NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554321 |
2ly8   |
18713 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ly8
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 190
_TA_constraint_stats_list.Viol_count 131
_TA_constraint_stats_list.Viol_total 1908.64
_TA_constraint_stats_list.Viol_max 7.04
_TA_constraint_stats_list.Viol_rms 0.50
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 1.46
_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 1 LEU C 1 2 ILE N 1 2 ILE CA 1 2 ILE C -82.08 -43.82 -66.14 -82.05 -61.39 . . 0 "[ . 1]"
2 . 1 2 ILE C 1 3 SER N 1 3 SER CA 1 3 SER C -124.97 -29.41 -61.33 -61.05 -61.46 . . 0 "[ . 1]"
3 . 1 6 PRO C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -71.95 -44.63 -62.65 -69.25 -59.04 . . 0 "[ . 1]"
4 . 1 7 PHE C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -79.84 -47.96 -60.07 -61.60 -58.10 . . 0 "[ . 1]"
5 . 1 8 ALA C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -80.69 -46.93 -65.66 -71.14 -62.51 . . 0 "[ . 1]"
6 . 1 9 ARG C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -80.04 -49.16 -68.93 -71.04 -67.53 . . 0 "[ . 1]"
7 . 1 10 LEU C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -79.08 -49.34 -66.64 -65.21 -65.80 . . 0 "[ . 1]"
8 . 1 11 VAL C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -79.62 -50.44 -62.98 -62.56 -62.61 . . 0 "[ . 1]"
9 . 1 12 LYS C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -78.80 -50.66 -64.78 -67.12 -63.54 . . 0 "[ . 1]"
10 . 1 13 GLU C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -83.20 -51.38 -63.01 -64.43 -61.02 . . 0 "[ . 1]"
11 . 1 14 VAL C 1 15 THR N 1 15 THR CA 1 15 THR C -72.27 -51.47 -63.96 -63.23 -63.66 . . 0 "[ . 1]"
12 . 1 15 THR C 1 16 ASP N 1 16 ASP CA 1 16 ASP C -82.79 -49.85 -61.43 -63.02 -60.84 . . 0 "[ . 1]"
13 . 1 16 ASP C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -75.99 -45.25 -61.37 -60.91 -61.35 . . 0 "[ . 1]"
14 . 1 17 GLU C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -83.44 -45.88 -72.31 -73.31 -71.13 . . 0 "[ . 1]"
15 . 1 18 PHE C 1 19 THR N 1 19 THR CA 1 19 THR C -82.90 -46.00 -82.34 -82.64 -84.02 1.18 1 0 "[ . 1]"
16 . 1 19 THR C 1 20 THR N 1 20 THR CA 1 20 THR C -79.90 -44.56 -44.90 -44.11 -44.57 0.45 2 0 "[ . 1]"
17 . 1 20 THR C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -117.27 -44.59 -68.93 -70.77 -66.83 . . 0 "[ . 1]"
18 . 1 22 ASP C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -91.85 -50.39 -54.04 -55.03 -56.39 1.57 10 0 "[ . 1]"
19 . 1 24 ASP C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -145.27 -44.41 -60.41 -61.87 -62.49 . . 0 "[ . 1]"
20 . 1 25 LEU C 1 26 ARG N 1 26 ARG CA 1 26 ARG C -163.33 -96.35 -140.25 -141.23 -138.92 . . 0 "[ . 1]"
21 . 1 26 ARG C 1 27 TRP N 1 27 TRP CA 1 27 TRP C -138.41 -63.03 -99.68 -101.99 -98.03 . . 0 "[ . 1]"
22 . 1 27 TRP C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -119.96 -33.16 -85.40 -83.12 -84.33 . . 0 "[ . 1]"
23 . 1 28 GLN C 1 29 SER N 1 29 SER CA 1 29 SER C -66.61 -47.95 -60.53 -61.61 -58.73 . . 0 "[ . 1]"
24 . 1 29 SER C 1 30 MET N 1 30 MET CA 1 30 MET C -75.51 -57.33 -65.20 -69.08 -60.08 . . 0 "[ . 1]"
25 . 1 30 MET C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -75.62 -49.40 -52.10 -61.64 -48.66 0.74 4 0 "[ . 1]"
26 . 1 31 ALA C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -79.86 -52.06 -67.89 -70.68 -63.68 . . 0 "[ . 1]"
27 . 1 32 ILE C 1 33 MET N 1 33 MET CA 1 33 MET C -75.66 -55.42 -59.90 -61.44 -54.60 0.82 6 0 "[ . 1]"
28 . 1 33 MET C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -73.50 -53.68 -60.43 -61.79 -58.91 . . 0 "[ . 1]"
29 . 1 34 ALA C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -70.94 -54.60 -63.79 -61.93 -62.41 . . 0 "[ . 1]"
30 . 1 35 LEU C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -75.99 -56.23 -66.26 -68.10 -64.56 . . 0 "[ . 1]"
31 . 1 36 GLN C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -80.78 -49.04 -65.64 -67.61 -63.60 . . 0 "[ . 1]"
32 . 1 37 GLU C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -73.23 -53.61 -63.26 -64.98 -61.97 . . 0 "[ . 1]"
33 . 1 38 ALA C 1 39 SER N 1 39 SER CA 1 39 SER C -76.72 -50.68 -67.19 -69.57 -65.31 . . 0 "[ . 1]"
34 . 1 39 SER C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -85.86 -40.36 -70.14 -74.15 -62.06 . . 0 "[ . 1]"
35 . 1 40 GLU C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -76.61 -53.31 -69.57 -71.90 -65.67 . . 0 "[ . 1]"
36 . 1 41 ALA C 1 42 TYR N 1 42 TYR CA 1 42 TYR C -76.36 -52.86 -63.97 -66.48 -60.13 . . 0 "[ . 1]"
37 . 1 42 TYR C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -75.50 -50.38 -64.70 -63.89 -64.55 . . 0 "[ . 1]"
38 . 1 43 LEU C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -69.36 -50.50 -59.09 -59.35 -59.63 . . 0 "[ . 1]"
39 . 1 44 VAL C 1 45 GLY N 1 45 GLY CA 1 45 GLY C -73.67 -52.13 -63.30 -64.17 -62.83 . . 0 "[ . 1]"
40 . 1 45 GLY C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -79.07 -49.11 -68.99 -70.51 -65.29 . . 0 "[ . 1]"
41 . 1 46 LEU C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -83.59 -51.79 -61.11 -60.82 -61.24 . . 0 "[ . 1]"
42 . 1 47 LEU C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -92.57 -58.81 -66.40 -72.86 -61.82 . . 0 "[ . 1]"
43 . 1 48 GLU C 1 49 HIS N 1 49 HIS CA 1 49 HIS C -123.13 -67.47 -76.77 -65.65 -66.64 3.19 3 0 "[ . 1]"
44 . 1 51 ASN C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -92.61 -26.83 -69.97 -79.49 -63.27 . . 0 "[ . 1]"
45 . 1 52 LEU C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -94.60 -47.92 -61.86 -67.84 -46.58 1.34 6 0 "[ . 1]"
46 . 1 53 LEU C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -87.60 -44.60 -61.31 -63.72 -58.85 . . 0 "[ . 1]"
47 . 1 54 ALA C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -111.30 -52.24 -74.69 -100.77 -61.56 . . 0 "[ . 1]"
48 . 1 56 HIS C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -125.58 -48.42 -102.12 -89.41 -96.13 . . 0 "[ . 1]"
49 . 1 57 LEU C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -141.78 -52.28 -121.31 -121.49 -124.34 . . 0 "[ . 1]"
50 . 1 58 VAL C 1 59 PRO N 1 59 PRO CA 1 59 PRO C -86.90 -50.38 -55.25 -51.67 -52.28 . . 0 "[ . 1]"
51 . 1 68 LEU C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -73.62 -51.32 -62.58 -63.73 -59.61 . . 0 "[ . 1]"
52 . 1 69 ILE C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -66.98 -50.86 -61.19 -59.48 -61.09 . . 0 "[ . 1]"
53 . 1 70 TYR C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -75.83 -42.15 -60.41 -61.29 -62.33 . . 0 "[ . 1]"
54 . 1 71 GLU C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -73.98 -52.12 -62.49 -63.03 -61.77 . . 0 "[ . 1]"
55 . 1 72 GLU C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -78.47 -56.07 -62.89 -64.83 -61.07 . . 0 "[ . 1]"
56 . 1 73 VAL C 1 74 ARG N 1 74 ARG CA 1 74 ARG C -78.22 -39.22 -64.70 -60.64 -63.17 . . 0 "[ . 1]"
57 . 1 74 ARG C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -74.11 -41.07 -70.29 -74.60 -64.09 0.49 2 0 "[ . 1]"
58 . 1 75 ALA C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -95.52 -41.90 -76.33 -81.63 -69.87 . . 0 "[ . 1]"
59 . 1 76 VAL C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -80.05 -50.13 -68.21 -69.24 -67.28 . . 0 "[ . 1]"
60 . 1 77 LEU C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -74.57 -40.25 -57.82 -57.98 -58.10 . . 0 "[ . 1]"
61 . 1 78 LYS C 1 79 SER N 1 79 SER CA 1 79 SER C -81.63 -49.89 -60.83 -61.20 -60.53 . . 0 "[ . 1]"
62 . 1 79 SER C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -72.37 -53.09 -61.23 -61.29 -61.33 . . 0 "[ . 1]"
63 . 1 80 PHE C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -72.98 -49.62 -59.85 -59.89 -60.17 . . 0 "[ . 1]"
64 . 1 81 LEU C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -72.32 -47.90 -58.70 -59.20 -56.29 . . 0 "[ . 1]"
65 . 1 82 GLU C 1 83 SER N 1 83 SER CA 1 83 SER C -75.57 -49.75 -63.75 -64.41 -62.43 . . 0 "[ . 1]"
66 . 1 83 SER C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -72.16 -59.14 -59.81 -60.23 -59.19 . . 0 "[ . 1]"
67 . 1 84 VAL C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -80.12 -49.16 -64.42 -65.21 -66.56 . . 0 "[ . 1]"
68 . 1 85 ILE C 1 86 ARG N 1 86 ARG CA 1 86 ARG C -69.42 -49.84 -61.92 -61.56 -61.95 . . 0 "[ . 1]"
69 . 1 86 ARG C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -83.04 -51.64 -76.23 -80.12 -74.32 . . 0 "[ . 1]"
70 . 1 87 ASP C 1 88 SER N 1 88 SER CA 1 88 SER C -132.21 -35.63 -76.78 -84.43 -71.64 . . 0 "[ . 1]"
71 . 1 88 SER C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -72.10 -46.20 -66.13 -64.07 -64.77 . . 0 "[ . 1]"
72 . 1 89 VAL C 1 90 THR N 1 90 THR CA 1 90 THR C -76.88 -53.16 -62.36 -61.88 -62.02 . . 0 "[ . 1]"
73 . 1 90 THR C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -76.43 -53.81 -71.80 -72.64 -70.37 . . 0 "[ . 1]"
74 . 1 91 TYR C 1 92 THR N 1 92 THR CA 1 92 THR C -82.73 -47.45 -68.59 -69.37 -67.90 . . 0 "[ . 1]"
75 . 1 92 THR C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -80.23 -48.09 -61.53 -61.72 -61.91 . . 0 "[ . 1]"
76 . 1 93 GLU C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -80.94 -52.68 -59.18 -60.24 -58.47 . . 0 "[ . 1]"
77 . 1 94 HIS C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -109.73 -75.41 -101.99 -100.40 -101.23 . . 0 "[ . 1]"
78 . 1 95 ALA C 1 96 LYS N 1 96 LYS CA 1 96 LYS C 36.89 80.17 36.10 34.73 33.59 4.40 1 0 "[ . 1]"
79 . 1 96 LYS C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -164.72 -77.08 -98.78 -104.97 -94.76 . . 0 "[ . 1]"
80 . 1 97 ARG C 1 98 LYS N 1 98 LYS CA 1 98 LYS C 176.24 -101.66 -133.34 -138.22 -129.12 . . 0 "[ . 1]"
81 . 1 98 LYS C 1 99 THR N 1 99 THR CA 1 99 THR C -166.35 -84.87 -166.47 -166.00 -166.83 1.30 6 0 "[ . 1]"
82 . 1 99 THR C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -140.43 -61.75 -107.71 -113.44 -96.32 . . 0 "[ . 1]"
83 . 1 100 VAL C 1 101 THR N 1 101 THR CA 1 101 THR C -127.75 -63.51 -124.19 -128.53 -109.35 0.78 6 0 "[ . 1]"
84 . 1 101 THR C 1 102 SER N 1 102 SER CA 1 102 SER C -75.73 -44.99 -62.28 -62.18 -62.32 . . 0 "[ . 1]"
85 . 1 102 SER C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -80.50 -54.44 -68.86 -70.50 -67.07 . . 0 "[ . 1]"
86 . 1 103 LEU C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -72.41 -46.71 -64.27 -62.55 -63.43 . . 0 "[ . 1]"
87 . 1 104 ASP C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -77.76 -48.92 -63.53 -64.25 -62.73 . . 0 "[ . 1]"
88 . 1 105 VAL C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -76.75 -51.87 -61.18 -60.78 -61.28 . . 0 "[ . 1]"
89 . 1 106 VAL C 1 107 TYR N 1 107 TYR CA 1 107 TYR C -77.22 -52.60 -62.52 -61.66 -61.99 . . 0 "[ . 1]"
90 . 1 107 TYR C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -82.89 -45.93 -63.09 -62.25 -63.08 . . 0 "[ . 1]"
91 . 1 108 ALA C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -80.42 -53.22 -66.89 -69.49 -64.02 . . 0 "[ . 1]"
92 . 1 109 LEU C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -78.69 -46.99 -60.46 -61.15 -59.77 . . 0 "[ . 1]"
93 . 1 110 LYS C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -80.99 -51.95 -73.08 -73.76 -74.68 . . 0 "[ . 1]"
94 . 1 111 ARG C 1 112 GLN N 1 112 GLN CA 1 112 GLN C -111.39 -65.35 -71.57 -79.97 -63.86 1.49 6 0 "[ . 1]"
95 . 1 112 GLN C 1 113 GLY N 1 113 GLY CA 1 113 GLY C 65.64 111.52 107.94 112.57 112.38 1.30 2 0 "[ . 1]"
96 . 1 2 ILE N 1 2 ILE CA 1 2 ILE C 1 3 SER N -98.80 33.96 -29.51 -29.19 -43.92 . . 0 "[ . 1]"
97 . 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 LYS N -58.30 10.10 -41.20 -43.89 -38.94 . . 0 "[ . 1]"
98 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 ALA N -58.47 -27.23 -44.51 -41.67 -44.06 . . 0 "[ . 1]"
99 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 ARG N -49.46 -34.04 -39.08 -39.30 -39.48 . . 0 "[ . 1]"
100 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 LEU N -53.68 -33.10 -40.31 -42.43 -38.69 . . 0 "[ . 1]"
101 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 VAL N -49.43 -34.81 -43.57 -44.20 -43.23 . . 0 "[ . 1]"
102 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LYS N -55.61 -27.89 -44.44 -45.62 -42.17 . . 0 "[ . 1]"
103 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 GLU N -52.13 -31.33 -38.65 -39.22 -37.91 . . 0 "[ . 1]"
104 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 VAL N -57.04 -16.74 -45.85 -48.43 -44.70 . . 0 "[ . 1]"
105 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 THR N -57.97 -27.81 -45.95 -46.56 -46.76 . . 0 "[ . 1]"
106 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 ASP N -52.86 -27.96 -37.37 -39.05 -32.19 . . 0 "[ . 1]"
107 . 1 16 ASP N 1 16 ASP CA 1 16 ASP C 1 17 GLU N -55.92 -24.02 -38.18 -38.94 -36.21 . . 0 "[ . 1]"
108 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 PHE N -54.35 -16.57 -40.34 -40.94 -39.22 . . 0 "[ . 1]"
109 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 THR N -51.70 -28.34 -41.76 -42.71 -39.33 . . 0 "[ . 1]"
110 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 THR N -69.68 8.78 11.77 12.18 11.91 3.72 2 0 "[ . 1]"
111 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 LYS N -55.33 -8.33 -15.01 -15.85 -14.51 . . 0 "[ . 1]"
112 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ASP N -56.52 23.28 24.10 25.35 24.36 2.57 10 0 "[ . 1]"
113 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 ASP N -73.99 22.63 -28.33 -54.48 -21.80 . . 0 "[ . 1]"
114 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 ARG N 101.42 166.94 167.36 166.27 167.92 0.98 10 0 "[ . 1]"
115 . 1 26 ARG N 1 26 ARG CA 1 26 ARG C 1 27 TRP N 121.53 179.25 135.92 130.75 137.62 . . 0 "[ . 1]"
116 . 1 27 TRP N 1 27 TRP CA 1 27 TRP C 1 28 GLN N 113.21 153.33 113.45 111.48 114.35 1.73 4 0 "[ . 1]"
117 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 SER N 98.83 -155.31 163.89 160.83 172.80 . . 0 "[ . 1]"
118 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 MET N -54.97 -21.11 -26.69 -27.34 -34.37 . . 0 "[ . 1]"
119 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 ALA N -59.40 -14.60 -37.40 -37.69 -38.59 . . 0 "[ . 1]"
120 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ILE N -53.43 -32.13 -42.68 -44.65 -45.61 . . 0 "[ . 1]"
121 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 MET N -53.57 -23.43 -40.83 -50.00 -39.05 . . 0 "[ . 1]"
122 . 1 33 MET N 1 33 MET CA 1 33 MET C 1 34 ALA N -51.39 -25.35 -35.41 -37.94 -28.60 . . 0 "[ . 1]"
123 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 LEU N -52.05 -28.51 -39.14 -38.89 -39.20 . . 0 "[ . 1]"
124 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 GLN N -53.53 -24.59 -39.06 -39.78 -37.86 . . 0 "[ . 1]"
125 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 GLU N -60.42 -20.06 -41.45 -41.20 -41.74 . . 0 "[ . 1]"
126 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 ALA N -54.05 -34.15 -38.32 -39.44 -35.61 . . 0 "[ . 1]"
127 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 SER N -50.62 -26.58 -47.24 -45.62 -46.42 . . 0 "[ . 1]"
128 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 GLU N -54.72 -25.68 -45.77 -45.89 -47.02 . . 0 "[ . 1]"
129 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 ALA N -55.67 -27.13 -33.57 -31.59 -33.22 . . 0 "[ . 1]"
130 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 TYR N -51.44 -24.42 -41.36 -42.76 -39.69 . . 0 "[ . 1]"
131 . 1 42 TYR N 1 42 TYR CA 1 42 TYR C 1 43 LEU N -54.06 -30.74 -40.52 -41.46 -42.57 . . 0 "[ . 1]"
132 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 VAL N -52.07 -31.47 -47.39 -51.45 -44.35 . . 0 "[ . 1]"
133 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 GLY N -52.84 -34.64 -41.50 -42.13 -40.27 . . 0 "[ . 1]"
134 . 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 LEU N -52.05 -29.19 -40.86 -40.72 -40.72 . . 0 "[ . 1]"
135 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 LEU N -54.64 -30.24 -45.40 -45.24 -46.04 . . 0 "[ . 1]"
136 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 GLU N -46.15 -7.17 -49.42 -50.37 -48.10 4.22 4 0 "[ . 1]"
137 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 HIS N -46.04 -17.10 -36.50 -38.53 -27.15 . . 0 "[ . 1]"
138 . 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 THR N -45.19 30.59 -33.69 -46.02 17.20 0.83 3 0 "[ . 1]"
139 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 LEU N -78.85 14.29 -14.37 -22.33 -33.92 . . 0 "[ . 1]"
140 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 ALA N -71.56 18.18 -25.69 -29.81 -32.41 . . 0 "[ . 1]"
141 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 LEU N -65.30 -8.28 -19.87 -8.27 -13.60 0.51 10 0 "[ . 1]"
142 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 HIS N -53.45 19.69 -25.27 13.39 -40.41 0.78 10 0 "[ . 1]"
143 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 VAL N 83.93 -166.57 161.47 162.28 160.01 . . 0 "[ . 1]"
144 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 PRO N 98.66 178.88 95.98 91.62 99.72 7.04 6 1 "[ .+ 1]"
145 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 ARG N 126.26 167.80 137.34 123.07 148.54 3.19 8 0 "[ . 1]"
146 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 TYR N -56.20 -7.90 -42.99 -45.05 -41.68 . . 0 "[ . 1]"
147 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 GLU N -57.85 -32.17 -42.19 -45.94 -39.34 . . 0 "[ . 1]"
148 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 GLU N -60.19 -31.07 -44.68 -45.41 -45.69 . . 0 "[ . 1]"
149 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 VAL N -64.78 -20.66 -45.80 -44.40 -45.16 . . 0 "[ . 1]"
150 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 ARG N -51.50 -26.44 -40.33 -39.66 -41.34 . . 0 "[ . 1]"
151 . 1 74 ARG N 1 74 ARG CA 1 74 ARG C 1 75 ALA N -61.23 -31.55 -47.77 -48.34 -48.91 . . 0 "[ . 1]"
152 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 VAL N -61.64 -25.80 -29.03 -28.69 -32.58 0.55 2 0 "[ . 1]"
153 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 LEU N -57.23 -21.19 -36.33 -34.65 -39.13 . . 0 "[ . 1]"
154 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LYS N -57.78 -22.34 -37.39 -37.81 -38.20 . . 0 "[ . 1]"
155 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 SER N -61.66 -36.94 -43.82 -44.23 -43.13 . . 0 "[ . 1]"
156 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 PHE N -49.87 -20.63 -44.87 -45.37 -44.19 . . 0 "[ . 1]"
157 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 LEU N -57.55 -36.25 -52.27 -52.81 -52.04 . . 0 "[ . 1]"
158 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 GLU N -53.28 -26.12 -46.83 -47.07 -48.46 . . 0 "[ . 1]"
159 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 SER N -52.71 -26.85 -48.34 -48.90 -47.59 . . 0 "[ . 1]"
160 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 VAL N -56.01 -31.29 -38.09 -37.96 -38.91 . . 0 "[ . 1]"
161 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 ILE N -48.92 -35.56 -42.20 -43.23 -39.70 . . 0 "[ . 1]"
162 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 ARG N -58.26 -29.18 -43.32 -44.47 -41.20 . . 0 "[ . 1]"
163 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 ASP N -51.37 -32.33 -39.98 -39.92 -40.99 . . 0 "[ . 1]"
164 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 SER N -57.27 -18.09 -30.07 -32.23 -33.08 . . 0 "[ . 1]"
165 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 VAL N -77.81 43.07 -44.38 -45.21 -46.54 . . 0 "[ . 1]"
166 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 THR N -53.93 -24.19 -35.47 -36.73 -37.24 . . 0 "[ . 1]"
167 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 TYR N -52.66 -27.56 -49.04 -48.17 -48.91 . . 0 "[ . 1]"
168 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 THR N -48.88 -26.16 -36.45 -36.19 -36.27 . . 0 "[ . 1]"
169 . 1 92 THR N 1 92 THR CA 1 92 THR C 1 93 GLU N -52.24 -33.84 -46.70 -46.17 -46.39 . . 0 "[ . 1]"
170 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 HIS N -62.47 -23.05 -35.19 -35.90 -34.64 . . 0 "[ . 1]"
171 . 1 94 HIS N 1 94 HIS CA 1 94 HIS C 1 95 ALA N -45.00 -3.32 -37.33 -37.43 -37.54 . . 0 "[ . 1]"
172 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 LYS N -13.26 26.58 23.80 21.92 26.59 0.01 9 0 "[ . 1]"
173 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 ARG N 18.79 66.11 37.19 37.05 35.27 . . 0 "[ . 1]"
174 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 LYS N 126.30 -161.80 159.94 163.57 160.88 . . 0 "[ . 1]"
175 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 THR N 79.68 -178.62 78.00 77.79 77.54 2.47 6 0 "[ . 1]"
176 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 VAL N 97.68 150.82 147.13 147.43 147.30 0.26 6 0 "[ . 1]"
177 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 THR N 102.69 170.09 121.21 124.43 123.48 . . 0 "[ . 1]"
178 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 SER N 151.42 -166.66 150.65 151.09 150.95 1.99 9 0 "[ . 1]"
179 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 LEU N -50.14 -19.72 -20.64 -19.73 -20.89 0.27 5 0 "[ . 1]"
180 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 ASP N -49.83 -29.13 -47.49 -49.39 -45.08 . . 0 "[ . 1]"
181 . 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 VAL N -52.48 -32.60 -33.32 -33.01 -33.95 0.47 6 0 "[ . 1]"
182 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 VAL N -49.23 -37.47 -42.92 -43.02 -43.17 . . 0 "[ . 1]"
183 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 TYR N -54.67 -33.69 -41.41 -40.32 -40.53 . . 0 "[ . 1]"
184 . 1 107 TYR N 1 107 TYR CA 1 107 TYR C 1 108 ALA N -60.89 -23.01 -41.86 -43.75 -40.32 . . 0 "[ . 1]"
185 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 LEU N -56.25 -20.03 -41.45 -42.38 -42.80 . . 0 "[ . 1]"
186 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 LYS N -50.60 -29.60 -37.15 -37.53 -37.72 . . 0 "[ . 1]"
187 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ARG N -50.82 -30.52 -45.71 -46.62 -43.35 . . 0 "[ . 1]"
188 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 GLN N -47.85 -11.07 -20.67 -35.76 -16.92 . . 0 "[ . 1]"
189 . 1 112 GLN N 1 112 GLN CA 1 112 GLN C 1 113 GLY N -23.58 18.10 -8.94 -5.24 -9.29 . . 0 "[ . 1]"
190 . 1 113 GLY N 1 113 GLY CA 1 113 GLY C 1 114 ARG N -32.76 32.42 24.39 32.39 24.34 1.80 2 0 "[ . 1]"
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