NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376231 |
1f96   |
4911 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1f96
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 227
_TA_constraint_stats_list.Viol_count 132
_TA_constraint_stats_list.Viol_total 925.81
_TA_constraint_stats_list.Viol_max 1.21
_TA_constraint_stats_list.Viol_rms 0.07
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.35
_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 15 GLU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -90.00 -30.00 -61.70 -69.53 -58.03 . . 0 "[ . 1 . 2]"
2 . 1 16 GLU C 1 17 MET N 1 17 MET CA 1 17 MET C -90.00 -30.00 -60.82 -68.33 -57.21 . . 0 "[ . 1 . 2]"
3 . 1 17 MET C 1 18 GLN N 1 18 GLN CA 1 18 GLN C -90.00 -30.00 -61.41 -65.58 -55.34 . . 0 "[ . 1 . 2]"
4 . 1 18 GLN C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -90.00 -30.00 -64.98 -71.21 -59.55 . . 0 "[ . 1 . 2]"
5 . 1 19 GLN C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -90.00 -30.00 -64.67 -67.13 -67.54 . . 0 "[ . 1 . 2]"
6 . 1 20 ASP C 1 21 SER N 1 21 SER CA 1 21 SER C -90.00 -30.00 -66.69 -68.75 -63.77 . . 0 "[ . 1 . 2]"
7 . 1 21 SER C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -90.00 -30.00 -64.08 -67.33 -59.63 . . 0 "[ . 1 . 2]"
8 . 1 22 VAL C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -90.00 -30.00 -66.70 -68.71 -64.38 . . 0 "[ . 1 . 2]"
9 . 1 23 GLU C 1 24 CYS N 1 24 CYS CA 1 24 CYS C -90.00 -30.00 -64.34 -68.74 -60.04 . . 0 "[ . 1 . 2]"
10 . 1 24 CYS C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -90.00 -30.00 -69.51 -71.53 -67.11 . . 0 "[ . 1 . 2]"
11 . 1 25 ALA C 1 26 THR N 1 26 THR CA 1 26 THR C -90.00 -30.00 -60.37 -65.09 -57.38 . . 0 "[ . 1 . 2]"
12 . 1 26 THR C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -90.00 -30.00 -59.41 -61.13 -57.16 . . 0 "[ . 1 . 2]"
13 . 1 27 GLN C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -90.00 -30.00 -54.40 -54.42 -55.39 . . 0 "[ . 1 . 2]"
14 . 1 28 ALA C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -90.00 -30.00 -62.11 -70.07 -57.84 . . 0 "[ . 1 . 2]"
15 . 1 29 LEU C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -90.00 -30.00 -65.94 -72.22 -59.19 . . 0 "[ . 1 . 2]"
16 . 1 30 GLU C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -90.00 -30.00 -83.19 -90.31 -71.13 0.31 10 0 "[ . 1 . 2]"
17 . 1 36 LYS C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -90.00 -30.00 -55.04 -59.66 -50.51 . . 0 "[ . 1 . 2]"
18 . 1 37 ASP C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -90.00 -30.00 -50.97 -51.87 -52.46 . . 0 "[ . 1 . 2]"
19 . 1 38 ILE C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -90.00 -30.00 -64.67 -64.03 -64.49 . . 0 "[ . 1 . 2]"
20 . 1 39 ALA C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -90.00 -30.00 -65.73 -67.19 -67.60 . . 0 "[ . 1 . 2]"
21 . 1 40 ALA C 1 41 HIS N 1 41 HIS CA 1 41 HIS C -90.00 -30.00 -64.56 -69.91 -59.97 . . 0 "[ . 1 . 2]"
22 . 1 41 HIS C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -90.00 -30.00 -59.57 -60.41 -60.88 . . 0 "[ . 1 . 2]"
23 . 1 42 ILE C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -90.00 -30.00 -60.07 -56.42 -56.84 . . 0 "[ . 1 . 2]"
24 . 1 43 LYS C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -90.00 -30.00 -62.07 -70.26 -54.23 . . 0 "[ . 1 . 2]"
25 . 1 44 LYS C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -90.00 -30.00 -56.13 -55.95 -56.19 . . 0 "[ . 1 . 2]"
26 . 1 45 GLU C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -90.00 -30.00 -69.39 -78.37 -65.25 . . 0 "[ . 1 . 2]"
27 . 1 46 PHE C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -90.00 -30.00 -57.49 -60.26 -62.69 . . 0 "[ . 1 . 2]"
28 . 1 47 ASP C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -90.00 -30.00 -78.21 -85.82 -69.19 . . 0 "[ . 1 . 2]"
29 . 1 48 LYS C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -90.00 -30.00 -78.67 -79.54 -80.17 . . 0 "[ . 1 . 2]"
30 . 1 49 LYS C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -90.00 -30.00 -81.34 -84.10 -85.29 . . 0 "[ . 1 . 2]"
31 . 1 54 TRP C 1 55 HIS N 1 55 HIS CA 1 55 HIS C -170.00 -70.00 -104.96 -115.03 -91.44 . . 0 "[ . 1 . 2]"
32 . 1 55 HIS C 1 56 CYS N 1 56 CYS CA 1 56 CYS C -170.00 -70.00 -134.36 -150.76 -117.77 . . 0 "[ . 1 . 2]"
33 . 1 56 CYS C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -170.00 -70.00 -146.50 -152.13 -132.66 . . 0 "[ . 1 . 2]"
34 . 1 57 ILE C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -170.00 -70.00 -151.83 -157.18 -136.26 . . 0 "[ . 1 . 2]"
35 . 1 62 PHE C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -170.00 -70.00 -95.12 -95.64 -96.71 . . 0 "[ . 1 . 2]"
36 . 1 63 GLY C 1 64 SER N 1 64 SER CA 1 64 SER C -170.00 -70.00 -147.58 -159.84 -160.61 . . 0 "[ . 1 . 2]"
37 . 1 65 TYR C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -170.00 -70.00 -156.36 -158.82 -153.54 . . 0 "[ . 1 . 2]"
38 . 1 66 VAL C 1 67 THR N 1 67 THR CA 1 67 THR C -170.00 -70.00 -117.01 -130.05 -95.63 . . 0 "[ . 1 . 2]"
39 . 1 73 PHE C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -170.00 -70.00 -161.67 -155.93 -158.37 . . 0 "[ . 1 . 2]"
40 . 1 74 ILE C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -170.00 -70.00 -138.33 -139.84 -141.95 . . 0 "[ . 1 . 2]"
41 . 1 75 TYR C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -170.00 -70.00 -166.39 -166.16 -166.54 . . 0 "[ . 1 . 2]"
42 . 1 76 PHE C 1 77 TYR N 1 77 TYR CA 1 77 TYR C -170.00 -70.00 -81.46 -94.56 -73.18 . . 0 "[ . 1 . 2]"
43 . 1 77 TYR C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -170.00 -70.00 -163.96 -165.20 -168.60 0.43 11 0 "[ . 1 . 2]"
44 . 1 81 VAL C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -170.00 -70.00 -73.52 -85.75 -69.78 0.22 3 0 "[ . 1 . 2]"
45 . 1 82 ALA C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -170.00 -70.00 -114.49 -132.68 -100.51 . . 0 "[ . 1 . 2]"
46 . 1 83 ILE C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -170.00 -70.00 -132.95 -132.72 -134.22 . . 0 "[ . 1 . 2]"
47 . 1 84 LEU C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -170.00 -70.00 -153.87 -160.10 -109.08 . . 0 "[ . 1 . 2]"
48 . 1 86 PHE C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -170.00 -70.00 -97.25 -152.61 -79.00 . . 0 "[ . 1 . 2]"
49 . 3 2 LYS C 3 3 ASP N 3 3 ASP CA 3 3 ASP C -170.00 -70.00 -84.19 -76.57 -78.74 0.21 19 0 "[ . 1 . 2]"
50 . 3 3 ASP C 3 4 THR N 3 4 THR CA 3 4 THR C -170.00 -70.00 -77.43 -88.75 -69.86 0.14 17 0 "[ . 1 . 2]"
51 . 3 4 THR C 3 5 GLY N 3 5 GLY CA 3 5 GLY C -170.00 -70.00 -139.87 -133.04 -135.43 . . 0 "[ . 1 . 2]"
52 . 3 5 GLY C 3 6 ILE N 3 6 ILE CA 3 6 ILE C -170.00 -70.00 -158.81 -151.21 -153.59 . . 0 "[ . 1 . 2]"
53 . 3 6 ILE C 3 7 GLN N 3 7 GLN CA 3 7 GLN C -170.00 -70.00 -139.40 -160.49 -162.62 . . 0 "[ . 1 . 2]"
54 . 3 7 GLN C 3 8 VAL N 3 8 VAL CA 3 8 VAL C -170.00 -70.00 -80.52 -69.51 -69.62 0.87 17 0 "[ . 1 . 2]"
55 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLU N -70.00 -10.00 -46.80 -47.28 -48.21 . . 0 "[ . 1 . 2]"
56 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 MET N -70.00 -10.00 -42.89 -47.79 -37.16 . . 0 "[ . 1 . 2]"
57 . 1 17 MET N 1 17 MET CA 1 17 MET C 1 18 GLN N -70.00 -10.00 -48.85 -48.42 -49.64 . . 0 "[ . 1 . 2]"
58 . 1 18 GLN N 1 18 GLN CA 1 18 GLN C 1 19 GLN N -70.00 -10.00 -39.49 -38.53 -39.07 . . 0 "[ . 1 . 2]"
59 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 ASP N -70.00 -10.00 -42.13 -40.78 -41.00 . . 0 "[ . 1 . 2]"
60 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 SER N -70.00 -10.00 -37.46 -39.88 -34.30 . . 0 "[ . 1 . 2]"
61 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 VAL N -70.00 -10.00 -43.80 -46.35 -41.15 . . 0 "[ . 1 . 2]"
62 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 GLU N -70.00 -10.00 -46.48 -45.91 -46.55 . . 0 "[ . 1 . 2]"
63 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 CYS N -70.00 -10.00 -43.97 -42.29 -43.26 . . 0 "[ . 1 . 2]"
64 . 1 24 CYS N 1 24 CYS CA 1 24 CYS C 1 25 ALA N -70.00 -10.00 -33.67 -38.93 -31.01 . . 0 "[ . 1 . 2]"
65 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 THR N -70.00 -10.00 -39.09 -41.28 -35.98 . . 0 "[ . 1 . 2]"
66 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 GLN N -70.00 -10.00 -46.77 -45.49 -46.56 . . 0 "[ . 1 . 2]"
67 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 ALA N -70.00 -10.00 -42.66 -49.17 -36.28 . . 0 "[ . 1 . 2]"
68 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 LEU N -70.00 -10.00 -43.29 -44.09 -44.91 . . 0 "[ . 1 . 2]"
69 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLU N -70.00 -10.00 -48.59 -48.41 -48.95 . . 0 "[ . 1 . 2]"
70 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 LYS N -70.00 -10.00 -30.34 -31.36 -32.54 . . 0 "[ . 1 . 2]"
71 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 LYS N -70.00 -10.00 -51.11 -47.56 -49.11 0.26 13 0 "[ . 1 . 2]"
72 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 ASP N -70.00 -10.00 -55.73 -53.31 -53.82 . . 0 "[ . 1 . 2]"
73 . 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 ILE N -70.00 -10.00 -43.15 -43.73 -44.22 . . 0 "[ . 1 . 2]"
74 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 ALA N -70.00 -10.00 -49.42 -44.75 -46.73 . . 0 "[ . 1 . 2]"
75 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 ALA N -70.00 -10.00 -31.19 -42.30 -21.33 . . 0 "[ . 1 . 2]"
76 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 HIS N -70.00 -10.00 -54.88 -50.24 -54.32 . . 0 "[ . 1 . 2]"
77 . 1 41 HIS N 1 41 HIS CA 1 41 HIS C 1 42 ILE N -70.00 -10.00 -49.60 -62.13 -41.73 . . 0 "[ . 1 . 2]"
78 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 LYS N -70.00 -10.00 -44.18 -54.52 -35.90 . . 0 "[ . 1 . 2]"
79 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 LYS N -70.00 -10.00 -51.08 -59.12 -32.78 . . 0 "[ . 1 . 2]"
80 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 GLU N -70.00 -10.00 -44.59 -51.34 -34.85 . . 0 "[ . 1 . 2]"
81 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 PHE N -70.00 -10.00 -48.80 -47.16 -47.85 . . 0 "[ . 1 . 2]"
82 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 ASP N -70.00 -10.00 -43.37 -46.89 -39.49 . . 0 "[ . 1 . 2]"
83 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C 1 48 LYS N -70.00 -10.00 -36.99 -37.18 -38.13 . . 0 "[ . 1 . 2]"
84 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 LYS N -70.00 -10.00 -42.71 -39.65 -39.87 . . 0 "[ . 1 . 2]"
85 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 TYR N -70.00 -10.00 -62.97 -70.27 -50.82 0.27 12 0 "[ . 1 . 2]"
86 . 1 54 TRP N 1 54 TRP CA 1 54 TRP C 1 55 HIS N 70.00 170.00 131.28 122.46 137.67 . . 0 "[ . 1 . 2]"
87 . 1 55 HIS N 1 55 HIS CA 1 55 HIS C 1 56 CYS N 70.00 170.00 135.11 137.53 136.87 . . 0 "[ . 1 . 2]"
88 . 1 56 CYS N 1 56 CYS CA 1 56 CYS C 1 57 ILE N 70.00 170.00 145.85 144.52 142.72 . . 0 "[ . 1 . 2]"
89 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 VAL N 70.00 170.00 142.78 146.02 145.49 . . 0 "[ . 1 . 2]"
90 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 GLY N 70.00 170.00 135.79 129.19 140.53 . . 0 "[ . 1 . 2]"
91 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 SER N 70.00 170.00 138.30 146.48 143.43 . . 0 "[ . 1 . 2]"
92 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 TYR N 70.00 170.00 151.49 142.26 167.01 . . 0 "[ . 1 . 2]"
93 . 1 65 TYR N 1 65 TYR CA 1 65 TYR C 1 66 VAL N 70.00 170.00 134.48 139.79 137.50 . . 0 "[ . 1 . 2]"
94 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 THR N 70.00 170.00 164.56 159.66 159.12 . . 0 "[ . 1 . 2]"
95 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 ILE N 70.00 170.00 142.18 140.36 139.69 . . 0 "[ . 1 . 2]"
96 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 TYR N 70.00 170.00 138.68 129.62 145.67 . . 0 "[ . 1 . 2]"
97 . 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 PHE N 70.00 170.00 136.29 131.70 142.42 . . 0 "[ . 1 . 2]"
98 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 TYR N 70.00 170.00 139.63 143.99 142.16 . . 0 "[ . 1 . 2]"
99 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 LEU N 70.00 170.00 149.89 148.68 146.13 . . 0 "[ . 1 . 2]"
100 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLY N 70.00 170.00 137.82 131.03 145.37 . . 0 "[ . 1 . 2]"
101 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 ALA N 70.00 170.00 135.34 137.43 136.35 . . 0 "[ . 1 . 2]"
102 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 ILE N 70.00 170.00 131.71 135.20 132.27 . . 0 "[ . 1 . 2]"
103 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 LEU N 70.00 170.00 138.30 131.81 149.16 . . 0 "[ . 1 . 2]"
104 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 LEU N 70.00 170.00 140.12 139.83 139.39 . . 0 "[ . 1 . 2]"
105 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 PHE N 70.00 170.00 140.11 141.57 139.81 . . 0 "[ . 1 . 2]"
106 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 SER N 70.00 170.00 163.81 121.36 170.62 0.62 18 0 "[ . 1 . 2]"
107 . 3 2 LYS N 3 2 LYS CA 3 2 LYS C 3 3 ASP N 70.00 170.00 135.06 122.80 150.51 . . 0 "[ . 1 . 2]"
108 . 3 3 ASP N 3 3 ASP CA 3 3 ASP C 3 4 THR N 70.00 170.00 121.12 109.48 132.87 . . 0 "[ . 1 . 2]"
109 . 3 4 THR N 3 4 THR CA 3 4 THR C 3 5 GLY N 70.00 170.00 140.69 132.40 152.42 . . 0 "[ . 1 . 2]"
110 . 3 5 GLY N 3 5 GLY CA 3 5 GLY C 3 6 ILE N 70.00 170.00 126.76 117.75 136.88 . . 0 "[ . 1 . 2]"
111 . 3 6 ILE N 3 6 ILE CA 3 6 ILE C 3 7 GLN N 70.00 170.00 156.11 136.02 170.45 0.45 13 0 "[ . 1 . 2]"
112 . 3 7 GLN N 3 7 GLN CA 3 7 GLN C 3 8 VAL N 70.00 170.00 95.48 69.79 69.48 0.76 16 0 "[ . 1 . 2]"
113 . 2 15 GLU C 2 16 GLU N 2 16 GLU CA 2 16 GLU C -90.00 -30.00 -62.22 -67.69 -57.82 . . 0 "[ . 1 . 2]"
114 . 2 16 GLU C 2 17 MET N 2 17 MET CA 2 17 MET C -90.00 -30.00 -65.10 -71.72 -62.40 . . 0 "[ . 1 . 2]"
115 . 2 17 MET C 2 18 GLN N 2 18 GLN CA 2 18 GLN C -90.00 -30.00 -65.74 -67.49 -61.89 . . 0 "[ . 1 . 2]"
116 . 2 18 GLN C 2 19 GLN N 2 19 GLN CA 2 19 GLN C -90.00 -30.00 -70.14 -69.39 -70.80 . . 0 "[ . 1 . 2]"
117 . 2 19 GLN C 2 20 ASP N 2 20 ASP CA 2 20 ASP C -90.00 -30.00 -68.08 -67.20 -68.04 . . 0 "[ . 1 . 2]"
118 . 2 20 ASP C 2 21 SER N 2 21 SER CA 2 21 SER C -90.00 -30.00 -67.40 -69.24 -64.68 . . 0 "[ . 1 . 2]"
119 . 2 21 SER C 2 22 VAL N 2 22 VAL CA 2 22 VAL C -90.00 -30.00 -64.52 -66.32 -60.70 . . 0 "[ . 1 . 2]"
120 . 2 22 VAL C 2 23 GLU N 2 23 GLU CA 2 23 GLU C -90.00 -30.00 -66.69 -68.01 -68.34 . . 0 "[ . 1 . 2]"
121 . 2 23 GLU C 2 24 CYS N 2 24 CYS CA 2 24 CYS C -90.00 -30.00 -63.58 -61.73 -62.22 . . 0 "[ . 1 . 2]"
122 . 2 24 CYS C 2 25 ALA N 2 25 ALA CA 2 25 ALA C -90.00 -30.00 -69.53 -70.37 -71.02 . . 0 "[ . 1 . 2]"
123 . 2 25 ALA C 2 26 THR N 2 26 THR CA 2 26 THR C -90.00 -30.00 -60.60 -65.19 -54.63 . . 0 "[ . 1 . 2]"
124 . 2 26 THR C 2 27 GLN N 2 27 GLN CA 2 27 GLN C -90.00 -30.00 -59.90 -62.49 -57.43 . . 0 "[ . 1 . 2]"
125 . 2 27 GLN C 2 28 ALA N 2 28 ALA CA 2 28 ALA C -90.00 -30.00 -55.60 -59.12 -46.95 . . 0 "[ . 1 . 2]"
126 . 2 28 ALA C 2 29 LEU N 2 29 LEU CA 2 29 LEU C -90.00 -30.00 -62.54 -64.36 -65.16 . . 0 "[ . 1 . 2]"
127 . 2 29 LEU C 2 30 GLU N 2 30 GLU CA 2 30 GLU C -90.00 -30.00 -67.22 -70.64 -63.63 . . 0 "[ . 1 . 2]"
128 . 2 30 GLU C 2 31 LYS N 2 31 LYS CA 2 31 LYS C -90.00 -30.00 -84.69 -84.32 -85.16 . . 0 "[ . 1 . 2]"
129 . 2 35 GLU C 2 36 LYS N 2 36 LYS CA 2 36 LYS C -90.00 -30.00 -61.79 -69.86 -54.63 . . 0 "[ . 1 . 2]"
130 . 2 36 LYS C 2 37 ASP N 2 37 ASP CA 2 37 ASP C -90.00 -30.00 -56.41 -57.40 -59.11 . . 0 "[ . 1 . 2]"
131 . 2 37 ASP C 2 38 ILE N 2 38 ILE CA 2 38 ILE C -90.00 -30.00 -49.95 -55.55 -46.45 . . 0 "[ . 1 . 2]"
132 . 2 38 ILE C 2 39 ALA N 2 39 ALA CA 2 39 ALA C -90.00 -30.00 -64.09 -62.53 -63.07 . . 0 "[ . 1 . 2]"
133 . 2 39 ALA C 2 40 ALA N 2 40 ALA CA 2 40 ALA C -90.00 -30.00 -65.59 -70.11 -59.31 . . 0 "[ . 1 . 2]"
134 . 2 40 ALA C 2 41 HIS N 2 41 HIS CA 2 41 HIS C -90.00 -30.00 -64.17 -68.52 -57.90 . . 0 "[ . 1 . 2]"
135 . 2 41 HIS C 2 42 ILE N 2 42 ILE CA 2 42 ILE C -90.00 -30.00 -60.49 -68.22 -56.14 . . 0 "[ . 1 . 2]"
136 . 2 42 ILE C 2 43 LYS N 2 43 LYS CA 2 43 LYS C -90.00 -30.00 -60.05 -58.58 -59.36 . . 0 "[ . 1 . 2]"
137 . 2 43 LYS C 2 44 LYS N 2 44 LYS CA 2 44 LYS C -90.00 -30.00 -60.89 -59.31 -61.21 . . 0 "[ . 1 . 2]"
138 . 2 44 LYS C 2 45 GLU N 2 45 GLU CA 2 45 GLU C -90.00 -30.00 -56.69 -66.99 -53.02 . . 0 "[ . 1 . 2]"
139 . 2 45 GLU C 2 46 PHE N 2 46 PHE CA 2 46 PHE C -90.00 -30.00 -69.19 -72.66 -72.69 . . 0 "[ . 1 . 2]"
140 . 2 46 PHE C 2 47 ASP N 2 47 ASP CA 2 47 ASP C -90.00 -30.00 -57.83 -64.44 -51.04 . . 0 "[ . 1 . 2]"
141 . 2 47 ASP C 2 48 LYS N 2 48 LYS CA 2 48 LYS C -90.00 -30.00 -76.20 -72.78 -74.43 . . 0 "[ . 1 . 2]"
142 . 2 48 LYS C 2 49 LYS N 2 49 LYS CA 2 49 LYS C -90.00 -30.00 -79.80 -90.31 -72.23 0.31 5 0 "[ . 1 . 2]"
143 . 2 49 LYS C 2 50 TYR N 2 50 TYR CA 2 50 TYR C -90.00 -30.00 -80.26 -77.39 -78.77 0.13 14 0 "[ . 1 . 2]"
144 . 2 54 TRP C 2 55 HIS N 2 55 HIS CA 2 55 HIS C -170.00 -70.00 -105.72 -134.00 -89.20 . . 0 "[ . 1 . 2]"
145 . 2 55 HIS C 2 56 CYS N 2 56 CYS CA 2 56 CYS C -170.00 -70.00 -137.58 -132.26 -134.43 . . 0 "[ . 1 . 2]"
146 . 2 56 CYS C 2 57 ILE N 2 57 ILE CA 2 57 ILE C -170.00 -70.00 -144.13 -151.39 -131.40 . . 0 "[ . 1 . 2]"
147 . 2 57 ILE C 2 58 VAL N 2 58 VAL CA 2 58 VAL C -170.00 -70.00 -152.99 -151.26 -152.54 . . 0 "[ . 1 . 2]"
148 . 2 62 PHE C 2 63 GLY N 2 63 GLY CA 2 63 GLY C -170.00 -70.00 -95.99 -83.63 -89.59 . . 0 "[ . 1 . 2]"
149 . 2 63 GLY C 2 64 SER N 2 64 SER CA 2 64 SER C -170.00 -70.00 -144.39 -128.32 -136.91 . . 0 "[ . 1 . 2]"
150 . 2 65 TYR C 2 66 VAL N 2 66 VAL CA 2 66 VAL C -170.00 -70.00 -157.03 -157.85 -158.28 . . 0 "[ . 1 . 2]"
151 . 2 66 VAL C 2 67 THR N 2 67 THR CA 2 67 THR C -170.00 -70.00 -114.70 -116.00 -116.39 . . 0 "[ . 1 . 2]"
152 . 2 73 PHE C 2 74 ILE N 2 74 ILE CA 2 74 ILE C -170.00 -70.00 -158.96 -166.48 -150.81 . . 0 "[ . 1 . 2]"
153 . 2 74 ILE C 2 75 TYR N 2 75 TYR CA 2 75 TYR C -170.00 -70.00 -139.23 -142.54 -145.63 . . 0 "[ . 1 . 2]"
154 . 2 75 TYR C 2 76 PHE N 2 76 PHE CA 2 76 PHE C -170.00 -70.00 -167.40 -170.30 -163.93 0.30 18 0 "[ . 1 . 2]"
155 . 2 76 PHE C 2 77 TYR N 2 77 TYR CA 2 77 TYR C -170.00 -70.00 -81.03 -81.76 -82.58 . . 0 "[ . 1 . 2]"
156 . 2 77 TYR C 2 78 LEU N 2 78 LEU CA 2 78 LEU C -170.00 -70.00 -166.37 -170.44 -155.80 0.44 3 0 "[ . 1 . 2]"
157 . 2 81 VAL C 2 82 ALA N 2 82 ALA CA 2 82 ALA C -170.00 -70.00 -71.78 -73.54 -76.58 0.56 7 0 "[ . 1 . 2]"
158 . 2 82 ALA C 2 83 ILE N 2 83 ILE CA 2 83 ILE C -170.00 -70.00 -122.39 -132.79 -105.71 . . 0 "[ . 1 . 2]"
159 . 2 83 ILE C 2 84 LEU N 2 84 LEU CA 2 84 LEU C -170.00 -70.00 -137.42 -143.63 -129.86 . . 0 "[ . 1 . 2]"
160 . 2 84 LEU C 2 85 LEU N 2 85 LEU CA 2 85 LEU C -170.00 -70.00 -156.27 -158.87 -159.27 . . 0 "[ . 1 . 2]"
161 . 2 86 PHE C 2 87 LYS N 2 87 LYS CA 2 87 LYS C -170.00 -70.00 -92.23 -106.30 -78.98 . . 0 "[ . 1 . 2]"
162 . 4 2 LYS C 4 3 ASP N 4 3 ASP CA 4 3 ASP C -170.00 -70.00 -95.37 -77.32 -80.05 0.04 2 0 "[ . 1 . 2]"
163 . 4 3 ASP C 4 4 THR N 4 4 THR CA 4 4 THR C -170.00 -70.00 -76.36 -75.59 -76.32 0.35 6 0 "[ . 1 . 2]"
164 . 4 4 THR C 4 5 GLY N 4 5 GLY CA 4 5 GLY C -170.00 -70.00 -147.19 -159.84 -135.34 . . 0 "[ . 1 . 2]"
165 . 4 5 GLY C 4 6 ILE N 4 6 ILE CA 4 6 ILE C -170.00 -70.00 -159.79 -162.56 -153.38 . . 0 "[ . 1 . 2]"
166 . 4 6 ILE C 4 7 GLN N 4 7 GLN CA 4 7 GLN C -170.00 -70.00 -127.86 -144.37 -159.14 . . 0 "[ . 1 . 2]"
167 . 4 7 GLN C 4 8 VAL N 4 8 VAL CA 4 8 VAL C -170.00 -70.00 -80.29 -137.57 -69.11 0.89 15 0 "[ . 1 . 2]"
168 . 2 15 GLU N 2 15 GLU CA 2 15 GLU C 2 16 GLU N -70.00 -10.00 -44.83 -42.33 -43.31 . . 0 "[ . 1 . 2]"
169 . 2 16 GLU N 2 16 GLU CA 2 16 GLU C 2 17 MET N -70.00 -10.00 -42.55 -43.58 -44.30 . . 0 "[ . 1 . 2]"
170 . 2 17 MET N 2 17 MET CA 2 17 MET C 2 18 GLN N -70.00 -10.00 -47.78 -42.88 -45.14 . . 0 "[ . 1 . 2]"
171 . 2 18 GLN N 2 18 GLN CA 2 18 GLN C 2 19 GLN N -70.00 -10.00 -38.96 -44.21 -36.69 . . 0 "[ . 1 . 2]"
172 . 2 19 GLN N 2 19 GLN CA 2 19 GLN C 2 20 ASP N -70.00 -10.00 -38.25 -33.83 -35.98 . . 0 "[ . 1 . 2]"
173 . 2 20 ASP N 2 20 ASP CA 2 20 ASP C 2 21 SER N -70.00 -10.00 -37.55 -40.78 -33.56 . . 0 "[ . 1 . 2]"
174 . 2 21 SER N 2 21 SER CA 2 21 SER C 2 22 VAL N -70.00 -10.00 -43.18 -42.61 -42.88 . . 0 "[ . 1 . 2]"
175 . 2 22 VAL N 2 22 VAL CA 2 22 VAL C 2 23 GLU N -70.00 -10.00 -46.73 -46.37 -46.71 . . 0 "[ . 1 . 2]"
176 . 2 23 GLU N 2 23 GLU CA 2 23 GLU C 2 24 CYS N -70.00 -10.00 -43.66 -47.22 -41.15 . . 0 "[ . 1 . 2]"
177 . 2 24 CYS N 2 24 CYS CA 2 24 CYS C 2 25 ALA N -70.00 -10.00 -34.22 -39.88 -28.37 . . 0 "[ . 1 . 2]"
178 . 2 25 ALA N 2 25 ALA CA 2 25 ALA C 2 26 THR N -70.00 -10.00 -39.43 -36.53 -37.62 . . 0 "[ . 1 . 2]"
179 . 2 26 THR N 2 26 THR CA 2 26 THR C 2 27 GLN N -70.00 -10.00 -45.47 -45.06 -45.66 . . 0 "[ . 1 . 2]"
180 . 2 27 GLN N 2 27 GLN CA 2 27 GLN C 2 28 ALA N -70.00 -10.00 -42.74 -46.86 -48.02 . . 0 "[ . 1 . 2]"
181 . 2 28 ALA N 2 28 ALA CA 2 28 ALA C 2 29 LEU N -70.00 -10.00 -43.62 -40.92 -41.43 . . 0 "[ . 1 . 2]"
182 . 2 29 LEU N 2 29 LEU CA 2 29 LEU C 2 30 GLU N -70.00 -10.00 -46.68 -53.35 -41.58 . . 0 "[ . 1 . 2]"
183 . 2 30 GLU N 2 30 GLU CA 2 30 GLU C 2 31 LYS N -70.00 -10.00 -31.64 -33.76 -36.93 . . 0 "[ . 1 . 2]"
184 . 2 31 LYS N 2 31 LYS CA 2 31 LYS C 2 32 TYR N -70.00 -10.00 -34.67 -29.27 -32.32 . . 0 "[ . 1 . 2]"
185 . 2 35 GLU N 2 35 GLU CA 2 35 GLU C 2 36 LYS N -70.00 -10.00 -46.76 -55.35 -38.29 . . 0 "[ . 1 . 2]"
186 . 2 36 LYS N 2 36 LYS CA 2 36 LYS C 2 37 ASP N -70.00 -10.00 -55.10 -58.63 -48.87 . . 0 "[ . 1 . 2]"
187 . 2 37 ASP N 2 37 ASP CA 2 37 ASP C 2 38 ILE N -70.00 -10.00 -43.27 -47.72 -39.48 . . 0 "[ . 1 . 2]"
188 . 2 38 ILE N 2 38 ILE CA 2 38 ILE C 2 39 ALA N -70.00 -10.00 -50.66 -46.36 -47.66 . . 0 "[ . 1 . 2]"
189 . 2 39 ALA N 2 39 ALA CA 2 39 ALA C 2 40 ALA N -70.00 -10.00 -30.73 -41.21 -23.07 . . 0 "[ . 1 . 2]"
190 . 2 40 ALA N 2 40 ALA CA 2 40 ALA C 2 41 HIS N -70.00 -10.00 -55.82 -45.85 -46.43 . . 0 "[ . 1 . 2]"
191 . 2 41 HIS N 2 41 HIS CA 2 41 HIS C 2 42 ILE N -70.00 -10.00 -49.46 -54.43 -57.41 . . 0 "[ . 1 . 2]"
192 . 2 42 ILE N 2 42 ILE CA 2 42 ILE C 2 43 LYS N -70.00 -10.00 -43.15 -50.01 -34.00 . . 0 "[ . 1 . 2]"
193 . 2 43 LYS N 2 43 LYS CA 2 43 LYS C 2 44 LYS N -70.00 -10.00 -54.23 -58.48 -59.46 . . 0 "[ . 1 . 2]"
194 . 2 44 LYS N 2 44 LYS CA 2 44 LYS C 2 45 GLU N -70.00 -10.00 -43.02 -51.31 -32.80 . . 0 "[ . 1 . 2]"
195 . 2 45 GLU N 2 45 GLU CA 2 45 GLU C 2 46 PHE N -70.00 -10.00 -49.30 -45.28 -46.48 . . 0 "[ . 1 . 2]"
196 . 2 46 PHE N 2 46 PHE CA 2 46 PHE C 2 47 ASP N -70.00 -10.00 -42.87 -39.31 -40.78 . . 0 "[ . 1 . 2]"
197 . 2 47 ASP N 2 47 ASP CA 2 47 ASP C 2 48 LYS N -70.00 -10.00 -38.22 -43.53 -31.89 . . 0 "[ . 1 . 2]"
198 . 2 48 LYS N 2 48 LYS CA 2 48 LYS C 2 49 LYS N -70.00 -10.00 -42.18 -42.85 -43.89 . . 0 "[ . 1 . 2]"
199 . 2 49 LYS N 2 49 LYS CA 2 49 LYS C 2 50 TYR N -70.00 -10.00 -64.05 -70.24 -57.48 0.24 3 0 "[ . 1 . 2]"
200 . 2 54 TRP N 2 54 TRP CA 2 54 TRP C 2 55 HIS N 70.00 170.00 130.11 117.99 148.83 . . 0 "[ . 1 . 2]"
201 . 2 55 HIS N 2 55 HIS CA 2 55 HIS C 2 56 CYS N 70.00 170.00 136.73 128.77 141.67 . . 0 "[ . 1 . 2]"
202 . 2 56 CYS N 2 56 CYS CA 2 56 CYS C 2 57 ILE N 70.00 170.00 146.80 147.07 144.46 . . 0 "[ . 1 . 2]"
203 . 2 57 ILE N 2 57 ILE CA 2 57 ILE C 2 58 VAL N 70.00 170.00 144.29 142.00 141.80 . . 0 "[ . 1 . 2]"
204 . 2 58 VAL N 2 58 VAL CA 2 58 VAL C 2 59 GLY N 70.00 170.00 135.92 132.02 142.17 . . 0 "[ . 1 . 2]"
205 . 2 63 GLY N 2 63 GLY CA 2 63 GLY C 2 64 SER N 70.00 170.00 138.07 131.65 147.72 . . 0 "[ . 1 . 2]"
206 . 2 64 SER N 2 64 SER CA 2 64 SER C 2 65 TYR N 70.00 170.00 150.15 137.32 167.84 . . 0 "[ . 1 . 2]"
207 . 2 65 TYR N 2 65 TYR CA 2 65 TYR C 2 66 VAL N 70.00 170.00 132.54 117.15 145.78 . . 0 "[ . 1 . 2]"
208 . 2 66 VAL N 2 66 VAL CA 2 66 VAL C 2 67 THR N 70.00 170.00 165.09 168.11 167.19 0.14 16 0 "[ . 1 . 2]"
209 . 2 72 HIS N 2 72 HIS CA 2 72 HIS C 2 73 PHE N 70.00 170.00 69.44 68.79 70.03 1.21 3 0 "[ . 1 . 2]"
210 . 2 73 PHE N 2 73 PHE CA 2 73 PHE C 2 74 ILE N 70.00 170.00 137.78 131.91 129.40 . . 0 "[ . 1 . 2]"
211 . 2 74 ILE N 2 74 ILE CA 2 74 ILE C 2 75 TYR N 70.00 170.00 138.60 142.25 141.72 . . 0 "[ . 1 . 2]"
212 . 2 75 TYR N 2 75 TYR CA 2 75 TYR C 2 76 PHE N 70.00 170.00 137.20 139.59 139.14 . . 0 "[ . 1 . 2]"
213 . 2 76 PHE N 2 76 PHE CA 2 76 PHE C 2 77 TYR N 70.00 170.00 140.21 140.00 139.07 . . 0 "[ . 1 . 2]"
214 . 2 77 TYR N 2 77 TYR CA 2 77 TYR C 2 78 LEU N 70.00 170.00 147.80 148.98 148.81 . . 0 "[ . 1 . 2]"
215 . 2 78 LEU N 2 78 LEU CA 2 78 LEU C 2 79 GLY N 70.00 170.00 139.88 131.57 145.68 . . 0 "[ . 1 . 2]"
216 . 2 81 VAL N 2 81 VAL CA 2 81 VAL C 2 82 ALA N 70.00 170.00 134.73 134.81 133.85 . . 0 "[ . 1 . 2]"
217 . 2 82 ALA N 2 82 ALA CA 2 82 ALA C 2 83 ILE N 70.00 170.00 136.30 125.62 143.52 . . 0 "[ . 1 . 2]"
218 . 2 83 ILE N 2 83 ILE CA 2 83 ILE C 2 84 LEU N 70.00 170.00 139.97 133.80 143.96 . . 0 "[ . 1 . 2]"
219 . 2 84 LEU N 2 84 LEU CA 2 84 LEU C 2 85 LEU N 70.00 170.00 142.19 145.29 144.36 . . 0 "[ . 1 . 2]"
220 . 2 85 LEU N 2 85 LEU CA 2 85 LEU C 2 86 PHE N 70.00 170.00 142.27 140.24 138.73 . . 0 "[ . 1 . 2]"
221 . 2 87 LYS N 2 87 LYS CA 2 87 LYS C 2 88 SER N 70.00 170.00 162.67 170.00 164.34 1.07 8 0 "[ . 1 . 2]"
222 . 4 2 LYS N 4 2 LYS CA 4 2 LYS C 4 3 ASP N 70.00 170.00 135.59 133.38 132.60 . . 0 "[ . 1 . 2]"
223 . 4 3 ASP N 4 3 ASP CA 4 3 ASP C 4 4 THR N 70.00 170.00 119.10 125.56 123.80 . . 0 "[ . 1 . 2]"
224 . 4 4 THR N 4 4 THR CA 4 4 THR C 4 5 GLY N 70.00 170.00 144.32 142.33 141.00 . . 0 "[ . 1 . 2]"
225 . 4 5 GLY N 4 5 GLY CA 4 5 GLY C 4 6 ILE N 70.00 170.00 128.02 117.66 135.73 . . 0 "[ . 1 . 2]"
226 . 4 6 ILE N 4 6 ILE CA 4 6 ILE C 4 7 GLN N 70.00 170.00 149.24 134.44 170.65 0.65 16 0 "[ . 1 . 2]"
227 . 4 7 GLN N 4 7 GLN CA 4 7 GLN C 4 8 VAL N 70.00 170.00 94.05 100.51 90.34 0.52 20 0 "[ . 1 . 2]"
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