NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382230 |
1jba   |
4492 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1jba
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 216
_TA_constraint_stats_list.Viol_count 262
_TA_constraint_stats_list.Viol_total 3895.81
_TA_constraint_stats_list.Viol_max 3.62
_TA_constraint_stats_list.Viol_rms 0.20
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 0.68
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 6 SER C 1 7 TRP N 1 7 TRP CA 1 7 TRP C -110.00 -10.00 -80.97 -110.28 -37.63 0.28 6 0 "[ . 1 . 2 ]"
2 . 1 7 TRP C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -110.00 -10.00 -51.84 -47.28 -58.36 . . 0 "[ . 1 . 2 ]"
3 . 1 8 GLU C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -110.00 -10.00 -57.05 -49.98 -54.76 . . 0 "[ . 1 . 2 ]"
4 . 1 9 GLU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -110.00 -10.00 -48.73 -48.79 -54.97 . . 0 "[ . 1 . 2 ]"
5 . 1 10 ALA C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -110.00 -10.00 -68.29 -90.08 -44.17 . . 0 "[ . 1 . 2 ]"
6 . 1 11 GLU C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -110.00 -10.00 -81.60 -101.40 -60.88 . . 0 "[ . 1 . 2 ]"
7 . 1 19 ALA C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -110.00 -10.00 -57.15 -60.42 -62.85 . . 0 "[ . 1 . 2 ]"
8 . 1 20 ASP C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -90.00 -30.00 -45.07 -62.18 -32.64 . . 0 "[ . 1 . 2 ]"
9 . 1 21 ALA C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -90.00 -30.00 -47.54 -45.58 -46.06 . . 0 "[ . 1 . 2 ]"
10 . 1 22 ALA C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -90.00 -30.00 -67.89 -77.76 -54.91 . . 0 "[ . 1 . 2 ]"
11 . 1 23 GLN C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -90.00 -30.00 -62.68 -65.38 -67.47 . . 0 "[ . 1 . 2 ]"
12 . 1 24 LEU C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -90.00 -30.00 -59.82 -74.68 -42.63 . . 0 "[ . 1 . 2 ]"
13 . 1 25 GLN C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -90.00 -30.00 -58.84 -64.08 -65.31 . . 0 "[ . 1 . 2 ]"
14 . 1 26 GLU C 1 27 TRP N 1 27 TRP CA 1 27 TRP C -90.00 -30.00 -68.35 -77.26 -55.51 . . 0 "[ . 1 . 2 ]"
15 . 1 27 TRP C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -90.00 -30.00 -72.24 -82.17 -41.34 . . 0 "[ . 1 . 2 ]"
16 . 1 28 TYR C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -90.00 -30.00 -72.12 -69.62 -71.10 . . 0 "[ . 1 . 2 ]"
17 . 1 29 LYS C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -90.00 -30.00 -68.15 -86.60 -36.44 . . 0 "[ . 1 . 2 ]"
18 . 1 30 LYS C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -90.00 -30.00 -73.64 -80.95 -89.33 1.07 1 0 "[ . 1 . 2 ]"
19 . 1 31 PHE C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -90.00 -30.00 -79.76 -82.74 -87.24 1.41 1 0 "[ . 1 . 2 ]"
20 . 1 38 GLY C 1 39 THR N 1 39 THR CA 1 39 THR C -150.00 -90.00 -146.60 -151.01 -102.80 1.01 6 0 "[ . 1 . 2 ]"
21 . 1 39 THR C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -150.00 -90.00 -122.76 -150.29 -94.47 0.29 10 0 "[ . 1 . 2 ]"
22 . 1 40 LEU C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -150.00 -90.00 -110.82 -108.15 -114.57 . . 0 "[ . 1 . 2 ]"
23 . 1 41 PHE C 1 42 MET N 1 42 MET CA 1 42 MET C -90.00 -30.00 -45.45 -62.01 -31.39 . . 0 "[ . 1 . 2 ]"
24 . 1 42 MET C 1 43 HIS N 1 43 HIS CA 1 43 HIS C -90.00 -30.00 -59.61 -51.38 -55.01 . . 0 "[ . 1 . 2 ]"
25 . 1 43 HIS C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -90.00 -30.00 -62.92 -81.18 -44.42 . . 0 "[ . 1 . 2 ]"
26 . 1 44 GLU C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -90.00 -30.00 -78.59 -73.30 -74.31 . . 0 "[ . 1 . 2 ]"
27 . 1 45 PHE C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -90.00 -30.00 -61.15 -73.90 -45.68 . . 0 "[ . 1 . 2 ]"
28 . 1 46 LYS C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -90.00 -30.00 -65.82 -60.86 -62.40 . . 0 "[ . 1 . 2 ]"
29 . 1 47 ARG C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -90.00 -30.00 -49.95 -44.03 -45.83 . . 0 "[ . 1 . 2 ]"
30 . 1 48 PHE C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -110.00 -10.00 -68.56 -87.27 -90.54 . . 0 "[ . 1 . 2 ]"
31 . 1 49 PHE C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -110.00 -10.00 -106.14 -112.17 -78.89 2.17 18 0 "[ . 1 . 2 ]"
32 . 1 56 GLU C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -110.00 -10.00 -79.94 -56.55 -67.24 1.39 11 0 "[ . 1 . 2 ]"
33 . 1 57 ALA C 1 58 THR N 1 58 THR CA 1 58 THR C -110.00 -10.00 -97.03 -87.17 -93.69 0.40 3 0 "[ . 1 . 2 ]"
34 . 1 58 THR C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -90.00 -30.00 -64.43 -74.19 -54.99 . . 0 "[ . 1 . 2 ]"
35 . 1 59 GLN C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -90.00 -30.00 -57.12 -58.99 -60.42 . . 0 "[ . 1 . 2 ]"
36 . 1 60 TYR C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -90.00 -30.00 -55.82 -72.55 -43.15 . . 0 "[ . 1 . 2 ]"
37 . 1 61 VAL C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -110.00 -10.00 -50.90 -71.79 -44.89 . . 0 "[ . 1 . 2 ]"
38 . 1 62 GLU C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -90.00 -30.00 -59.75 -80.09 -47.86 . . 0 "[ . 1 . 2 ]"
39 . 1 63 ALA C 1 64 MET N 1 64 MET CA 1 64 MET C -110.00 -10.00 -55.91 -67.27 -46.46 . . 0 "[ . 1 . 2 ]"
40 . 1 64 MET C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -90.00 -30.00 -61.01 -90.63 -44.34 0.63 2 0 "[ . 1 . 2 ]"
41 . 1 65 PHE C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -90.00 -30.00 -72.00 -58.43 -64.45 . . 0 "[ . 1 . 2 ]"
42 . 1 66 ARG C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -90.00 -30.00 -65.91 -56.56 -60.81 . . 0 "[ . 1 . 2 ]"
43 . 1 67 ALA C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -110.00 -10.00 -92.60 -105.66 -69.55 . . 0 "[ . 1 . 2 ]"
44 . 1 74 ASN C 1 75 THR N 1 75 THR CA 1 75 THR C -150.00 -90.00 -143.76 -150.96 -112.69 0.96 22 0 "[ . 1 . 2 ]"
45 . 1 75 THR C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -150.00 -90.00 -113.35 -122.61 -124.71 . . 0 "[ . 1 . 2 ]"
46 . 1 76 ILE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -170.00 -70.00 -83.19 -69.38 -73.49 1.42 18 0 "[ . 1 . 2 ]"
47 . 1 77 ASP C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -90.00 -30.00 -42.22 -51.18 -33.01 . . 0 "[ . 1 . 2 ]"
48 . 1 78 PHE C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -90.00 -30.00 -59.67 -80.36 -42.37 . . 0 "[ . 1 . 2 ]"
49 . 1 79 LEU C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -90.00 -30.00 -44.45 -56.47 -38.08 . . 0 "[ . 1 . 2 ]"
50 . 1 80 GLU C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -110.00 -10.00 -56.52 -66.75 -44.12 . . 0 "[ . 1 . 2 ]"
51 . 1 81 TYR C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -90.00 -30.00 -55.29 -76.01 -39.02 . . 0 "[ . 1 . 2 ]"
52 . 1 82 VAL C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -90.00 -30.00 -53.45 -70.92 -46.97 . . 0 "[ . 1 . 2 ]"
53 . 1 83 ALA C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -90.00 -30.00 -60.36 -69.66 -50.72 . . 0 "[ . 1 . 2 ]"
54 . 1 84 ALA C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -90.00 -30.00 -49.85 -62.09 -40.06 . . 0 "[ . 1 . 2 ]"
55 . 1 85 LEU C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -90.00 -30.00 -44.51 -45.90 -47.41 . . 0 "[ . 1 . 2 ]"
56 . 1 86 ASN C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -90.00 -30.00 -67.45 -85.23 -49.00 . . 0 "[ . 1 . 2 ]"
57 . 1 92 THR C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -110.00 -10.00 -81.88 -50.87 -68.12 1.03 11 0 "[ . 1 . 2 ]"
58 . 1 93 LEU C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -90.00 -30.00 -70.15 -90.44 -38.01 0.44 13 0 "[ . 1 . 2 ]"
59 . 1 94 GLU C 1 95 HIS N 1 95 HIS CA 1 95 HIS C -90.00 -30.00 -43.08 -49.46 -30.51 . . 0 "[ . 1 . 2 ]"
60 . 1 95 HIS C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -90.00 -30.00 -62.85 -78.71 -41.40 . . 0 "[ . 1 . 2 ]"
61 . 1 97 LEU C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -90.00 -30.00 -65.09 -74.68 -78.47 . . 0 "[ . 1 . 2 ]"
62 . 1 98 LYS C 1 99 TRP N 1 99 TRP CA 1 99 TRP C -90.00 -30.00 -57.25 -76.63 -41.78 . . 0 "[ . 1 . 2 ]"
63 . 1 99 TRP C 1 100 THR N 1 100 THR CA 1 100 THR C -90.00 -30.00 -59.42 -52.43 -55.08 . . 0 "[ . 1 . 2 ]"
64 . 1 100 THR C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -90.00 -30.00 -58.07 -69.66 -46.52 . . 0 "[ . 1 . 2 ]"
65 . 1 101 PHE C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -90.00 -30.00 -69.73 -67.24 -70.80 . . 0 "[ . 1 . 2 ]"
66 . 1 102 LYS C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -90.00 -30.00 -54.82 -71.77 -44.95 . . 0 "[ . 1 . 2 ]"
67 . 1 103 ILE C 1 104 TYR N 1 104 TYR CA 1 104 TYR C -110.00 -10.00 -63.48 -57.22 -62.50 . . 0 "[ . 1 . 2 ]"
68 . 1 110 GLY C 1 111 CYS N 1 111 CYS CA 1 111 CYS C -150.00 -90.00 -146.03 -151.85 -135.97 1.85 11 0 "[ . 1 . 2 ]"
69 . 1 111 CYS C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -150.00 -90.00 -110.31 -127.89 -89.36 0.64 15 0 "[ . 1 . 2 ]"
70 . 1 112 ILE C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -150.00 -90.00 -134.06 -150.16 -118.47 0.16 9 0 "[ . 1 . 2 ]"
71 . 1 113 ASP C 1 114 ARG N 1 114 ARG CA 1 114 ARG C -90.00 -30.00 -49.09 -38.78 -42.25 . . 0 "[ . 1 . 2 ]"
72 . 1 114 ARG C 1 115 GLN N 1 115 GLN CA 1 115 GLN C -90.00 -30.00 -78.63 -86.62 -64.57 . . 0 "[ . 1 . 2 ]"
73 . 1 115 GLN C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -90.00 -30.00 -60.06 -63.13 -66.31 . . 0 "[ . 1 . 2 ]"
74 . 1 116 GLU C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -110.00 -10.00 -74.87 -92.12 -53.95 . . 0 "[ . 1 . 2 ]"
75 . 1 117 LEU C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -90.00 -30.00 -45.72 -50.29 -56.52 . . 0 "[ . 1 . 2 ]"
76 . 1 118 LEU C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -90.00 -30.00 -73.77 -86.19 -43.25 . . 0 "[ . 1 . 2 ]"
77 . 1 119 ASP C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -110.00 -10.00 -68.10 -77.85 -51.14 . . 0 "[ . 1 . 2 ]"
78 . 1 120 ILE C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -90.00 -30.00 -50.59 -67.00 -42.44 . . 0 "[ . 1 . 2 ]"
79 . 1 121 VAL C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -90.00 -30.00 -49.82 -47.95 -48.24 . . 0 "[ . 1 . 2 ]"
80 . 1 122 GLU C 1 123 SER N 1 123 SER CA 1 123 SER C -90.00 -30.00 -67.68 -63.59 -65.66 . . 0 "[ . 1 . 2 ]"
81 . 1 123 SER C 1 124 ILE N 1 124 ILE CA 1 124 ILE C -90.00 -30.00 -60.36 -82.26 -44.57 . . 0 "[ . 1 . 2 ]"
82 . 1 124 ILE C 1 125 TYR N 1 125 TYR CA 1 125 TYR C -90.00 -30.00 -65.05 -63.76 -66.30 . . 0 "[ . 1 . 2 ]"
83 . 1 125 TYR C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -90.00 -30.00 -55.42 -52.46 -54.04 . . 0 "[ . 1 . 2 ]"
84 . 1 126 LYS C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -110.00 -10.00 -62.11 -63.12 -68.19 . . 0 "[ . 1 . 2 ]"
85 . 1 127 LEU C 1 128 LYS N 1 128 LYS CA 1 128 LYS C -90.00 -30.00 -54.29 -45.29 -47.56 . . 0 "[ . 1 . 2 ]"
86 . 1 128 LYS C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -90.00 -30.00 -59.26 -70.80 -76.07 . . 0 "[ . 1 . 2 ]"
87 . 1 129 LYS C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -110.00 -10.00 -88.52 -107.23 -70.04 . . 0 "[ . 1 . 2 ]"
88 . 1 146 PRO C 1 147 GLU N 1 147 GLU CA 1 147 GLU C -90.00 -30.00 -83.19 -90.86 -90.98 3.62 4 0 "[ . 1 . 2 ]"
89 . 1 147 GLU C 1 148 GLU N 1 148 GLU CA 1 148 GLU C -90.00 -30.00 -62.65 -72.26 -40.05 . . 0 "[ . 1 . 2 ]"
90 . 1 148 GLU C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -90.00 -30.00 -48.47 -71.74 -41.76 . . 0 "[ . 1 . 2 ]"
91 . 1 149 VAL C 1 150 VAL N 1 150 VAL CA 1 150 VAL C -90.00 -30.00 -55.99 -56.41 -57.95 . . 0 "[ . 1 . 2 ]"
92 . 1 150 VAL C 1 151 ASP N 1 151 ASP CA 1 151 ASP C -90.00 -30.00 -75.37 -89.95 -59.79 . . 0 "[ . 1 . 2 ]"
93 . 1 151 ASP C 1 152 ARG N 1 152 ARG CA 1 152 ARG C -90.00 -30.00 -82.39 -81.33 -81.88 . . 0 "[ . 1 . 2 ]"
94 . 1 152 ARG C 1 153 ILE N 1 153 ILE CA 1 153 ILE C -90.00 -30.00 -63.19 -60.11 -64.76 . . 0 "[ . 1 . 2 ]"
95 . 1 153 ILE C 1 154 PHE N 1 154 PHE CA 1 154 PHE C -90.00 -30.00 -68.79 -69.94 -71.88 . . 0 "[ . 1 . 2 ]"
96 . 1 154 PHE C 1 155 LEU N 1 155 LEU CA 1 155 LEU C -110.00 -10.00 -60.46 -50.31 -56.12 . . 0 "[ . 1 . 2 ]"
97 . 1 163 GLY C 1 164 GLN N 1 164 GLN CA 1 164 GLN C -150.00 -90.00 -140.15 -151.03 -115.06 1.03 4 0 "[ . 1 . 2 ]"
98 . 1 164 GLN C 1 165 LEU N 1 165 LEU CA 1 165 LEU C -170.00 -70.00 -96.23 -126.77 -83.76 . . 0 "[ . 1 . 2 ]"
99 . 1 165 LEU C 1 166 SER N 1 166 SER CA 1 166 SER C -170.00 -70.00 -90.67 -113.67 -76.47 . . 0 "[ . 1 . 2 ]"
100 . 1 166 SER C 1 167 LEU N 1 167 LEU CA 1 167 LEU C -90.00 -30.00 -64.58 -58.23 -60.53 . . 0 "[ . 1 . 2 ]"
101 . 1 167 LEU C 1 168 ASN N 1 168 ASN CA 1 168 ASN C -90.00 -30.00 -43.41 -43.20 -43.69 . . 0 "[ . 1 . 2 ]"
102 . 1 168 ASN C 1 169 GLU N 1 169 GLU CA 1 169 GLU C -110.00 -10.00 -69.06 -77.04 -57.13 . . 0 "[ . 1 . 2 ]"
103 . 1 169 GLU C 1 170 PHE N 1 170 PHE CA 1 170 PHE C -110.00 -10.00 -57.69 -64.99 -68.08 . . 0 "[ . 1 . 2 ]"
104 . 1 170 PHE C 1 171 VAL N 1 171 VAL CA 1 171 VAL C -90.00 -30.00 -51.63 -69.32 -41.97 . . 0 "[ . 1 . 2 ]"
105 . 1 171 VAL C 1 172 GLU N 1 172 GLU CA 1 172 GLU C -90.00 -30.00 -57.51 -59.10 -60.39 . . 0 "[ . 1 . 2 ]"
106 . 1 172 GLU C 1 173 GLY N 1 173 GLY CA 1 173 GLY C -110.00 -10.00 -104.06 -110.43 -77.98 0.43 14 0 "[ . 1 . 2 ]"
107 . 1 173 GLY C 1 174 ALA N 1 174 ALA CA 1 174 ALA C -110.00 -10.00 -95.38 -100.01 -104.43 0.51 18 0 "[ . 1 . 2 ]"
108 . 1 174 ALA C 1 175 ARG N 1 175 ARG CA 1 175 ARG C -90.00 -30.00 -80.38 -90.52 -52.00 0.52 19 0 "[ . 1 . 2 ]"
109 . 1 179 TRP C 1 180 VAL N 1 180 VAL CA 1 180 VAL C -90.00 -30.00 -59.98 -79.06 -45.07 . . 0 "[ . 1 . 2 ]"
110 . 1 180 VAL C 1 181 MET N 1 181 MET CA 1 181 MET C -90.00 -30.00 -52.73 -55.67 -58.18 . . 0 "[ . 1 . 2 ]"
111 . 1 181 MET C 1 182 LYS N 1 182 LYS CA 1 182 LYS C -90.00 -30.00 -54.70 -78.70 -34.80 . . 0 "[ . 1 . 2 ]"
112 . 1 182 LYS C 1 183 MET N 1 183 MET CA 1 183 MET C -90.00 -30.00 -57.46 -57.68 -60.60 . . 0 "[ . 1 . 2 ]"
113 . 1 183 MET C 1 184 LEU N 1 184 LEU CA 1 184 LEU C -90.00 -30.00 -63.42 -90.82 -39.34 0.82 12 0 "[ . 1 . 2 ]"
114 . 1 184 LEU C 1 185 GLN N 1 185 GLN CA 1 185 GLN C -90.00 -30.00 -71.83 -90.98 -50.24 0.98 15 0 "[ . 1 . 2 ]"
115 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 ALA N -90.00 10.00 -80.63 -76.53 -78.60 1.07 4 0 "[ . 1 . 2 ]"
116 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 ALA N -70.00 -10.00 -43.45 -35.87 -37.93 . . 0 "[ . 1 . 2 ]"
117 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 GLN N -70.00 -10.00 -44.62 -48.71 -50.43 . . 0 "[ . 1 . 2 ]"
118 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 LEU N -70.00 -10.00 -39.78 -47.55 -30.56 . . 0 "[ . 1 . 2 ]"
119 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLN N -70.00 -10.00 -38.71 -25.46 -32.16 . . 0 "[ . 1 . 2 ]"
120 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 GLU N -70.00 -10.00 -52.85 -64.93 -39.68 . . 0 "[ . 1 . 2 ]"
121 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 TRP N -70.00 -10.00 -35.77 -41.34 -45.22 . . 0 "[ . 1 . 2 ]"
122 . 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 LYS N -70.00 -10.00 -34.13 -45.76 -18.39 . . 0 "[ . 1 . 2 ]"
123 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 LYS N -70.00 -10.00 -47.23 -48.48 -52.47 . . 0 "[ . 1 . 2 ]"
124 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 LYS N -90.00 10.00 -47.23 -48.48 -52.47 . . 0 "[ . 1 . 2 ]"
125 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 PHE N -70.00 -10.00 -27.91 -24.00 -28.61 0.03 15 0 "[ . 1 . 2 ]"
126 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 LEU N -70.00 -10.00 -47.14 -69.90 -25.33 . . 0 "[ . 1 . 2 ]"
127 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 GLU N -70.00 -10.00 -19.08 -71.45 -7.88 2.12 8 0 "[ . 1 . 2 ]"
128 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 LEU N 100.00 160.00 151.28 117.69 161.18 1.18 16 0 "[ . 1 . 2 ]"
129 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 PHE N 100.00 160.00 143.32 159.16 156.79 0.60 16 0 "[ . 1 . 2 ]"
130 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 MET N 100.00 160.00 159.28 155.67 152.32 0.89 16 0 "[ . 1 . 2 ]"
131 . 1 42 MET N 1 42 MET CA 1 42 MET C 1 43 HIS N -70.00 -10.00 -46.14 -72.67 -24.80 2.67 22 0 "[ . 1 . 2 ]"
132 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 GLU N -70.00 -10.00 -52.37 -41.88 -47.08 0.90 18 0 "[ . 1 . 2 ]"
133 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 PHE N -70.00 -10.00 -17.68 -18.30 -19.42 0.06 21 0 "[ . 1 . 2 ]"
134 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 LYS N -70.00 -10.00 -49.93 -58.80 -61.97 . . 0 "[ . 1 . 2 ]"
135 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 ARG N -70.00 -10.00 -39.57 -57.80 -20.87 . . 0 "[ . 1 . 2 ]"
136 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 LYS N -90.00 10.00 -60.37 -81.22 -1.28 . . 0 "[ . 1 . 2 ]"
137 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 GLN N -90.00 10.00 -26.43 -22.89 -26.77 . . 0 "[ . 1 . 2 ]"
138 . 1 59 GLN N 1 59 GLN CA 1 59 GLN C 1 60 TYR N -70.00 -10.00 -46.22 -62.10 -30.60 . . 0 "[ . 1 . 2 ]"
139 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 VAL N -70.00 -10.00 -53.96 -54.11 -55.54 . . 0 "[ . 1 . 2 ]"
140 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 GLU N -70.00 -10.00 -44.25 -40.88 -42.61 . . 0 "[ . 1 . 2 ]"
141 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 ALA N -90.00 10.00 -42.19 -29.85 -33.35 . . 0 "[ . 1 . 2 ]"
142 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 MET N -70.00 -10.00 -40.83 -42.77 -43.91 . . 0 "[ . 1 . 2 ]"
143 . 1 64 MET N 1 64 MET CA 1 64 MET C 1 65 PHE N -90.00 10.00 -49.93 -31.04 -38.11 . . 0 "[ . 1 . 2 ]"
144 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 ARG N -70.00 -10.00 -31.23 -54.77 -9.88 0.12 6 0 "[ . 1 . 2 ]"
145 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ALA N -70.00 -10.00 -61.30 -70.65 -46.44 0.65 14 0 "[ . 1 . 2 ]"
146 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 PHE N -70.00 -10.00 -18.98 -40.05 -8.38 1.62 22 0 "[ . 1 . 2 ]"
147 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 ASP N -90.00 10.00 -45.06 -28.11 -37.81 . . 0 "[ . 1 . 2 ]"
148 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 ILE N 100.00 160.00 147.71 158.48 156.93 0.55 9 0 "[ . 1 . 2 ]"
149 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ASP N 100.00 160.00 119.16 115.05 112.90 1.18 11 0 "[ . 1 . 2 ]"
150 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 PHE N 100.00 160.00 160.28 160.93 160.82 1.51 19 0 "[ . 1 . 2 ]"
151 . 1 78 PHE N 1 78 PHE CA 1 78 PHE C 1 79 LEU N -70.00 -10.00 -49.77 -70.33 -26.21 0.33 13 0 "[ . 1 . 2 ]"
152 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLU N -70.00 -10.00 -60.47 -64.26 -68.02 0.67 8 0 "[ . 1 . 2 ]"
153 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 TYR N -70.00 -10.00 -51.11 -55.78 -58.16 . . 0 "[ . 1 . 2 ]"
154 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 VAL N -90.00 10.00 -56.94 -61.32 -63.15 . . 0 "[ . 1 . 2 ]"
155 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ALA N -70.00 -10.00 -38.36 -44.35 -46.61 . . 0 "[ . 1 . 2 ]"
156 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 ALA N -70.00 -10.00 -42.67 -59.04 -36.25 . . 0 "[ . 1 . 2 ]"
157 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 LEU N -70.00 -10.00 -45.15 -41.33 -42.84 . . 0 "[ . 1 . 2 ]"
158 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ASN N -70.00 -10.00 -63.62 -70.81 -51.79 0.81 15 0 "[ . 1 . 2 ]"
159 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 LEU N -70.00 -10.00 -38.47 -29.28 -29.63 . . 0 "[ . 1 . 2 ]"
160 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 VAL N -70.00 -10.00 -52.49 -70.74 -10.05 0.74 22 0 "[ . 1 . 2 ]"
161 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 HIS N -70.00 -10.00 -12.33 -11.40 -18.65 2.73 4 0 "[ . 1 . 2 ]"
162 . 1 95 HIS N 1 95 HIS CA 1 95 HIS C 1 96 LYS N -70.00 -10.00 -21.37 -19.04 -19.93 . . 0 "[ . 1 . 2 ]"
163 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 LEU N -70.00 -10.00 -36.46 -35.69 -39.54 . . 0 "[ . 1 . 2 ]"
164 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 TRP N -70.00 -10.00 -48.57 -52.59 -56.32 0.25 17 0 "[ . 1 . 2 ]"
165 . 1 99 TRP N 1 99 TRP CA 1 99 TRP C 1 100 THR N -70.00 -10.00 -47.17 -62.97 -29.41 . . 0 "[ . 1 . 2 ]"
166 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 PHE N -70.00 -10.00 -44.84 -44.86 -46.09 . . 0 "[ . 1 . 2 ]"
167 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 LYS N -70.00 -10.00 -29.17 -46.32 -16.42 . . 0 "[ . 1 . 2 ]"
168 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 ILE N -70.00 -10.00 -44.88 -39.39 -42.09 . . 0 "[ . 1 . 2 ]"
169 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 TYR N -70.00 -10.00 -46.42 -58.23 -31.84 . . 0 "[ . 1 . 2 ]"
170 . 1 111 CYS N 1 111 CYS CA 1 111 CYS C 1 112 ILE N 100.00 160.00 154.67 151.18 143.06 1.72 21 0 "[ . 1 . 2 ]"
171 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 ASP N 80.00 180.00 149.17 145.86 144.47 . . 0 "[ . 1 . 2 ]"
172 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 ARG N 100.00 160.00 158.92 160.01 159.65 1.32 3 0 "[ . 1 . 2 ]"
173 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 ARG N 80.00 180.00 158.92 160.01 159.65 . . 0 "[ . 1 . 2 ]"
174 . 1 114 ARG N 1 114 ARG CA 1 114 ARG C 1 115 GLN N -70.00 -10.00 -22.34 -49.31 -9.27 0.73 17 0 "[ . 1 . 2 ]"
175 . 1 115 GLN N 1 115 GLN CA 1 115 GLN C 1 116 GLU N -70.00 -10.00 -44.07 -52.84 -15.33 . . 0 "[ . 1 . 2 ]"
176 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 LEU N -70.00 -10.00 -34.81 -31.62 -32.42 . . 0 "[ . 1 . 2 ]"
177 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 LEU N -90.00 10.00 -55.56 -78.66 -29.88 . . 0 "[ . 1 . 2 ]"
178 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 ASP N -70.00 -10.00 -31.30 -27.53 -28.34 . . 0 "[ . 1 . 2 ]"
179 . 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 ILE N -70.00 -10.00 -47.91 -51.41 -61.74 . . 0 "[ . 1 . 2 ]"
180 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 VAL N -90.00 10.00 -55.68 -57.60 -59.50 . . 0 "[ . 1 . 2 ]"
181 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 GLU N -70.00 -10.00 -48.51 -48.71 -49.90 . . 0 "[ . 1 . 2 ]"
182 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 SER N -70.00 -10.00 -38.63 -47.06 -27.85 . . 0 "[ . 1 . 2 ]"
183 . 1 123 SER N 1 123 SER CA 1 123 SER C 1 124 ILE N -70.00 -10.00 -44.61 -43.04 -44.68 . . 0 "[ . 1 . 2 ]"
184 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 TYR N -70.00 -10.00 -39.57 -53.26 -21.32 . . 0 "[ . 1 . 2 ]"
185 . 1 125 TYR N 1 125 TYR CA 1 125 TYR C 1 126 LYS N -70.00 -10.00 -44.87 -70.28 -23.75 0.28 12 0 "[ . 1 . 2 ]"
186 . 1 126 LYS N 1 126 LYS CA 1 126 LYS C 1 127 LEU N -70.00 -10.00 -47.25 -64.67 -24.18 . . 0 "[ . 1 . 2 ]"
187 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 LYS N -90.00 10.00 -51.96 -67.11 -69.05 . . 0 "[ . 1 . 2 ]"
188 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 LYS N -70.00 -10.00 -33.53 -60.78 -11.12 . . 0 "[ . 1 . 2 ]"
189 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 ALA N -70.00 -10.00 -43.46 -38.93 -44.28 0.42 18 0 "[ . 1 . 2 ]"
190 . 1 147 GLU N 1 147 GLU CA 1 147 GLU C 1 148 GLU N -70.00 -10.00 -25.28 -42.48 -9.50 0.50 5 0 "[ . 1 . 2 ]"
191 . 1 148 GLU N 1 148 GLU CA 1 148 GLU C 1 149 VAL N -70.00 -10.00 -63.17 -70.74 -30.52 0.74 15 0 "[ . 1 . 2 ]"
192 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 VAL N -70.00 -10.00 -44.41 -54.26 -31.76 . . 0 "[ . 1 . 2 ]"
193 . 1 150 VAL N 1 150 VAL CA 1 150 VAL C 1 151 ASP N -70.00 -10.00 -39.80 -41.40 -46.39 . . 0 "[ . 1 . 2 ]"
194 . 1 151 ASP N 1 151 ASP CA 1 151 ASP C 1 152 ARG N -70.00 -10.00 -19.23 -29.63 -9.81 0.19 15 0 "[ . 1 . 2 ]"
195 . 1 152 ARG N 1 152 ARG CA 1 152 ARG C 1 153 ILE N -70.00 -10.00 -44.91 -67.88 -22.91 . . 0 "[ . 1 . 2 ]"
196 . 1 153 ILE N 1 153 ILE CA 1 153 ILE C 1 154 PHE N -70.00 -10.00 -39.09 -54.02 -26.32 . . 0 "[ . 1 . 2 ]"
197 . 1 154 PHE N 1 154 PHE CA 1 154 PHE C 1 155 LEU N -70.00 -10.00 -53.39 -47.61 -50.74 . . 0 "[ . 1 . 2 ]"
198 . 1 155 LEU N 1 155 LEU CA 1 155 LEU C 1 156 LEU N -90.00 10.00 -48.68 -68.05 -26.88 . . 0 "[ . 1 . 2 ]"
199 . 1 164 GLN N 1 164 GLN CA 1 164 GLN C 1 165 LEU N 100.00 160.00 124.06 101.04 160.67 0.67 11 0 "[ . 1 . 2 ]"
200 . 1 165 LEU N 1 165 LEU CA 1 165 LEU C 1 166 SER N 80.00 180.00 104.28 95.68 93.34 . . 0 "[ . 1 . 2 ]"
201 . 1 166 SER N 1 166 SER CA 1 166 SER C 1 167 LEU N 80.00 180.00 176.09 175.16 173.96 0.46 6 0 "[ . 1 . 2 ]"
202 . 1 167 LEU N 1 167 LEU CA 1 167 LEU C 1 168 ASN N -70.00 -10.00 -53.38 -63.15 -63.45 . . 0 "[ . 1 . 2 ]"
203 . 1 168 ASN N 1 168 ASN CA 1 168 ASN C 1 169 GLU N -70.00 -10.00 -47.21 -42.68 -43.83 . . 0 "[ . 1 . 2 ]"
204 . 1 169 GLU N 1 169 GLU CA 1 169 GLU C 1 170 PHE N -90.00 10.00 -41.99 -47.57 -52.06 . . 0 "[ . 1 . 2 ]"
205 . 1 170 PHE N 1 170 PHE CA 1 170 PHE C 1 171 VAL N -90.00 10.00 -62.03 -77.15 -46.52 . . 0 "[ . 1 . 2 ]"
206 . 1 171 VAL N 1 171 VAL CA 1 171 VAL C 1 172 GLU N -70.00 -10.00 -47.28 -53.12 -57.15 . . 0 "[ . 1 . 2 ]"
207 . 1 172 GLU N 1 172 GLU CA 1 172 GLU C 1 173 GLY N -70.00 -10.00 -25.48 -30.36 -31.67 . . 0 "[ . 1 . 2 ]"
208 . 1 173 GLY N 1 173 GLY CA 1 173 GLY C 1 174 ALA N -90.00 10.00 -21.59 -44.68 3.33 . . 0 "[ . 1 . 2 ]"
209 . 1 174 ALA N 1 174 ALA CA 1 174 ALA C 1 175 ARG N -90.00 10.00 -18.22 -41.25 1.96 . . 0 "[ . 1 . 2 ]"
210 . 1 175 ARG N 1 175 ARG CA 1 175 ARG C 1 176 ARG N -70.00 -10.00 -32.74 -14.74 -22.07 0.84 4 0 "[ . 1 . 2 ]"
211 . 1 180 VAL N 1 180 VAL CA 1 180 VAL C 1 181 MET N -70.00 -10.00 -45.09 -67.15 -22.10 . . 0 "[ . 1 . 2 ]"
212 . 1 181 MET N 1 181 MET CA 1 181 MET C 1 182 LYS N -70.00 -10.00 -58.49 -55.43 -60.21 1.28 16 0 "[ . 1 . 2 ]"
213 . 1 182 LYS N 1 182 LYS CA 1 182 LYS C 1 183 MET N -70.00 -10.00 -50.23 -67.17 -23.27 . . 0 "[ . 1 . 2 ]"
214 . 1 187 ASP N 1 187 ASP CA 1 187 ASP C 1 188 LEU N -70.00 -10.00 -43.64 -13.77 -23.33 2.15 14 0 "[ . 1 . 2 ]"
215 . 1 188 LEU N 1 188 LEU CA 1 188 LEU C 1 189 ASN N -70.00 -10.00 -48.53 -9.67 -43.39 1.38 21 0 "[ . 1 . 2 ]"
216 . 1 189 ASN N 1 189 ASN CA 1 189 ASN C 1 190 PRO N -70.00 -10.00 -43.85 -62.21 -12.67 . . 0 "[ . 1 . 2 ]"
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