NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595065 |
2muf   |
25209 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2muf
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 202
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 9.182
_Distance_constraint_stats_list.Viol_max 0.662
_Distance_constraint_stats_list.Viol_rms 0.0909
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0455
_Distance_constraint_stats_list.Viol_average_violations_only 0.1009
_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 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.555 0.195 1 0 "[ ]"
1 3 VAL 0.312 0.143 1 0 "[ ]"
1 4 ARG 0.906 0.442 1 0 "[ ]"
1 5 TYR 0.592 0.188 1 0 "[ ]"
1 6 ASN 0.677 0.182 1 0 "[ ]"
1 7 LYS 0.310 0.084 1 0 "[ ]"
1 8 SER 0.551 0.189 1 0 "[ ]"
1 9 PHE 0.332 0.178 1 0 "[ ]"
1 10 ILE 1.148 0.189 1 0 "[ ]"
1 11 ASN 0.200 0.093 1 0 "[ ]"
1 12 ASN 0.268 0.080 1 0 "[ ]"
1 13 ARG 0.597 0.177 1 0 "[ ]"
1 14 LEU 1.464 0.662 1 1 [+]
1 15 LEU 1.025 0.470 1 0 "[ ]"
1 16 ASN 0.960 0.177 1 0 "[ ]"
1 17 GLU 0.574 0.191 1 0 "[ ]"
1 18 HIS 0.547 0.121 1 0 "[ ]"
1 19 ALA 0.882 0.447 1 0 "[ ]"
1 20 HIS 0.787 0.447 1 0 "[ ]"
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 2 ASP H 2.800 . 2.800 2.357 2.357 2.357 . 0 0 "[ ]" 1
2 1 2 ASP H 1 2 ASP HA 2.800 . 2.800 2.995 2.995 2.995 0.195 1 0 "[ ]" 1
3 1 2 ASP H 1 2 ASP HB2 2.800 . 2.800 2.862 2.862 2.862 0.062 1 0 "[ ]" 1
4 1 2 ASP H 1 2 ASP HB3 3.500 2.800 3.500 2.772 2.772 2.772 0.028 1 0 "[ ]" 1
5 1 2 ASP H 1 3 VAL H 2.800 . 2.800 2.849 2.849 2.849 0.049 1 0 "[ ]" 1
6 1 2 ASP HA 1 2 ASP HB2 2.800 . 2.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
7 1 2 ASP HA 1 2 ASP HB3 2.800 . 2.800 2.994 2.994 2.994 0.194 1 0 "[ ]" 1
8 1 2 ASP HA 1 3 VAL H 2.800 . 2.800 2.826 2.826 2.826 0.026 1 0 "[ ]" 1
9 1 3 VAL H 1 3 VAL HA 2.800 . 2.800 2.838 2.838 2.838 0.038 1 0 "[ ]" 1
10 1 3 VAL H 1 3 VAL HB 3.500 2.800 3.500 3.643 3.643 3.643 0.143 1 0 "[ ]" 1
11 1 3 VAL H 1 3 VAL MG1 2.800 . 3.800 2.411 2.411 2.411 . 0 0 "[ ]" 1
12 1 3 VAL H 1 3 VAL MG2 2.800 . 3.800 2.147 2.147 2.147 . 0 0 "[ ]" 1
13 1 3 VAL H 1 4 ARG H 3.500 2.800 3.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
14 1 3 VAL HA 1 3 VAL HB 2.800 . 2.800 2.453 2.453 2.453 . 0 0 "[ ]" 1
15 1 3 VAL HA 1 3 VAL MG1 2.800 . 3.800 2.320 2.320 2.320 . 0 0 "[ ]" 1
16 1 3 VAL HA 1 3 VAL MG2 2.800 . 3.800 3.314 3.314 3.314 . 0 0 "[ ]" 1
17 1 3 VAL HA 1 4 ARG H 3.500 2.800 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
18 1 4 ARG H 1 4 ARG HA 2.800 . 2.800 2.959 2.959 2.959 0.159 1 0 "[ ]" 1
19 1 4 ARG H 1 4 ARG HB2 3.500 2.800 3.500 2.758 2.758 2.758 0.042 1 0 "[ ]" 1
20 1 4 ARG H 1 4 ARG HB3 2.800 . 2.800 2.475 2.475 2.475 . 0 0 "[ ]" 1
21 1 4 ARG H 1 4 ARG QG 3.500 2.800 4.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
22 1 4 ARG H 1 5 TYR H 2.800 . 2.800 2.473 2.473 2.473 . 0 0 "[ ]" 1
23 1 4 ARG HA 1 4 ARG HB2 2.800 . 2.800 2.430 2.430 2.430 . 0 0 "[ ]" 1
24 1 4 ARG HA 1 4 ARG HB3 2.800 . 2.800 2.980 2.980 2.980 0.180 1 0 "[ ]" 1
25 1 4 ARG HA 1 4 ARG QD 3.500 2.800 4.500 2.358 2.358 2.358 0.442 1 0 "[ ]" 1
26 1 4 ARG HA 1 4 ARG QG 2.800 . 3.800 3.092 3.092 3.092 . 0 0 "[ ]" 1
27 1 4 ARG HA 1 5 TYR H 3.500 2.800 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
28 1 5 TYR H 1 5 TYR HA 2.800 . 2.800 2.862 2.862 2.862 0.062 1 0 "[ ]" 1
29 1 5 TYR H 1 5 TYR HB2 2.800 . 2.800 2.197 2.197 2.197 . 0 0 "[ ]" 1
30 1 5 TYR H 1 5 TYR HB3 2.800 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
31 1 5 TYR H 1 6 ASN H 2.800 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 1
32 1 5 TYR HA 1 5 TYR HB2 2.800 . 2.800 2.659 2.659 2.659 . 0 0 "[ ]" 1
33 1 5 TYR HA 1 5 TYR HB3 2.800 . 2.800 2.988 2.988 2.988 0.188 1 0 "[ ]" 1
34 1 5 TYR HA 1 5 TYR QD 2.800 . 4.800 2.883 2.883 2.883 . 0 0 "[ ]" 1
35 1 5 TYR HA 1 6 ASN H 3.500 2.800 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
36 1 5 TYR HB2 1 5 TYR QD 2.800 . 4.800 2.551 2.551 2.551 . 0 0 "[ ]" 1
37 1 5 TYR HB2 1 6 ASN H 3.500 2.800 3.500 3.682 3.682 3.682 0.182 1 0 "[ ]" 1
38 1 5 TYR HB3 1 5 TYR QD 2.800 . 4.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
39 1 5 TYR HB3 1 6 ASN H 3.500 2.800 3.500 2.717 2.717 2.717 0.083 1 0 "[ ]" 1
40 1 6 ASN H 1 6 ASN HA 3.500 2.800 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
41 1 6 ASN H 1 6 ASN HB2 3.500 2.800 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
42 1 6 ASN H 1 6 ASN HB3 3.500 2.800 3.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
43 1 6 ASN H 1 7 LYS H 2.800 . 2.800 2.252 2.252 2.252 . 0 0 "[ ]" 1
44 1 6 ASN HA 1 6 ASN HB2 3.500 2.800 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
45 1 6 ASN HA 1 6 ASN HB3 3.500 2.800 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
46 1 6 ASN HA 1 6 ASN HD21 2.800 . 2.800 2.834 2.834 2.834 0.034 1 0 "[ ]" 1
47 1 6 ASN HA 1 7 LYS H 3.500 2.800 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1
48 1 6 ASN HA 1 8 SER H 3.500 2.800 3.500 3.618 3.618 3.618 0.118 1 0 "[ ]" 1
49 1 6 ASN HA 1 9 PHE H 3.500 2.800 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
50 1 6 ASN HA 1 10 ILE H 3.500 2.800 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
51 1 6 ASN HB2 1 6 ASN HD21 3.500 2.800 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
52 1 6 ASN HB2 1 7 LYS H 3.500 2.800 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
53 1 6 ASN HB3 1 6 ASN HD21 2.800 . 2.800 2.552 2.552 2.552 . 0 0 "[ ]" 1
54 1 6 ASN HB3 1 7 LYS H 2.800 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
55 1 7 LYS H 1 7 LYS HA 2.800 . 2.800 2.871 2.871 2.871 0.071 1 0 "[ ]" 1
56 1 7 LYS H 1 7 LYS QB 2.800 . 3.800 2.445 2.445 2.445 . 0 0 "[ ]" 1
57 1 7 LYS H 1 7 LYS QD 2.800 . 3.800 3.276 3.276 3.276 . 0 0 "[ ]" 1
58 1 7 LYS H 1 7 LYS HG2 5.000 3.500 5.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
59 1 7 LYS H 1 7 LYS HG3 3.500 2.800 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 1
60 1 7 LYS H 1 8 SER H 2.800 . 2.800 2.884 2.884 2.884 0.084 1 0 "[ ]" 1
61 1 7 LYS HA 1 7 LYS QD 3.500 2.800 4.500 4.018 4.018 4.018 . 0 0 "[ ]" 1
62 1 7 LYS HA 1 7 LYS QE 2.800 . 3.800 3.263 3.263 3.263 . 0 0 "[ ]" 1
63 1 7 LYS HA 1 7 LYS HG2 3.500 2.800 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
64 1 7 LYS HA 1 7 LYS HG3 2.800 . 2.800 2.281 2.281 2.281 . 0 0 "[ ]" 1
65 1 7 LYS HA 1 8 SER H 3.500 2.800 3.500 3.346 3.346 3.346 . 0 0 "[ ]" 1
66 1 7 LYS HA 1 9 PHE H 5.000 3.500 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
67 1 7 LYS QB 1 8 SER H 2.800 . 3.800 3.329 3.329 3.329 . 0 0 "[ ]" 1
68 1 8 SER H 1 8 SER HA 2.800 . 2.800 2.867 2.867 2.867 0.067 1 0 "[ ]" 1
69 1 8 SER H 1 8 SER QB 2.800 . 3.800 3.114 3.114 3.114 . 0 0 "[ ]" 1
70 1 8 SER H 1 9 PHE H 2.800 . 2.800 2.271 2.271 2.271 . 0 0 "[ ]" 1
71 1 8 SER HA 1 9 PHE H 2.800 . 2.800 2.393 2.393 2.393 . 0 0 "[ ]" 1
72 1 8 SER HA 1 10 ILE H 3.500 2.800 3.500 3.689 3.689 3.689 0.189 1 0 "[ ]" 1
73 1 8 SER HA 1 11 ASN H 2.800 . 2.800 2.893 2.893 2.893 0.093 1 0 "[ ]" 1
74 1 8 SER HA 1 12 ASN H 3.500 2.800 3.500 3.352 3.352 3.352 . 0 0 "[ ]" 1
75 1 9 PHE H 1 9 PHE HA 2.800 . 2.800 2.978 2.978 2.978 0.178 1 0 "[ ]" 1
76 1 9 PHE H 1 9 PHE HB2 2.800 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 1
77 1 9 PHE H 1 9 PHE HB3 2.800 . 2.800 2.781 2.781 2.781 . 0 0 "[ ]" 1
78 1 9 PHE H 1 10 ILE H 2.800 . 2.800 1.847 1.847 1.847 . 0 0 "[ ]" 1
79 1 9 PHE HA 1 9 PHE HB2 2.800 . 2.800 2.661 2.661 2.661 . 0 0 "[ ]" 1
80 1 9 PHE HA 1 9 PHE HB3 3.500 2.800 3.500 3.092 3.092 3.092 . 0 0 "[ ]" 1
81 1 9 PHE HA 1 9 PHE QD 2.800 . 4.800 3.099 3.099 3.099 . 0 0 "[ ]" 1
82 1 9 PHE HA 1 10 ILE H 3.500 2.800 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
83 1 9 PHE HA 1 11 ASN H 5.000 3.500 5.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
84 1 9 PHE HA 1 12 ASN H 5.000 3.500 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
85 1 9 PHE HA 1 13 ARG H 5.000 3.500 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
86 1 9 PHE HB2 1 9 PHE QD 2.800 . 4.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
87 1 9 PHE HB2 1 10 ILE H 3.500 2.800 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
88 1 9 PHE HB3 1 9 PHE QD 2.800 . 4.800 2.530 2.530 2.530 . 0 0 "[ ]" 1
89 1 9 PHE HB3 1 10 ILE H 2.800 . 2.800 2.493 2.493 2.493 . 0 0 "[ ]" 1
90 1 10 ILE H 1 10 ILE HA 2.800 . 2.800 2.930 2.930 2.930 0.130 1 0 "[ ]" 1
91 1 10 ILE H 1 10 ILE HB 2.800 . 2.800 2.361 2.361 2.361 . 0 0 "[ ]" 1
92 1 10 ILE H 1 10 ILE HG12 2.800 . 2.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
93 1 10 ILE H 1 10 ILE HG13 3.500 2.800 3.500 3.615 3.615 3.615 0.115 1 0 "[ ]" 1
94 1 10 ILE H 1 10 ILE MG 3.500 2.800 4.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
95 1 10 ILE H 1 11 ASN H 2.800 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1
96 1 10 ILE HA 1 10 ILE HB 2.800 . 2.800 2.957 2.957 2.957 0.157 1 0 "[ ]" 1
97 1 10 ILE HA 1 10 ILE HG12 2.800 . 2.800 2.829 2.829 2.829 0.029 1 0 "[ ]" 1
98 1 10 ILE HA 1 10 ILE HG13 3.500 2.800 3.500 3.679 3.679 3.679 0.179 1 0 "[ ]" 1
99 1 10 ILE HA 1 10 ILE MG 2.800 . 3.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
100 1 10 ILE HA 1 11 ASN H 3.500 2.800 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
101 1 10 ILE HA 1 13 ARG H 3.500 2.800 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
102 1 10 ILE HA 1 13 ARG QB 2.800 . 3.800 2.992 2.992 2.992 . 0 0 "[ ]" 1
103 1 10 ILE HA 1 13 ARG QG 2.800 . 3.800 3.317 3.317 3.317 . 0 0 "[ ]" 1
104 1 10 ILE HB 1 11 ASN H 3.500 2.800 3.500 2.790 2.790 2.790 0.010 1 0 "[ ]" 1
105 1 10 ILE HB 1 12 ASN H 5.000 3.500 5.000 5.039 5.039 5.039 0.039 1 0 "[ ]" 1
106 1 11 ASN H 1 11 ASN HA 3.500 2.800 3.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
107 1 11 ASN H 1 11 ASN QB 2.800 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
108 1 11 ASN H 1 12 ASN H 2.800 . 2.800 2.544 2.544 2.544 . 0 0 "[ ]" 1
109 1 11 ASN HA 1 11 ASN HD21 2.800 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
110 1 11 ASN HA 1 12 ASN H 3.500 2.800 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
111 1 11 ASN HA 1 14 LEU QB 3.500 2.800 4.500 3.685 3.685 3.685 . 0 0 "[ ]" 1
112 1 11 ASN QB 1 11 ASN HD21 2.800 . 3.800 2.321 2.321 2.321 . 0 0 "[ ]" 1
113 1 12 ASN H 1 12 ASN HA 3.500 2.800 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
114 1 12 ASN H 1 12 ASN QB 2.800 . 3.800 2.275 2.275 2.275 . 0 0 "[ ]" 1
115 1 12 ASN H 1 13 ARG H 2.800 . 2.800 2.673 2.673 2.673 . 0 0 "[ ]" 1
116 1 12 ASN HA 1 12 ASN HD21 2.800 . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
117 1 12 ASN HA 1 13 ARG H 3.500 2.800 3.500 3.580 3.580 3.580 0.080 1 0 "[ ]" 1
118 1 12 ASN HA 1 14 LEU H 5.000 3.500 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
119 1 12 ASN HA 1 16 ASN H 5.000 3.500 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
120 1 12 ASN QB 1 12 ASN HD21 2.800 . 3.800 2.728 2.728 2.728 . 0 0 "[ ]" 1
121 1 12 ASN QB 1 13 ARG H 3.500 2.800 4.500 2.724 2.724 2.724 0.076 1 0 "[ ]" 1
122 1 13 ARG H 1 13 ARG HA 2.800 . 2.800 2.902 2.902 2.902 0.102 1 0 "[ ]" 1
123 1 13 ARG H 1 13 ARG QB 2.800 . 3.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
124 1 13 ARG H 1 13 ARG QG 2.800 . 3.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
125 1 13 ARG H 1 14 LEU H 3.500 2.800 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
126 1 13 ARG HA 1 13 ARG QD 2.800 . 3.800 2.190 2.190 2.190 . 0 0 "[ ]" 1
127 1 13 ARG HA 1 13 ARG QG 2.800 . 3.800 3.027 3.027 3.027 . 0 0 "[ ]" 1
128 1 13 ARG HA 1 14 LEU H 3.500 2.800 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
129 1 13 ARG HA 1 15 LEU H 5.000 3.500 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
130 1 13 ARG HA 1 16 ASN H 2.800 . 2.800 2.977 2.977 2.977 0.177 1 0 "[ ]" 1
131 1 13 ARG HA 1 16 ASN HB2 3.500 2.800 3.500 2.746 2.746 2.746 0.054 1 0 "[ ]" 1
132 1 13 ARG HA 1 16 ASN HB3 2.800 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1
133 1 13 ARG HA 1 17 GLU H 5.000 3.500 5.000 3.780 3.780 3.780 . 0 0 "[ ]" 1
134 1 13 ARG QB 1 14 LEU H 2.800 . 3.800 3.117 3.117 3.117 . 0 0 "[ ]" 1
135 1 14 LEU H 1 14 LEU HA 2.800 . 2.800 2.881 2.881 2.881 0.081 1 0 "[ ]" 1
136 1 14 LEU H 1 14 LEU QB 2.800 . 3.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
137 1 14 LEU H 1 14 LEU QD 3.500 2.800 4.500 2.302 2.302 2.302 0.498 1 0 "[ ]" 1
138 1 14 LEU H 1 15 LEU H 2.800 . 2.800 2.835 2.835 2.835 0.035 1 0 "[ ]" 1
139 1 14 LEU HA 1 14 LEU QD 3.500 2.800 4.500 2.138 2.138 2.138 0.662 1 1 [+] 1
140 1 14 LEU HA 1 15 LEU H 3.500 2.800 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
141 1 14 LEU HA 1 16 ASN H 5.000 3.500 5.000 4.289 4.289 4.289 . 0 0 "[ ]" 1
142 1 14 LEU HA 1 17 GLU H 3.500 2.800 3.500 3.602 3.602 3.602 0.102 1 0 "[ ]" 1
143 1 14 LEU HA 1 17 GLU QB 3.500 2.800 4.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
144 1 14 LEU HA 1 17 GLU HG2 2.800 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
145 1 14 LEU HA 1 17 GLU HG3 3.500 2.800 3.500 3.368 3.368 3.368 . 0 0 "[ ]" 1
146 1 14 LEU HA 1 18 HIS H 5.000 3.500 5.000 4.244 4.244 4.244 . 0 0 "[ ]" 1
147 1 14 LEU QB 1 15 LEU H 2.800 . 3.800 2.640 2.640 2.640 . 0 0 "[ ]" 1
148 1 15 LEU H 1 15 LEU HA 2.800 . 2.800 2.901 2.901 2.901 0.101 1 0 "[ ]" 1
149 1 15 LEU H 1 15 LEU QB 2.800 . 3.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
150 1 15 LEU H 1 15 LEU MD1 2.800 . 3.800 3.014 3.014 3.014 . 0 0 "[ ]" 1
151 1 15 LEU H 1 15 LEU MD2 2.800 . 3.800 1.919 1.919 1.919 . 0 0 "[ ]" 1
152 1 15 LEU H 1 16 ASN H 2.800 . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 1
153 1 15 LEU HA 1 15 LEU MD1 3.500 2.800 4.500 2.330 2.330 2.330 0.470 1 0 "[ ]" 1
154 1 15 LEU HA 1 15 LEU MD2 3.500 2.800 4.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
155 1 15 LEU HA 1 16 ASN H 3.500 2.800 3.500 3.581 3.581 3.581 0.081 1 0 "[ ]" 1
156 1 15 LEU HA 1 17 GLU H 5.000 3.500 5.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
157 1 15 LEU HA 1 18 HIS H 3.500 2.800 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
158 1 15 LEU HA 1 18 HIS HB2 3.500 2.800 3.500 2.735 2.735 2.735 0.065 1 0 "[ ]" 1
159 1 15 LEU HA 1 18 HIS HB3 3.500 2.800 3.500 3.604 3.604 3.604 0.104 1 0 "[ ]" 1
160 1 15 LEU HA 1 19 ALA H 3.500 2.800 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
161 1 16 ASN H 1 16 ASN HA 2.800 . 2.800 2.943 2.943 2.943 0.143 1 0 "[ ]" 1
162 1 16 ASN H 1 16 ASN HB2 2.800 . 2.800 2.309 2.309 2.309 . 0 0 "[ ]" 1
163 1 16 ASN H 1 16 ASN HB3 3.500 2.800 3.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
164 1 16 ASN H 1 17 GLU H 2.800 . 2.800 2.580 2.580 2.580 . 0 0 "[ ]" 1
165 1 16 ASN HA 1 16 ASN HB2 2.800 . 2.800 2.735 2.735 2.735 . 0 0 "[ ]" 1
166 1 16 ASN HA 1 16 ASN HB3 3.500 2.800 3.500 3.089 3.089 3.089 . 0 0 "[ ]" 1
167 1 16 ASN HA 1 16 ASN HD21 2.800 . 2.800 2.857 2.857 2.857 0.057 1 0 "[ ]" 1
168 1 16 ASN HA 1 17 GLU H 3.500 2.800 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
169 1 16 ASN HA 1 18 HIS H 5.000 3.500 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
170 1 16 ASN HA 1 19 ALA H 3.500 2.800 3.500 3.620 3.620 3.620 0.120 1 0 "[ ]" 1
171 1 16 ASN HA 1 19 ALA MB 3.500 2.800 4.500 3.123 3.123 3.123 . 0 0 "[ ]" 1
172 1 16 ASN HA 1 20 HIS H 2.800 . 2.800 2.869 2.869 2.869 0.069 1 0 "[ ]" 1
173 1 16 ASN HB2 1 16 ASN HD21 3.500 2.800 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
174 1 16 ASN HB2 1 17 GLU H 3.500 2.800 3.500 3.627 3.627 3.627 0.127 1 0 "[ ]" 1
175 1 16 ASN HB3 1 16 ASN HD21 2.800 . 2.800 2.673 2.673 2.673 . 0 0 "[ ]" 1
176 1 16 ASN HB3 1 17 GLU H 3.500 2.800 3.500 2.765 2.765 2.765 0.035 1 0 "[ ]" 1
177 1 17 GLU H 1 17 GLU HA 2.800 . 2.800 2.891 2.891 2.891 0.091 1 0 "[ ]" 1
178 1 17 GLU H 1 17 GLU QB 2.800 . 3.800 2.766 2.766 2.766 . 0 0 "[ ]" 1
179 1 17 GLU H 1 17 GLU HG2 3.500 2.800 3.500 2.609 2.609 2.609 0.191 1 0 "[ ]" 1
180 1 17 GLU H 1 17 GLU HG3 5.000 3.500 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
181 1 17 GLU H 1 18 HIS H 2.800 . 2.800 2.732 2.732 2.732 . 0 0 "[ ]" 1
182 1 17 GLU HA 1 17 GLU HG2 5.000 3.500 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
183 1 17 GLU HA 1 18 HIS H 3.500 2.800 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
184 1 18 HIS H 1 18 HIS HA 3.500 2.800 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
185 1 18 HIS H 1 18 HIS HB2 2.800 . 2.800 2.149 2.149 2.149 . 0 0 "[ ]" 1
186 1 18 HIS H 1 18 HIS HB3 3.500 2.800 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 1
187 1 18 HIS H 1 19 ALA H 2.800 . 2.800 2.638 2.638 2.638 . 0 0 "[ ]" 1
188 1 18 HIS HA 1 18 HIS HB2 2.800 . 2.800 2.921 2.921 2.921 0.121 1 0 "[ ]" 1
189 1 18 HIS HA 1 18 HIS HB3 2.800 . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
190 1 18 HIS HA 1 19 ALA H 3.500 2.800 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
191 1 18 HIS HB2 1 19 ALA H 2.800 . 2.800 2.905 2.905 2.905 0.105 1 0 "[ ]" 1
192 1 18 HIS HB3 1 19 ALA H 3.500 2.800 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
193 1 19 ALA H 1 19 ALA HA 3.500 2.800 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
194 1 19 ALA H 1 19 ALA MB 2.800 . 3.800 2.415 2.415 2.415 . 0 0 "[ ]" 1
195 1 19 ALA H 1 20 HIS H 2.800 . 2.800 2.826 2.826 2.826 0.026 1 0 "[ ]" 1
196 1 19 ALA HA 1 20 HIS H 3.500 2.800 3.500 3.569 3.569 3.569 0.069 1 0 "[ ]" 1
197 1 19 ALA MB 1 20 HIS H 3.500 2.800 4.500 2.353 2.353 2.353 0.447 1 0 "[ ]" 1
198 1 20 HIS H 1 20 HIS HA 3.500 2.800 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
199 1 20 HIS H 1 20 HIS HB2 2.800 . 2.800 2.709 2.709 2.709 . 0 0 "[ ]" 1
200 1 20 HIS H 1 20 HIS HB3 2.800 . 2.800 2.719 2.719 2.719 . 0 0 "[ ]" 1
201 1 20 HIS HA 1 20 HIS HB2 2.800 . 2.800 2.507 2.507 2.507 . 0 0 "[ ]" 1
202 1 20 HIS HA 1 20 HIS HB3 2.800 . 2.800 2.975 2.975 2.975 0.175 1 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 31, 2024 11:47:46 PM GMT (wattos1)