NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583306 |
2mpw   |
25002 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpw
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 192
_Distance_constraint_stats_list.Viol_count 429
_Distance_constraint_stats_list.Viol_total 235.888
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0239
_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 24 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 LEU 0.011 0.008 23 0 "[ . 1 . 2 ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 THR 0.423 0.040 7 0 "[ . 1 . 2 ]"
1 29 LEU 1.023 0.051 15 0 "[ . 1 . 2 ]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 GLY 0.240 0.019 8 0 "[ . 1 . 2 ]"
1 33 GLU 0.240 0.019 8 0 "[ . 1 . 2 ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ASP 0.440 0.022 22 0 "[ . 1 . 2 ]"
1 38 LEU 1.061 0.036 2 0 "[ . 1 . 2 ]"
1 39 SER 2.019 0.044 18 0 "[ . 1 . 2 ]"
1 40 LYS 1.563 0.044 18 0 "[ . 1 . 2 ]"
1 41 SER 1.241 0.036 11 0 "[ . 1 . 2 ]"
1 42 GLN 0.528 0.028 19 0 "[ . 1 . 2 ]"
1 43 ASP 0.052 0.010 2 0 "[ . 1 . 2 ]"
1 44 ILE 0.600 0.040 21 0 "[ . 1 . 2 ]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 SER 0.457 0.023 12 0 "[ . 1 . 2 ]"
1 48 THR 0.457 0.023 12 0 "[ . 1 . 2 ]"
1 49 ILE 1.151 0.059 22 0 "[ . 1 . 2 ]"
1 50 TRP 1.151 0.059 22 0 "[ . 1 . 2 ]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 LEU 0.207 0.014 14 0 "[ . 1 . 2 ]"
1 53 ASN 0.299 0.014 1 0 "[ . 1 . 2 ]"
1 54 LYS 0.013 0.005 18 0 "[ . 1 . 2 ]"
1 55 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 TYR 0.090 0.013 6 0 "[ . 1 . 2 ]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 SER 0.090 0.013 6 0 "[ . 1 . 2 ]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 SER 0.024 0.008 7 0 "[ . 1 . 2 ]"
1 62 GLU 0.005 0.003 19 0 "[ . 1 . 2 ]"
1 63 MET 0.077 0.018 7 0 "[ . 1 . 2 ]"
1 64 MET 0.548 0.025 22 0 "[ . 1 . 2 ]"
1 65 LYS 2.582 0.064 12 0 "[ . 1 . 2 ]"
1 66 ALA 2.131 0.064 12 0 "[ . 1 . 2 ]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.021 0.009 11 0 "[ . 1 . 2 ]"
1 70 GLN 1.003 0.051 15 0 "[ . 1 . 2 ]"
1 71 GLN 0.423 0.040 7 0 "[ . 1 . 2 ]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ILE 0.114 0.014 1 0 "[ . 1 . 2 ]"
1 74 LEU 0.011 0.008 23 0 "[ . 1 . 2 ]"
1 75 PRO 0.126 0.067 23 0 "[ . 1 . 2 ]"
1 76 LEU 0.091 0.067 23 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 25 LEU H 1 25 LEU HA 2.700 2.700 7.700 2.958 2.949 2.968 . 0 0 "[ . 1 . 2 ]" 1
2 1 26 PHE H 1 26 PHE HA 2.700 2.700 7.700 2.935 2.934 2.937 . 0 0 "[ . 1 . 2 ]" 1
3 1 27 TYR H 1 27 TYR HA 2.700 2.700 7.700 2.969 2.966 2.970 . 0 0 "[ . 1 . 2 ]" 1
4 1 28 THR H 1 28 THR HA 2.700 2.700 7.700 2.962 2.951 2.969 . 0 0 "[ . 1 . 2 ]" 1
5 1 29 LEU H 1 29 LEU HA 2.700 2.700 7.700 2.903 2.900 2.907 . 0 0 "[ . 1 . 2 ]" 1
6 1 31 THR H 1 31 THR HA 2.700 2.700 7.700 2.778 2.769 2.788 . 0 0 "[ . 1 . 2 ]" 1
7 1 32 GLY H 1 32 GLY HA3 2.700 2.700 7.700 2.955 2.945 2.960 . 0 0 "[ . 1 . 2 ]" 1
8 1 32 GLY H 1 32 GLY HA2 0.000 . 2.700 2.417 2.394 2.430 . 0 0 "[ . 1 . 2 ]" 1
9 1 33 GLU H 1 33 GLU HA 2.700 2.700 7.700 2.958 2.953 2.964 . 0 0 "[ . 1 . 2 ]" 1
10 1 34 THR H 1 34 THR HA 2.700 2.700 7.700 2.965 2.964 2.967 . 0 0 "[ . 1 . 2 ]" 1
11 1 35 VAL H 1 35 VAL HA 2.700 2.700 7.700 2.802 2.794 2.805 . 0 0 "[ . 1 . 2 ]" 1
12 1 38 LEU H 1 38 LEU HA 2.700 2.700 7.700 2.807 2.802 2.811 . 0 0 "[ . 1 . 2 ]" 1
13 1 39 SER H 1 39 SER HA 2.700 2.700 7.700 2.807 2.803 2.811 . 0 0 "[ . 1 . 2 ]" 1
14 1 40 LYS H 1 40 LYS HA 2.700 2.700 7.700 2.818 2.815 2.823 . 0 0 "[ . 1 . 2 ]" 1
15 1 41 SER H 1 41 SER HA 2.700 2.700 7.700 2.814 2.810 2.816 . 0 0 "[ . 1 . 2 ]" 1
16 1 42 GLN H 1 42 GLN HA 2.700 2.700 7.700 2.872 2.864 2.890 . 0 0 "[ . 1 . 2 ]" 1
17 1 43 ASP H 1 43 ASP HA 0.000 . 2.700 2.294 2.289 2.297 . 0 0 "[ . 1 . 2 ]" 1
18 1 44 ILE H 1 44 ILE HA 2.700 2.700 7.700 2.963 2.961 2.966 . 0 0 "[ . 1 . 2 ]" 1
19 1 45 ASN H 1 45 ASN HA 2.700 2.700 7.700 2.888 2.854 2.911 . 0 0 "[ . 1 . 2 ]" 1
20 1 47 SER H 1 47 SER HA 2.700 2.700 7.700 2.811 2.809 2.813 . 0 0 "[ . 1 . 2 ]" 1
21 1 48 THR H 1 48 THR HA 2.700 2.700 7.700 2.822 2.819 2.824 . 0 0 "[ . 1 . 2 ]" 1
22 1 49 ILE H 1 49 ILE HA 2.700 2.700 7.700 2.804 2.803 2.807 . 0 0 "[ . 1 . 2 ]" 1
23 1 50 TRP H 1 50 TRP HA 2.700 2.700 7.700 2.804 2.800 2.809 . 0 0 "[ . 1 . 2 ]" 1
24 1 51 SER H 1 51 SER HA 2.700 2.700 7.700 2.774 2.771 2.777 . 0 0 "[ . 1 . 2 ]" 1
25 1 52 LEU H 1 52 LEU HA 2.700 2.700 7.700 2.859 2.854 2.866 . 0 0 "[ . 1 . 2 ]" 1
26 1 53 ASN H 1 53 ASN HA 2.700 2.700 7.700 2.905 2.900 2.912 . 0 0 "[ . 1 . 2 ]" 1
27 1 53 ASN H 1 53 ASN HD21 0.000 . 4.000 1.867 1.812 1.941 . 0 0 "[ . 1 . 2 ]" 1
28 1 53 ASN H 1 53 ASN HD22 0.000 . 3.600 3.495 3.439 3.568 . 0 0 "[ . 1 . 2 ]" 1
29 1 54 LYS H 1 54 LYS HA 2.700 2.700 7.700 2.742 2.734 2.754 . 0 0 "[ . 1 . 2 ]" 1
30 1 56 LEU H 1 56 LEU HA 2.700 2.700 7.700 2.850 2.838 2.862 . 0 0 "[ . 1 . 2 ]" 1
31 1 57 TYR H 1 57 TYR HA 2.700 2.700 7.700 2.965 2.961 2.968 . 0 0 "[ . 1 . 2 ]" 1
32 1 58 SER H 1 58 SER HA 2.700 2.700 7.700 2.865 2.849 2.890 . 0 0 "[ . 1 . 2 ]" 1
33 1 60 GLU H 1 60 GLU HA 2.700 2.700 7.700 2.817 2.809 2.837 . 0 0 "[ . 1 . 2 ]" 1
34 1 61 SER H 1 61 SER HA 2.700 2.700 7.700 2.793 2.791 2.795 . 0 0 "[ . 1 . 2 ]" 1
35 1 62 GLU H 1 62 GLU HA 2.700 2.700 7.700 2.816 2.814 2.818 . 0 0 "[ . 1 . 2 ]" 1
36 1 63 MET H 1 63 MET HA 2.700 2.700 7.700 2.835 2.831 2.839 . 0 0 "[ . 1 . 2 ]" 1
37 1 64 MET H 1 64 MET HA 2.700 2.700 7.700 2.807 2.803 2.813 . 0 0 "[ . 1 . 2 ]" 1
38 1 65 LYS H 1 65 LYS HA 2.700 2.700 7.700 2.922 2.917 2.925 . 0 0 "[ . 1 . 2 ]" 1
39 1 69 GLY H 1 69 GLY HA3 2.700 2.700 7.700 2.947 2.946 2.951 . 0 0 "[ . 1 . 2 ]" 1
40 1 70 GLN H 1 70 GLN HA 2.700 2.700 7.700 2.916 2.915 2.918 . 0 0 "[ . 1 . 2 ]" 1
41 1 71 GLN H 1 71 GLN HA 2.700 2.700 7.700 2.963 2.958 2.966 . 0 0 "[ . 1 . 2 ]" 1
42 1 72 ILE H 1 72 ILE HA 2.700 2.700 7.700 2.957 2.954 2.959 . 0 0 "[ . 1 . 2 ]" 1
43 1 73 ILE H 1 73 ILE HA 2.700 2.700 7.700 2.961 2.960 2.963 . 0 0 "[ . 1 . 2 ]" 1
44 1 74 LEU H 1 74 LEU HA 2.700 2.700 7.700 2.962 2.960 2.964 . 0 0 "[ . 1 . 2 ]" 1
45 1 24 ARG HA 1 25 LEU H 0.000 . 2.700 2.280 2.142 2.420 . 0 0 "[ . 1 . 2 ]" 1
46 1 25 LEU H 1 26 PHE H 3.500 3.500 8.500 4.420 4.363 4.464 . 0 0 "[ . 1 . 2 ]" 1
47 1 25 LEU HA 1 26 PHE H 0.000 . 2.700 2.159 2.143 2.182 . 0 0 "[ . 1 . 2 ]" 1
48 1 26 PHE H 1 27 TYR H 3.500 3.500 8.500 4.493 4.480 4.503 . 0 0 "[ . 1 . 2 ]" 1
49 1 26 PHE HA 1 27 TYR H 0.000 . 2.700 2.174 2.162 2.193 . 0 0 "[ . 1 . 2 ]" 1
50 1 27 TYR H 1 28 THR H 3.500 3.500 8.500 4.454 4.445 4.468 . 0 0 "[ . 1 . 2 ]" 1
51 1 27 TYR HA 1 28 THR H 0.000 . 2.700 2.249 2.229 2.266 . 0 0 "[ . 1 . 2 ]" 1
52 1 28 THR H 1 29 LEU H 3.500 3.500 8.500 4.499 4.479 4.521 . 0 0 "[ . 1 . 2 ]" 1
53 1 28 THR HA 1 29 LEU H 0.000 . 2.700 2.192 2.186 2.204 . 0 0 "[ . 1 . 2 ]" 1
54 1 29 LEU H 1 30 LYS H 3.500 3.500 8.500 4.497 4.436 4.540 . 0 0 "[ . 1 . 2 ]" 1
55 1 30 LYS HA 1 31 THR H 0.000 . 2.700 2.261 2.230 2.338 . 0 0 "[ . 1 . 2 ]" 1
56 1 31 THR H 1 32 GLY H 3.500 3.500 8.500 4.595 4.586 4.604 . 0 0 "[ . 1 . 2 ]" 1
57 1 31 THR HA 1 32 GLY H 0.000 . 2.700 2.169 2.163 2.179 . 0 0 "[ . 1 . 2 ]" 1
58 1 32 GLY H 1 33 GLU H 0.000 . 2.700 2.710 2.700 2.719 0.019 8 0 "[ . 1 . 2 ]" 1
59 1 32 GLY HA3 1 33 GLU H 2.700 2.700 7.700 3.043 3.004 3.109 . 0 0 "[ . 1 . 2 ]" 1
60 1 32 GLY HA2 1 33 GLU H 2.700 2.700 7.700 3.511 3.488 3.523 . 0 0 "[ . 1 . 2 ]" 1
61 1 33 GLU HA 1 34 THR H 0.000 . 2.700 2.232 2.180 2.259 . 0 0 "[ . 1 . 2 ]" 1
62 1 33 GLU H 1 34 THR H 3.500 3.500 8.500 4.513 4.486 4.525 . 0 0 "[ . 1 . 2 ]" 1
63 1 34 THR HA 1 35 VAL H 0.000 . 2.700 2.381 2.339 2.456 . 0 0 "[ . 1 . 2 ]" 1
64 1 35 VAL H 1 36 ALA H 0.000 . 3.200 2.750 2.733 2.777 . 0 0 "[ . 1 . 2 ]" 1
65 1 35 VAL HA 1 36 ALA H 3.200 3.200 8.200 3.555 3.551 3.560 . 0 0 "[ . 1 . 2 ]" 1
66 1 36 ALA H 1 37 ASP H 0.000 . 3.200 2.718 2.697 2.735 . 0 0 "[ . 1 . 2 ]" 1
67 1 36 ALA HA 1 37 ASP H 3.200 3.200 8.200 3.550 3.546 3.561 . 0 0 "[ . 1 . 2 ]" 1
68 1 37 ASP H 1 38 LEU H 0.000 . 2.700 2.719 2.717 2.722 0.022 22 0 "[ . 1 . 2 ]" 1
69 1 37 ASP HA 1 38 LEU H 3.200 3.200 8.200 3.554 3.552 3.558 . 0 0 "[ . 1 . 2 ]" 1
70 1 38 LEU H 1 39 SER H 0.000 . 2.700 2.727 2.719 2.736 0.036 2 0 "[ . 1 . 2 ]" 1
71 1 38 LEU HA 1 39 SER H 3.200 3.200 8.200 3.541 3.534 3.547 . 0 0 "[ . 1 . 2 ]" 1
72 1 39 SER H 1 40 LYS H 0.000 . 2.700 2.737 2.728 2.744 0.044 18 0 "[ . 1 . 2 ]" 1
73 1 39 SER HA 1 40 LYS H 3.200 3.200 8.200 3.544 3.540 3.547 . 0 0 "[ . 1 . 2 ]" 1
74 1 40 LYS H 1 41 SER H 0.000 . 2.700 2.731 2.726 2.736 0.036 11 0 "[ . 1 . 2 ]" 1
75 1 40 LYS HA 1 41 SER H 3.200 3.200 8.200 3.556 3.553 3.560 . 0 0 "[ . 1 . 2 ]" 1
76 1 41 SER H 1 42 GLN H 0.000 . 2.700 2.723 2.716 2.728 0.028 19 0 "[ . 1 . 2 ]" 1
77 1 41 SER HA 1 42 GLN H 3.200 3.200 8.200 3.544 3.539 3.548 . 0 0 "[ . 1 . 2 ]" 1
78 1 42 GLN H 1 43 ASP H 0.000 . 2.700 2.669 2.626 2.702 0.002 3 0 "[ . 1 . 2 ]" 1
79 1 42 GLN HA 1 43 ASP H 3.200 3.200 8.200 3.388 3.319 3.435 . 0 0 "[ . 1 . 2 ]" 1
80 1 43 ASP H 1 44 ILE H 0.000 . 2.700 2.687 2.644 2.710 0.010 2 0 "[ . 1 . 2 ]" 1
81 1 43 ASP HA 1 44 ILE H 0.000 . 3.200 2.772 2.753 2.792 . 0 0 "[ . 1 . 2 ]" 1
82 1 44 ILE H 1 45 ASN H 3.500 3.500 8.500 4.485 4.473 4.495 . 0 0 "[ . 1 . 2 ]" 1
83 1 44 ILE HA 1 45 ASN H 0.000 . 2.700 2.264 2.238 2.288 . 0 0 "[ . 1 . 2 ]" 1
84 1 45 ASN H 1 46 LEU H 3.500 3.500 8.500 4.582 4.563 4.603 . 0 0 "[ . 1 . 2 ]" 1
85 1 45 ASN HA 1 46 LEU H 0.000 . 2.700 2.194 2.161 2.211 . 0 0 "[ . 1 . 2 ]" 1
86 1 46 LEU H 1 47 SER H 0.000 . 4.000 2.760 2.744 2.769 . 0 0 "[ . 1 . 2 ]" 1
87 1 46 LEU HA 1 47 SER H 3.200 3.200 8.200 3.541 3.538 3.543 . 0 0 "[ . 1 . 2 ]" 1
88 1 47 SER H 1 48 THR H 0.000 . 2.700 2.720 2.717 2.723 0.023 12 0 "[ . 1 . 2 ]" 1
89 1 47 SER HA 1 48 THR H 3.200 3.200 8.200 3.552 3.549 3.554 . 0 0 "[ . 1 . 2 ]" 1
90 1 48 THR HA 1 49 ILE H 3.200 3.200 8.200 3.552 3.546 3.559 . 0 0 "[ . 1 . 2 ]" 1
91 1 49 ILE H 1 50 TRP H 0.000 . 2.700 2.750 2.745 2.759 0.059 22 0 "[ . 1 . 2 ]" 1
92 1 49 ILE HA 1 50 TRP H 3.200 3.200 8.200 3.550 3.548 3.555 . 0 0 "[ . 1 . 2 ]" 1
93 1 50 TRP H 1 51 SER H 0.000 . 3.600 2.811 2.795 2.831 . 0 0 "[ . 1 . 2 ]" 1
94 1 50 TRP HA 1 51 SER H 3.200 3.200 8.200 3.572 3.570 3.575 . 0 0 "[ . 1 . 2 ]" 1
95 1 51 SER H 1 52 LEU H 0.000 . 3.200 2.837 2.820 2.850 . 0 0 "[ . 1 . 2 ]" 1
96 1 51 SER HA 1 52 LEU H 3.200 3.200 8.200 3.553 3.548 3.556 . 0 0 "[ . 1 . 2 ]" 1
97 1 52 LEU H 1 53 ASN H 0.000 . 2.700 2.703 2.652 2.714 0.014 6 0 "[ . 1 . 2 ]" 1
98 1 53 ASN H 1 54 LYS H 0.000 . 2.700 2.687 2.665 2.705 0.005 18 0 "[ . 1 . 2 ]" 1
99 1 53 ASN HA 1 54 LYS H 3.200 3.200 8.200 3.265 3.243 3.284 . 0 0 "[ . 1 . 2 ]" 1
100 1 55 HIS HA 1 56 LEU H 3.200 3.200 8.200 3.532 3.528 3.536 . 0 0 "[ . 1 . 2 ]" 1
101 1 55 HIS H 1 56 LEU H 0.000 . 3.500 2.537 2.508 2.575 . 0 0 "[ . 1 . 2 ]" 1
102 1 56 LEU H 1 57 TYR H 0.000 . 2.700 2.626 2.589 2.654 . 0 0 "[ . 1 . 2 ]" 1
103 1 56 LEU HA 1 57 TYR H 3.200 3.200 8.200 3.549 3.543 3.559 . 0 0 "[ . 1 . 2 ]" 1
104 1 57 TYR H 1 58 SER H 3.500 3.500 8.500 4.519 4.497 4.533 . 0 0 "[ . 1 . 2 ]" 1
105 1 57 TYR HA 1 58 SER H 0.000 . 2.700 2.259 2.251 2.266 . 0 0 "[ . 1 . 2 ]" 1
106 1 58 SER H 1 59 SER H 0.000 . 3.500 2.558 2.452 2.607 . 0 0 "[ . 1 . 2 ]" 1
107 1 58 SER HA 1 59 SER H 0.000 . 4.000 3.549 3.539 3.554 . 0 0 "[ . 1 . 2 ]" 1
108 1 59 SER HA 1 60 GLU H 0.000 . 2.700 2.448 2.438 2.457 . 0 0 "[ . 1 . 2 ]" 1
109 1 60 GLU H 1 61 SER H 0.000 . 3.600 2.692 2.634 2.717 . 0 0 "[ . 1 . 2 ]" 1
110 1 60 GLU HA 1 61 SER H 3.200 3.200 8.200 3.535 3.531 3.539 . 0 0 "[ . 1 . 2 ]" 1
111 1 61 SER H 1 62 GLU H 0.000 . 3.200 2.789 2.772 2.806 . 0 0 "[ . 1 . 2 ]" 1
112 1 61 SER HA 1 62 GLU H 3.500 3.500 8.500 3.554 3.550 3.558 . 0 0 "[ . 1 . 2 ]" 1
113 1 62 GLU H 1 63 MET H 0.000 . 3.200 2.707 2.703 2.715 . 0 0 "[ . 1 . 2 ]" 1
114 1 62 GLU HA 1 63 MET H 3.200 3.200 8.200 3.538 3.534 3.542 . 0 0 "[ . 1 . 2 ]" 1
115 1 63 MET H 1 64 MET H 0.000 . 2.700 2.701 2.682 2.718 0.018 7 0 "[ . 1 . 2 ]" 1
116 1 63 MET HA 1 64 MET H 3.200 3.200 8.200 3.562 3.559 3.568 . 0 0 "[ . 1 . 2 ]" 1
117 1 64 MET H 1 65 LYS H 0.000 . 2.700 2.719 2.711 2.725 0.025 22 0 "[ . 1 . 2 ]" 1
118 1 64 MET HA 1 65 LYS H 3.200 3.200 8.200 3.528 3.525 3.531 . 0 0 "[ . 1 . 2 ]" 1
119 1 65 LYS H 1 66 ALA H 0.000 . 2.700 2.759 2.753 2.764 0.064 12 0 "[ . 1 . 2 ]" 1
120 1 65 LYS HA 1 66 ALA H 3.200 3.200 8.200 3.166 3.157 3.177 0.043 20 0 "[ . 1 . 2 ]" 1
121 1 66 ALA H 1 67 ALA H 3.500 3.500 8.500 4.621 4.613 4.627 . 0 0 "[ . 1 . 2 ]" 1
122 1 66 ALA HA 1 67 ALA H 0.000 . 2.700 2.222 2.203 2.238 . 0 0 "[ . 1 . 2 ]" 1
123 1 67 ALA H 1 68 PRO HD3 3.500 3.500 8.500 4.858 4.836 4.883 . 0 0 "[ . 1 . 2 ]" 1
124 1 67 ALA H 1 68 PRO HD2 3.500 3.500 8.500 5.127 5.083 5.167 . 0 0 "[ . 1 . 2 ]" 1
125 1 68 PRO HA 1 69 GLY H 0.000 . 2.700 2.233 2.229 2.238 . 0 0 "[ . 1 . 2 ]" 1
126 1 69 GLY H 1 70 GLN H 0.000 . 2.700 2.603 2.575 2.637 . 0 0 "[ . 1 . 2 ]" 1
127 1 69 GLY HA3 1 70 GLN H 2.700 2.700 7.700 3.183 3.155 3.210 . 0 0 "[ . 1 . 2 ]" 1
128 1 69 GLY HA2 1 70 GLN H 2.700 2.700 7.700 3.452 3.438 3.468 . 0 0 "[ . 1 . 2 ]" 1
129 1 70 GLN HA 1 71 GLN H 0.000 . 2.700 2.336 2.317 2.366 . 0 0 "[ . 1 . 2 ]" 1
130 1 71 GLN H 1 72 ILE H 3.500 3.500 8.500 4.497 4.489 4.507 . 0 0 "[ . 1 . 2 ]" 1
131 1 71 GLN HA 1 72 ILE H 0.000 . 2.700 2.213 2.200 2.227 . 0 0 "[ . 1 . 2 ]" 1
132 1 72 ILE H 1 73 ILE H 3.500 3.500 8.500 4.399 4.381 4.427 . 0 0 "[ . 1 . 2 ]" 1
133 1 72 ILE HA 1 73 ILE H 0.000 . 2.700 2.223 2.209 2.240 . 0 0 "[ . 1 . 2 ]" 1
134 1 73 ILE H 1 74 LEU H 3.500 3.500 8.500 4.435 4.422 4.451 . 0 0 "[ . 1 . 2 ]" 1
135 1 73 ILE HA 1 74 LEU H 0.000 . 2.700 2.146 2.139 2.156 . 0 0 "[ . 1 . 2 ]" 1
136 1 74 LEU H 1 75 PRO HD3 3.500 3.500 8.500 3.835 3.652 4.086 . 0 0 "[ . 1 . 2 ]" 1
137 1 74 LEU H 1 75 PRO HD2 3.500 3.500 8.500 4.719 4.546 4.839 . 0 0 "[ . 1 . 2 ]" 1
138 1 74 LEU HA 1 75 PRO HD3 0.000 . 3.200 2.595 2.425 2.848 . 0 0 "[ . 1 . 2 ]" 1
139 1 74 LEU HA 1 75 PRO HD2 0.000 . 2.700 2.350 2.109 2.534 . 0 0 "[ . 1 . 2 ]" 1
140 1 75 PRO HA 1 76 LEU H 0.000 . 2.700 2.287 2.161 2.767 0.067 23 0 "[ . 1 . 2 ]" 1
141 1 27 TYR HE2 1 29 LEU MD2 0.000 . 4.000 3.193 2.989 3.334 . 0 0 "[ . 1 . 2 ]" 1
142 1 30 LYS HA 1 33 GLU H 3.500 3.500 8.500 5.424 5.358 5.469 . 0 0 "[ . 1 . 2 ]" 1
143 1 31 THR HA 1 33 GLU H 0.000 . 3.600 3.543 3.506 3.579 . 0 0 "[ . 1 . 2 ]" 1
144 1 34 THR H 1 37 ASP QB 0.000 . 4.000 2.348 2.200 2.453 . 0 0 "[ . 1 . 2 ]" 1
145 1 58 SER H 1 62 GLU QG 0.000 . 4.800 4.274 4.246 4.283 . 0 0 "[ . 1 . 2 ]" 1
146 1 57 TYR HB3 1 59 SER H 0.000 . 4.000 3.049 3.006 3.100 . 0 0 "[ . 1 . 2 ]" 1
147 1 57 TYR HB2 1 59 SER H 0.000 . 4.000 3.997 3.955 4.013 0.013 6 0 "[ . 1 . 2 ]" 1
148 1 59 SER H 1 62 GLU HB2 0.000 . 3.200 2.941 2.892 2.999 . 0 0 "[ . 1 . 2 ]" 1
149 1 59 SER H 1 62 GLU QG 0.000 . 4.000 3.394 3.322 3.531 . 0 0 "[ . 1 . 2 ]" 1
150 1 59 SER QB 1 61 SER H 0.000 . 4.000 2.963 2.940 2.979 . 0 0 "[ . 1 . 2 ]" 1
151 1 61 SER HA 1 64 MET H 0.000 . 3.600 3.549 3.482 3.608 0.008 7 0 "[ . 1 . 2 ]" 1
152 1 62 GLU HA 1 65 LYS H 0.000 . 3.600 3.543 3.486 3.603 0.003 19 0 "[ . 1 . 2 ]" 1
153 1 68 PRO HA 1 70 GLN H 0.000 . 4.000 3.472 3.441 3.491 . 0 0 "[ . 1 . 2 ]" 1
154 1 25 LEU H 1 73 ILE MG 0.000 . 4.800 4.010 3.922 4.025 . 0 0 "[ . 1 . 2 ]" 1
155 1 25 LEU H 1 74 LEU H 0.000 . 3.600 3.507 3.353 3.608 0.008 23 0 "[ . 1 . 2 ]" 1
156 1 27 TYR H 1 72 ILE MG 0.000 . 5.300 4.444 4.439 4.452 . 0 0 "[ . 1 . 2 ]" 1
157 1 27 TYR H 1 74 LEU MD1 0.000 . 5.300 4.130 3.961 4.347 . 0 0 "[ . 1 . 2 ]" 1
158 1 29 LEU MD1 1 66 ALA MB 0.000 . 4.300 2.242 2.005 2.429 . 0 0 "[ . 1 . 2 ]" 1
159 1 29 LEU H 1 71 GLN HA 0.000 . 3.600 3.333 3.285 3.392 . 0 0 "[ . 1 . 2 ]" 1
160 1 35 VAL H 1 66 ALA MB 0.000 . 4.800 3.860 3.511 4.003 . 0 0 "[ . 1 . 2 ]" 1
161 1 36 ALA HA 1 46 LEU MD2 0.000 . 4.300 2.291 2.234 2.377 . 0 0 "[ . 1 . 2 ]" 1
162 1 36 ALA MB 1 46 LEU MD1 0.000 . 4.300 2.991 2.987 2.995 . 0 0 "[ . 1 . 2 ]" 1
163 1 27 TYR HE2 1 38 LEU MD2 0.000 . 3.500 2.554 2.053 2.916 . 0 0 "[ . 1 . 2 ]" 1
164 1 39 SER H 1 46 LEU MD2 0.000 . 4.800 3.887 3.755 3.970 . 0 0 "[ . 1 . 2 ]" 1
165 1 39 SER HA 1 44 ILE H 0.000 . 3.600 3.624 3.609 3.640 0.040 21 0 "[ . 1 . 2 ]" 1
166 1 39 SER HA 1 49 ILE MD 0.000 . 4.000 2.696 2.494 2.911 . 0 0 "[ . 1 . 2 ]" 1
167 1 39 SER QB 1 49 ILE MD 0.000 . 4.300 2.274 2.040 2.511 . 0 0 "[ . 1 . 2 ]" 1
168 1 50 TRP H 1 63 MET ME 0.000 . 4.800 3.998 3.964 4.012 . 0 0 "[ . 1 . 2 ]" 1
169 1 53 ASN HD22 1 73 ILE H 0.000 . 3.500 3.505 3.495 3.514 0.014 1 0 "[ . 1 . 2 ]" 1
170 1 35 VAL MG1 1 63 MET ME 0.000 . 4.300 2.353 1.997 2.777 . 0 0 "[ . 1 . 2 ]" 1
171 1 49 ILE HB 1 63 MET ME 0.000 . 4.300 3.494 3.304 3.593 . 0 0 "[ . 1 . 2 ]" 1
172 1 49 ILE MG 1 63 MET ME 0.000 . 4.300 2.387 2.095 2.735 . 0 0 "[ . 1 . 2 ]" 1
173 1 50 TRP HA 1 63 MET ME 0.000 . 4.300 3.000 2.781 3.292 . 0 0 "[ . 1 . 2 ]" 1
174 1 50 TRP HB2 1 63 MET ME 0.000 . 4.800 3.770 3.492 3.943 . 0 0 "[ . 1 . 2 ]" 1
175 1 57 TYR HD2 1 63 MET ME 0.000 . 5.300 3.473 3.269 3.805 . 0 0 "[ . 1 . 2 ]" 1
176 1 57 TYR HE2 1 63 MET ME 0.000 . 5.300 3.614 3.253 4.128 . 0 0 "[ . 1 . 2 ]" 1
177 1 29 LEU MD1 1 67 ALA H 0.000 . 4.800 3.815 3.618 3.947 . 0 0 "[ . 1 . 2 ]" 1
178 1 28 THR MG 1 69 GLY H 0.000 . 4.300 3.548 3.459 3.591 . 0 0 "[ . 1 . 2 ]" 1
179 1 29 LEU HB2 1 69 GLY H 0.000 . 3.200 3.144 3.004 3.209 0.009 11 0 "[ . 1 . 2 ]" 1
180 1 28 THR MG 1 70 GLN H 0.000 . 5.300 4.415 4.368 4.420 . 0 0 "[ . 1 . 2 ]" 1
181 1 29 LEU HB3 1 70 GLN H 0.000 . 4.000 4.044 4.037 4.051 0.051 15 0 "[ . 1 . 2 ]" 1
182 1 29 LEU HB2 1 70 GLN H 0.000 . 4.000 2.699 2.687 2.724 . 0 0 "[ . 1 . 2 ]" 1
183 1 29 LEU MD1 1 70 GLN H 0.000 . 4.800 3.388 3.322 3.435 . 0 0 "[ . 1 . 2 ]" 1
184 1 28 THR HA 1 71 GLN HA 0.000 . 2.700 2.718 2.710 2.740 0.040 7 0 "[ . 1 . 2 ]" 1
185 1 53 ASN HD22 1 72 ILE MG 0.000 . 4.300 3.258 3.166 3.381 . 0 0 "[ . 1 . 2 ]" 1
186 1 28 THR HA 1 72 ILE H 0.000 . 4.000 3.522 3.359 3.633 . 0 0 "[ . 1 . 2 ]" 1
187 1 24 ARG QB 1 73 ILE MG 0.000 . 4.800 2.730 2.277 3.601 . 0 0 "[ . 1 . 2 ]" 1
188 1 24 ARG QD 1 73 ILE MG 0.000 . 4.300 2.401 1.891 3.192 . 0 0 "[ . 1 . 2 ]" 1
189 1 27 TYR HB3 1 74 LEU MD1 0.000 . 4.300 3.342 2.997 3.570 . 0 0 "[ . 1 . 2 ]" 1
190 1 52 LEU HB3 1 75 PRO HD2 0.000 . 3.500 3.227 2.916 3.437 . 0 0 "[ . 1 . 2 ]" 1
191 1 52 LEU HB2 1 75 PRO HD2 0.000 . 4.000 3.914 3.569 4.014 0.014 14 0 "[ . 1 . 2 ]" 1
192 1 52 LEU MD2 1 75 PRO HD2 0.000 . 4.300 3.556 3.223 3.591 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 669.477
_Distance_constraint_stats_list.Viol_max 1.306
_Distance_constraint_stats_list.Viol_rms 0.2275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0422
_Distance_constraint_stats_list.Viol_average_violations_only 1.2656
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 25 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 SER 29.108 1.306 18 23 [-****************+*****]
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 GLU 29.108 1.306 18 23 [-****************+*****]
1 63 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 LEU 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 25 LEU H 1 74 LEU O 2.200 . 2.600 2.249 2.182 2.295 . 0 0 "[ . 1 . 2 ]" 2
2 1 27 TYR H 1 72 ILE O 2.200 . 2.600 2.171 2.108 2.213 . 0 0 "[ . 1 . 2 ]" 2
3 1 27 TYR HH 1 33 GLU OE1 2.200 . 2.600 2.216 2.187 2.239 . 0 0 "[ . 1 . 2 ]" 2
4 1 29 LEU H 1 70 GLN O 2.200 . 2.600 2.156 2.133 2.194 . 0 0 "[ . 1 . 2 ]" 2
5 1 30 LYS O 1 33 GLU H 2.200 . 2.600 2.219 2.176 2.258 . 0 0 "[ . 1 . 2 ]" 2
6 1 34 THR O 1 38 LEU H 2.200 . 2.600 2.260 2.191 2.325 . 0 0 "[ . 1 . 2 ]" 2
7 1 35 VAL O 1 39 SER H 2.200 . 2.600 2.196 2.164 2.222 . 0 0 "[ . 1 . 2 ]" 2
8 1 36 ALA O 1 40 LYS H 2.200 . 2.600 2.151 2.131 2.170 . 0 0 "[ . 1 . 2 ]" 2
9 1 37 ASP O 1 41 SER H 2.200 . 2.600 2.226 2.209 2.246 . 0 0 "[ . 1 . 2 ]" 2
10 1 38 LEU O 1 42 GLN H 2.200 . 2.600 2.139 2.119 2.174 . 0 0 "[ . 1 . 2 ]" 2
11 1 39 SER O 1 44 ILE H 2.200 . 2.600 2.116 2.077 2.175 . 0 0 "[ . 1 . 2 ]" 2
12 1 45 ASN O 1 49 ILE H 2.200 . 2.600 2.261 2.221 2.302 . 0 0 "[ . 1 . 2 ]" 2
13 1 46 LEU O 1 50 TRP H 2.200 . 2.600 2.150 2.112 2.180 . 0 0 "[ . 1 . 2 ]" 2
14 1 47 SER O 1 51 SER H 2.200 . 2.600 2.158 2.127 2.182 . 0 0 "[ . 1 . 2 ]" 2
15 1 48 THR O 1 52 LEU H 2.200 . 2.600 2.341 2.323 2.370 . 0 0 "[ . 1 . 2 ]" 2
16 1 49 ILE O 1 53 ASN H 2.200 . 2.600 2.105 2.054 2.136 . 0 0 "[ . 1 . 2 ]" 2
17 1 53 ASN HD22 1 73 ILE O 2.200 . 2.600 2.186 2.137 2.240 . 0 0 "[ . 1 . 2 ]" 2
18 1 50 TRP O 1 54 LYS H 2.200 . 2.600 2.039 1.999 2.114 . 0 0 "[ . 1 . 2 ]" 2
19 1 52 LEU O 1 55 HIS HD1 2.200 . 2.600 2.222 2.198 2.262 . 0 0 "[ . 1 . 2 ]" 2
20 1 53 ASN O 1 57 TYR H 2.200 . 2.600 2.199 2.147 2.253 . 0 0 "[ . 1 . 2 ]" 2
21 1 57 TYR HH 1 71 GLN O 2.200 . 2.600 2.238 2.216 2.268 . 0 0 "[ . 1 . 2 ]" 2
22 1 58 SER H 1 62 GLU OE2 2.200 . 2.600 3.866 3.780 3.906 1.306 18 23 [-****************+*****] 2
23 1 60 GLU O 1 64 MET H 2.200 . 2.600 2.171 2.123 2.200 . 0 0 "[ . 1 . 2 ]" 2
24 1 61 SER O 1 65 LYS H 2.200 . 2.600 2.218 2.181 2.248 . 0 0 "[ . 1 . 2 ]" 2
25 1 63 MET O 1 66 ALA H 2.200 . 2.600 2.066 2.043 2.095 . 0 0 "[ . 1 . 2 ]" 2
26 1 67 ALA H 1 70 GLN OE1 2.200 . 2.600 2.115 2.100 2.135 . 0 0 "[ . 1 . 2 ]" 2
27 1 29 LEU O 1 69 GLY H 2.200 . 2.600 2.189 2.140 2.220 . 0 0 "[ . 1 . 2 ]" 2
28 1 27 TYR O 1 72 ILE H 2.200 . 2.600 2.091 2.042 2.130 . 0 0 "[ . 1 . 2 ]" 2
29 1 53 ASN OD1 1 73 ILE H 2.200 . 2.600 2.230 2.155 2.273 . 0 0 "[ . 1 . 2 ]" 2
30 1 25 LEU O 1 74 LEU H 2.200 . 2.600 2.146 2.086 2.204 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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