 2]" 1
151 1 15 HIS H 1 16 ARG H 3.400 . 4.900 3.140 2.576 3.691 . 0 0 "[ . 1 . 2]" 1
152 1 15 HIS QB 1 15 HIS HD1 3.000 . 4.100 2.584 2.416 2.752 . 0 0 "[ . 1 . 2]" 1
153 1 16 ARG HA 1 16 ARG QB 2.100 . 2.700 2.321 2.166 2.527 . 0 0 "[ . 1 . 2]" 1
154 1 16 ARG HA 1 16 ARG QG 3.500 . 5.000 2.929 2.220 3.511 . 0 0 "[ . 1 . 2]" 1
155 1 16 ARG HA 1 17 SER H 2.200 . 2.800 2.322 2.160 2.725 . 0 0 "[ . 1 . 2]" 1
156 1 16 ARG HA 1 18 LYS H 4.100 . 6.000 4.416 4.143 6.030 0.030 10 0 "[ . 1 . 2]" 1
157 1 16 ARG QB 1 16 ARG QD 2.800 . 3.700 2.407 2.110 2.756 . 0 0 "[ . 1 . 2]" 1
158 1 16 ARG QB 1 16 ARG HE 3.500 . 5.000 3.422 2.029 4.448 . 0 0 "[ . 1 . 2]" 1
159 1 16 ARG QB 1 16 ARG QG 2.100 . 2.700 2.010 1.984 2.085 . 0 0 "[ . 1 . 2]" 1
160 1 16 ARG QB 1 17 SER H 3.400 . 4.800 3.594 3.007 4.007 . 0 0 "[ . 1 . 2]" 1
161 1 16 ARG QB 1 18 LYS H 3.800 . 5.600 3.585 2.935 5.642 0.042 10 0 "[ . 1 . 2]" 1
162 1 16 ARG QD 1 18 LYS HG2 2.500 . 6.000 4.656 1.732 6.359 0.359 6 0 "[ . 1 . 2]" 1
163 1 16 ARG QD 1 16 ARG HE 2.100 . 2.700 2.352 2.176 2.494 . 0 0 "[ . 1 . 2]" 1
164 1 16 ARG QD 1 18 LYS H 2.500 . 6.000 5.232 2.632 6.028 0.028 9 0 "[ . 1 . 2]" 1
165 1 16 ARG QD 1 18 LYS HD3 2.400 . 6.000 5.302 3.124 6.473 0.473 6 0 "[ . 1 . 2]" 1
166 1 16 ARG HE 1 16 ARG QG 2.800 . 3.800 2.690 2.252 3.337 . 0 0 "[ . 1 . 2]" 1
167 1 16 ARG HE 1 18 LYS QD 2.400 . 6.000 5.355 3.962 6.659 0.659 6 3 "[* .+ 1 .- 2]" 1
168 1 16 ARG QG 1 17 SER H 4.300 . 6.000 4.297 3.930 4.822 . 0 0 "[ . 1 . 2]" 1
169 1 16 ARG QG 1 17 SER H 4.000 . 6.000 3.803 3.428 4.424 . 0 0 "[ . 1 . 2]" 1
170 1 16 ARG QG 1 18 LYS H 3.300 . 4.700 4.093 2.653 4.901 0.201 11 0 "[ . 1 . 2]" 1
171 1 16 ARG QG 1 18 LYS QD 2.500 . 3.300 3.159 2.378 3.675 0.375 14 0 "[ . 1 . 2]" 1
172 1 17 SER H 1 17 SER HA 2.400 . 3.100 2.834 2.765 2.886 . 0 0 "[ . 1 . 2]" 1
173 1 17 SER H 1 17 SER QB 2.500 . 3.300 2.443 2.255 2.637 . 0 0 "[ . 1 . 2]" 1
174 1 17 SER H 1 18 LYS H 2.700 . 3.600 3.699 3.470 4.532 0.932 10 1 "[ . + . 2]" 1
175 1 17 SER H 1 18 LYS QD 3.300 . 4.700 4.880 2.589 5.378 0.678 5 8 "[ * + -*1** .* * 2]" 1
176 1 17 SER HA 1 18 LYS H 2.700 . 3.600 2.505 2.168 2.639 . 0 0 "[ . 1 . 2]" 1
177 1 17 SER QB 1 18 LYS H 3.300 . 4.700 3.914 3.148 4.038 . 0 0 "[ . 1 . 2]" 1
178 1 18 LYS H 1 18 LYS QB 3.100 . 4.300 3.162 2.579 3.318 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS H 1 18 LYS QD 2.900 . 4.000 3.961 2.212 4.443 0.443 2 0 "[ . 1 . 2]" 1
180 1 18 LYS H 1 18 LYS QG 2.300 . 3.000 2.537 2.265 3.049 0.049 2 0 "[ . 1 . 2]" 1
181 1 18 LYS H 1 19 CYS H 3.900 . 5.800 4.245 4.112 4.326 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS HA 1 18 LYS QB 2.300 . 2.900 2.200 2.158 2.374 . 0 0 "[ . 1 . 2]" 1
183 1 18 LYS HA 1 18 LYS QD 3.400 . 4.800 4.127 2.152 4.571 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS HA 1 18 LYS QG 3.300 . 4.700 3.256 2.495 3.476 . 0 0 "[ . 1 . 2]" 1
185 1 18 LYS HA 1 19 CYS H 1.800 . 2.200 2.179 2.123 2.226 0.026 3 0 "[ . 1 . 2]" 1
186 1 18 LYS QB 1 18 LYS QG 2.200 . 2.800 2.067 2.004 2.088 . 0 0 "[ . 1 . 2]" 1
187 1 18 LYS QB 1 19 CYS H 2.700 . 3.600 3.073 2.861 3.340 . 0 0 "[ . 1 . 2]" 1
188 1 18 LYS QD 1 18 LYS QG 2.300 . 2.900 2.041 1.996 2.093 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS QE 1 18 LYS QG 2.800 . 3.800 2.400 2.136 2.801 . 0 0 "[ . 1 . 2]" 1
190 1 18 LYS QG 1 19 CYS H 3.900 . 5.800 4.245 3.985 4.693 . 0 0 "[ . 1 . 2]" 1
191 1 19 CYS H 1 19 CYS HA 2.400 . 3.100 2.910 2.805 2.945 . 0 0 "[ . 1 . 2]" 1
192 1 19 CYS H 1 19 CYS QB 2.300 . 3.000 2.441 2.284 2.632 . 0 0 "[ . 1 . 2]" 1
193 1 19 CYS H 1 20 GLY H 4.300 . 6.000 3.881 3.796 3.987 . 0 0 "[ . 1 . 2]" 1
194 1 19 CYS HA 1 19 CYS QB 2.400 . 3.100 2.398 2.346 2.439 . 0 0 "[ . 1 . 2]" 1
195 1 19 CYS HA 1 20 GLY H 1.800 . 2.200 2.178 2.128 2.235 0.035 18 0 "[ . 1 . 2]" 1
196 1 19 CYS QB 1 20 GLY H 3.100 . 4.300 3.141 2.894 3.710 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLY QA 1 21 MET H 2.100 . 2.600 2.191 2.139 2.279 . 0 0 "[ . 1 . 2]" 1
198 1 21 MET H 1 21 MET HA 2.300 . 3.000 2.855 2.760 2.946 . 0 0 "[ . 1 . 2]" 1
199 1 21 MET H 1 21 MET QB 2.200 . 2.800 2.470 2.416 2.612 . 0 0 "[ . 1 . 2]" 1
200 1 21 MET H 1 21 MET QB 2.100 . 2.700 2.390 2.112 2.545 . 0 0 "[ . 1 . 2]" 1
201 1 21 MET H 1 21 MET QG 2.200 . 2.800 2.481 2.081 3.154 0.354 8 0 "[ . 1 . 2]" 1
202 1 21 MET H 1 22 CYS H 4.300 . 6.000 4.515 4.224 4.630 . 0 0 "[ . 1 . 2]" 1
203 1 21 MET HA 1 21 MET QB 2.300 . 2.900 2.366 2.333 2.391 . 0 0 "[ . 1 . 2]" 1
204 1 21 MET HA 1 21 MET QB 2.500 . 3.300 2.346 2.254 2.375 . 0 0 "[ . 1 . 2]" 1
205 1 21 MET HA 1 21 MET QG 2.700 . 3.600 2.473 2.420 2.978 . 0 0 "[ . 1 . 2]" 1
206 1 21 MET HA 1 22 CYS H 1.600 . 2.200 2.169 2.130 2.242 0.042 8 0 "[ . 1 . 2]" 1
207 1 21 MET QB 1 21 MET HG2 2.200 . 2.800 2.001 1.926 2.068 . 0 0 "[ . 1 . 2]" 1
208 1 21 MET QB 1 21 MET ME 1.800 . 2.200 1.942 1.792 2.201 0.001 1 0 "[ . 1 . 2]" 1
209 1 21 MET QB 1 21 MET QG 2.200 . 2.800 2.065 1.989 2.087 . 0 0 "[ . 1 . 2]" 1
210 1 21 MET QB 1 22 CYS H 3.200 . 4.500 3.148 2.838 3.419 . 0 0 "[ . 1 . 2]" 1
211 1 21 MET QG 1 22 CYS H 4.300 . 6.000 4.170 3.956 4.606 . 0 0 "[ . 1 . 2]" 1
212 1 22 CYS H 1 22 CYS HA 2.700 . 3.600 2.916 2.859 2.949 . 0 0 "[ . 1 . 2]" 1
213 1 22 CYS H 1 22 CYS QB 2.600 . 3.500 2.547 2.207 3.080 . 0 0 "[ . 1 . 2]" 1
214 1 22 CYS H 1 23 CYS H 3.400 . 4.900 3.730 3.146 4.530 . 0 0 "[ . 1 . 2]" 1
215 1 22 CYS HA 1 22 CYS QB 2.800 . 3.700 2.336 2.173 2.478 . 0 0 "[ . 1 . 2]" 1
216 1 22 CYS HA 1 23 CYS H 1.900 . 6.000 2.443 2.129 2.797 . 0 0 "[ . 1 . 2]" 1
217 1 22 CYS QB 1 23 CYS H 4.200 . 6.000 3.713 3.116 4.040 . 0 0 "[ . 1 . 2]" 1
218 1 22 CYS QB 1 24 LYS QE 2.200 . 6.000 5.841 2.663 6.774 0.774 8 10 "[ * *- +*1 * ** * *2]" 1
219 1 23 CYS H 1 23 CYS HA 2.500 . 3.300 2.855 2.752 2.951 . 0 0 "[ . 1 . 2]" 1
220 1 23 CYS H 1 23 CYS QB 2.400 . 3.100 2.469 2.302 2.820 . 0 0 "[ . 1 . 2]" 1
221 1 23 CYS H 1 24 LYS H 2.800 . 3.800 3.347 2.086 4.018 0.218 19 0 "[ . 1 . 2]" 1
222 1 23 CYS HA 1 23 CYS QB 2.400 . 3.100 2.378 2.253 2.463 . 0 0 "[ . 1 . 2]" 1
223 1 23 CYS QB 1 24 LYS H 2.900 . 4.000 2.495 1.742 3.991 0.058 15 0 "[ . 1 . 2]" 1
224 1 24 LYS H 1 24 LYS HA 2.300 . 3.000 2.797 2.704 2.880 . 0 0 "[ . 1 . 2]" 1
225 1 24 LYS H 1 24 LYS QB 2.800 . 3.800 2.554 2.292 2.788 . 0 0 "[ . 1 . 2]" 1
226 1 24 LYS H 1 24 LYS QB 2.800 . 3.800 2.425 1.802 2.689 . 0 0 "[ . 1 . 2]" 1
227 1 24 LYS H 1 24 LYS QG 2.500 . 3.300 2.124 1.682 3.336 0.036 8 0 "[ . 1 . 2]" 1
228 1 24 LYS HA 1 24 LYS QB 2.100 . 2.700 2.249 2.154 2.407 . 0 0 "[ . 1 . 2]" 1
229 1 24 LYS HA 1 24 LYS QG 3.300 . 4.700 3.064 2.422 3.506 . 0 0 "[ . 1 . 2]" 1
230 1 24 LYS QB 1 24 LYS QG 2.200 . 2.800 2.044 1.984 2.089 . 0 0 "[ . 1 . 2]" 1
231 1 24 LYS QE 1 24 LYS QG 3.000 . 4.100 2.389 2.135 2.798 . 0 0 "[ . 1 . 2]" 1
232 1 25 THR H 1 25 THR HB 2.900 . 4.000 3.344 2.554 3.917 . 0 0 "[ . 1 . 2]" 1
233 1 25 THR H 1 25 THR MG 3.300 . 4.700 2.831 2.047 4.000 . 0 0 "[ . 1 . 2]" 1
234 1 25 THR HA 1 25 THR HB 2.700 . 3.600 2.624 2.361 3.029 . 0 0 "[ . 1 . 2]" 1
235 1 25 THR HA 1 25 THR MG 2.900 . 3.900 2.512 2.246 3.206 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 7:59:15 AM GMT (wattos1)