NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520738 |
2xv9   |
6333 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2xv9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 194
_TA_constraint_stats_list.Viol_count 258
_TA_constraint_stats_list.Viol_total 35531.88
_TA_constraint_stats_list.Viol_max 23.46
_TA_constraint_stats_list.Viol_rms 2.21
_TA_constraint_stats_list.Viol_average_all_restraints 0.46
_TA_constraint_stats_list.Viol_average_violations_only 6.89
_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 9 THR C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -90.00 -36.54 -68.66 -65.99 -70.38 11.37 4 1 "[ +. 1 . 2]"
2 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 GLU N -70.00 -4.06 -35.71 -68.42 -20.50 . . 0 "[ . 1 . 2]"
3 . 1 10 LEU C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -90.00 -33.30 -57.36 -50.92 -56.04 . . 0 "[ . 1 . 2]"
4 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 SER N -60.00 -15.32 -44.85 -41.45 -43.24 . . 0 "[ . 1 . 2]"
5 . 1 11 GLU C 1 12 SER N 1 12 SER CA 1 12 SER C -90.00 -38.76 -55.16 -56.50 -57.13 . . 0 "[ . 1 . 2]"
6 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 SER N -70.00 -7.86 -21.61 -73.31 -7.10 3.31 2 0 "[ . 1 . 2]"
7 . 1 12 SER C 1 13 SER N 1 13 SER CA 1 13 SER C -90.00 -41.32 -98.16 -79.31 -98.04 10.49 7 19 "[* ****+****-********]"
8 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LEU N -70.00 -2.86 -19.03 1.24 -14.63 4.10 2 0 "[ . 1 . 2]"
9 . 1 22 SER C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -90.00 -28.86 -55.20 -58.08 -51.84 . . 0 "[ . 1 . 2]"
10 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 GLU N -70.00 -5.00 -47.30 -47.51 -47.82 . . 0 "[ . 1 . 2]"
11 . 1 23 GLN C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -90.00 -38.30 -57.70 -56.68 -57.00 . . 0 "[ . 1 . 2]"
12 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 GLN N -60.00 -26.00 -36.10 -35.73 -36.13 . . 0 "[ . 1 . 2]"
13 . 1 24 GLU C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -90.00 -40.16 -72.66 -75.18 -69.09 . . 0 "[ . 1 . 2]"
14 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 LYS N -70.00 -18.84 -44.98 -47.61 -48.29 . . 0 "[ . 1 . 2]"
15 . 1 25 GLN C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -90.00 -39.48 -57.33 -69.09 -51.33 . . 0 "[ . 1 . 2]"
16 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 ASP N -70.00 -17.12 -48.76 -49.49 -50.48 . . 0 "[ . 1 . 2]"
17 . 1 26 LYS C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -80.00 -48.92 -65.62 -68.63 -62.55 . . 0 "[ . 1 . 2]"
18 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 GLU N -70.00 -19.02 -30.10 -36.75 -24.39 . . 0 "[ . 1 . 2]"
19 . 1 27 ASP C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -90.00 -39.88 -63.56 -73.49 -59.04 . . 0 "[ . 1 . 2]"
20 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 LEU N -70.00 -18.40 -52.65 -57.49 -43.14 . . 0 "[ . 1 . 2]"
21 . 1 28 GLU C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -80.00 -38.02 -62.66 -66.65 -58.11 . . 0 "[ . 1 . 2]"
22 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 LEU N -70.00 -19.10 -42.47 -46.29 -48.96 . . 0 "[ . 1 . 2]"
23 . 1 29 LEU C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -90.00 -39.42 -60.12 -66.96 -49.80 . . 0 "[ . 1 . 2]"
24 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 LYS N -70.00 -10.94 -39.88 -40.44 -41.03 . . 0 "[ . 1 . 2]"
25 . 1 30 LEU C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -90.00 -39.22 -64.08 -68.17 -59.95 . . 0 "[ . 1 . 2]"
26 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 MET N -70.00 -18.82 -43.56 -45.68 -47.47 . . 0 "[ . 1 . 2]"
27 . 1 31 LYS C 1 32 MET N 1 32 MET CA 1 32 MET C -90.00 -39.64 -59.20 -60.45 -62.33 . . 0 "[ . 1 . 2]"
28 . 1 32 MET N 1 32 MET CA 1 32 MET C 1 33 LYS N -70.00 -7.14 -53.44 -56.11 -47.87 . . 0 "[ . 1 . 2]"
29 . 1 32 MET C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -90.00 -39.02 -59.53 -62.45 -57.63 . . 0 "[ . 1 . 2]"
30 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 LYS N -70.00 -18.02 -40.01 -42.05 -37.18 . . 0 "[ . 1 . 2]"
31 . 1 33 LYS C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -90.00 -39.28 -70.68 -71.16 -72.09 . . 0 "[ . 1 . 2]"
32 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 ASP N -60.00 -13.58 -33.33 -49.85 -19.28 . . 0 "[ . 1 . 2]"
33 . 1 38 ALA C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -90.00 -29.18 -55.04 -60.60 -50.78 . . 0 "[ . 1 . 2]"
34 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 LYS N -70.00 -9.36 -35.93 -38.27 -33.16 . . 0 "[ . 1 . 2]"
35 . 1 39 LYS C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -90.00 -38.64 -60.19 -60.57 -62.03 . . 0 "[ . 1 . 2]"
36 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 GLU N -70.00 -12.44 -19.99 -26.85 -13.33 . . 0 "[ . 1 . 2]"
37 . 1 40 LYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -90.00 -39.84 -88.11 -91.51 -81.74 1.51 17 0 "[ . 1 . 2]"
38 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 LEU N -60.00 -24.80 -25.80 -29.21 -23.55 1.25 10 0 "[ . 1 . 2]"
39 . 1 41 GLU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -90.00 -39.90 -75.07 -74.24 -76.21 . . 0 "[ . 1 . 2]"
40 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 GLU N -60.00 -11.68 -42.90 -46.27 -40.37 . . 0 "[ . 1 . 2]"
41 . 1 42 LEU C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -80.00 -47.16 -61.12 -53.00 -54.67 . . 0 "[ . 1 . 2]"
42 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ALA N -70.00 -19.34 -20.70 -29.21 -15.37 3.97 17 0 "[ . 1 . 2]"
43 . 1 43 GLU C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -80.00 -49.42 -90.20 -90.14 -90.30 12.33 11 20 [**********+********-]
44 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 LYS N -70.00 -19.02 -40.23 -43.29 -36.51 . . 0 "[ . 1 . 2]"
45 . 1 44 ALA C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -90.00 -39.80 -63.02 -60.55 -61.41 . . 0 "[ . 1 . 2]"
46 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 ILE N -60.00 -19.66 -49.44 -57.63 -42.17 . . 0 "[ . 1 . 2]"
47 . 1 45 LYS C 1 46 ILE N 1 46 ILE CA 1 46 ILE C -80.00 -43.08 -62.72 -71.08 -56.66 . . 0 "[ . 1 . 2]"
48 . 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1 47 LEU N -70.00 -15.12 -44.73 -50.25 -38.50 . . 0 "[ . 1 . 2]"
49 . 1 46 ILE C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -90.00 -39.14 -64.03 -64.57 -64.96 . . 0 "[ . 1 . 2]"
50 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 HIS N -60.00 -27.74 -33.37 -33.67 -34.55 . . 0 "[ . 1 . 2]"
51 . 1 47 LEU C 1 48 HIS N 1 48 HIS CA 1 48 HIS C -90.00 -38.50 -65.22 -68.80 -60.96 . . 0 "[ . 1 . 2]"
52 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 TYR N -70.00 -16.02 -49.10 -49.46 -50.33 . . 0 "[ . 1 . 2]"
53 . 1 48 HIS C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -90.00 -40.18 -58.95 -67.62 -53.92 . . 0 "[ . 1 . 2]"
54 . 1 49 TYR N 1 49 TYR CA 1 49 TYR C 1 50 TYR N -60.00 -13.76 -42.65 -34.70 -39.09 . . 0 "[ . 1 . 2]"
55 . 1 49 TYR C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -80.00 -44.18 -58.26 -68.06 -51.64 . . 0 "[ . 1 . 2]"
56 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 ASP N -70.00 -16.42 -47.30 -48.65 -50.92 . . 0 "[ . 1 . 2]"
57 . 1 50 TYR C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -90.00 -36.48 -75.48 -81.25 -70.62 . . 0 "[ . 1 . 2]"
58 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 GLU N -70.00 -6.70 -18.33 -19.63 -20.00 . . 0 "[ . 1 . 2]"
59 . 1 51 ASP C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -120.00 -36.80 -92.44 -92.04 -93.17 . . 0 "[ . 1 . 2]"
60 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LEU N -40.00 14.18 6.43 -9.29 14.33 0.15 13 0 "[ . 1 . 2]"
61 . 1 55 GLY C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -90.00 -35.14 -70.66 -74.72 -77.33 . . 0 "[ . 1 . 2]"
62 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 ALA N -70.00 -5.94 -29.39 -38.36 -22.13 . . 0 "[ . 1 . 2]"
63 . 1 56 ASP C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -90.00 -28.50 -60.34 -62.73 -57.05 . . 0 "[ . 1 . 2]"
64 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 LYS N -70.00 -14.62 -46.66 -47.66 -47.99 . . 0 "[ . 1 . 2]"
65 . 1 57 ALA C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -80.00 -49.90 -62.20 -59.37 -61.32 . . 0 "[ . 1 . 2]"
66 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 LYS N -60.00 -29.90 -52.74 -57.59 -45.34 . . 0 "[ . 1 . 2]"
67 . 1 58 LYS C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -90.00 -39.54 -52.81 -55.52 -48.69 . . 0 "[ . 1 . 2]"
68 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 GLU N -70.00 -17.10 -46.74 -45.31 -45.88 . . 0 "[ . 1 . 2]"
69 . 1 59 LYS C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -80.00 -49.32 -66.91 -70.74 -64.04 . . 0 "[ . 1 . 2]"
70 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 ALA N -70.00 -16.30 -47.97 -44.04 -45.88 . . 0 "[ . 1 . 2]"
71 . 1 60 GLU C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -80.00 -49.24 -60.21 -61.45 -58.93 . . 0 "[ . 1 . 2]"
72 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 THR N -70.00 -6.38 -50.96 -50.66 -50.94 . . 0 "[ . 1 . 2]"
73 . 1 61 ALA C 1 62 THR N 1 62 THR CA 1 62 THR C -90.00 -33.50 -49.49 -47.08 -47.72 . . 0 "[ . 1 . 2]"
74 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 GLU N -70.00 -19.76 -46.46 -50.15 -42.58 . . 0 "[ . 1 . 2]"
75 . 1 62 THR C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -90.00 -39.04 -66.46 -64.09 -64.51 . . 0 "[ . 1 . 2]"
76 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 HIS N -60.00 -23.16 -29.40 -31.90 -32.15 0.30 10 0 "[ . 1 . 2]"
77 . 1 63 GLU C 1 64 HIS N 1 64 HIS CA 1 64 HIS C -80.00 -49.14 -77.34 -77.74 -79.05 0.44 1 0 "[ . 1 . 2]"
78 . 1 64 HIS N 1 64 HIS CA 1 64 HIS C 1 65 LEU N -70.00 -18.68 -46.92 -51.71 -35.55 . . 0 "[ . 1 . 2]"
79 . 1 64 HIS C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -90.00 -39.56 -59.62 -57.74 -58.13 . . 0 "[ . 1 . 2]"
80 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 LYS N -70.00 -15.18 -32.83 -38.33 -27.58 . . 0 "[ . 1 . 2]"
81 . 1 65 LEU C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -80.00 -46.16 -60.88 -55.92 -57.40 . . 0 "[ . 1 . 2]"
82 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 GLY N -70.00 -11.36 -54.86 -56.39 -56.69 . . 0 "[ . 1 . 2]"
83 . 1 66 LYS C 1 67 GLY N 1 67 GLY CA 1 67 GLY C -90.00 -39.96 -56.28 -60.38 -51.43 . . 0 "[ . 1 . 2]"
84 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 GLY N -60.00 -29.50 -39.14 -38.70 -38.99 . . 0 "[ . 1 . 2]"
85 . 1 67 GLY C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -80.00 -46.32 -58.15 -53.78 -54.46 . . 0 "[ . 1 . 2]"
86 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 CYS N -70.00 -16.08 -51.48 -59.09 -44.06 . . 0 "[ . 1 . 2]"
87 . 1 68 GLY C 1 69 CYS N 1 69 CYS CA 1 69 CYS C -90.00 -39.80 -67.46 -76.76 -59.85 . . 0 "[ . 1 . 2]"
88 . 1 69 CYS N 1 69 CYS CA 1 69 CYS C 1 70 ARG N -60.00 -24.70 -29.68 -24.41 -27.03 2.74 18 0 "[ . 1 . 2]"
89 . 1 69 CYS C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -90.00 -39.92 -62.45 -72.05 -54.11 . . 0 "[ . 1 . 2]"
90 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 GLU N -70.00 -18.72 -37.65 -34.75 -38.16 2.29 4 0 "[ . 1 . 2]"
91 . 1 70 ARG C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -90.00 -39.90 -71.51 -68.75 -70.31 1.36 5 0 "[ . 1 . 2]"
92 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ILE N -70.00 -19.68 -35.23 -45.79 -26.15 . . 0 "[ . 1 . 2]"
93 . 1 71 GLU C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -90.00 -39.36 -70.43 -65.63 -66.29 . . 0 "[ . 1 . 2]"
94 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 LEU N -70.00 -16.88 -50.05 -74.16 -39.47 4.16 5 0 "[ . 1 . 2]"
95 . 1 72 ILE C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -90.00 -38.28 -64.66 -57.52 -61.40 . . 0 "[ . 1 . 2]"
96 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 LYS N -70.00 -5.14 -31.48 -49.59 -18.40 . . 0 "[ . 1 . 2]"
97 . 1 73 LEU C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -80.00 -49.92 -64.78 -65.05 -65.50 2.72 13 0 "[ . 1 . 2]"
98 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 HIS N -70.00 -18.66 -25.91 -80.78 -12.10 10.78 4 9 "[ +** * * ** - * 2]"
99 . 1 74 LYS C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -90.00 -39.82 -89.17 -103.73 -34.92 13.73 14 16 "[*** .*****-* +** ***]"
100 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 VAL N -70.00 -19.44 -51.93 -47.69 -53.56 . . 0 "[ . 1 . 2]"
101 . 1 75 HIS C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -90.00 -34.02 -67.42 -78.43 -54.77 . . 0 "[ . 1 . 2]"
102 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 VAL N -60.00 -12.10 -47.79 -61.11 -35.05 1.11 8 0 "[ . 1 . 2]"
103 . 1 78 GLY C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -90.00 -20.82 -65.73 -90.01 -56.92 0.01 8 0 "[ . 1 . 2]"
104 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 GLU N -70.00 -6.30 -29.03 -27.43 -31.95 0.52 5 0 "[ . 1 . 2]"
105 . 1 79 GLU C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -90.00 -29.60 -50.91 -71.36 -39.14 . . 0 "[ . 1 . 2]"
106 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 LYS N -70.00 -13.70 -66.25 -70.17 -63.14 0.17 5 0 "[ . 1 . 2]"
107 . 1 80 GLU C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -90.00 -39.78 -75.26 -77.49 -78.01 . . 0 "[ . 1 . 2]"
108 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 ALA N -60.00 -18.12 -38.18 -33.79 -34.14 . . 0 "[ . 1 . 2]"
109 . 1 81 LYS C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -90.00 -39.28 -62.79 -62.69 -63.16 . . 0 "[ . 1 . 2]"
110 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 ALA N -70.00 -9.26 -28.46 -34.28 -22.14 . . 0 "[ . 1 . 2]"
111 . 1 82 ALA C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -90.00 -39.78 -69.30 -68.11 -69.34 . . 0 "[ . 1 . 2]"
112 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 GLU N -70.00 -17.66 -39.50 -40.22 -41.18 . . 0 "[ . 1 . 2]"
113 . 1 83 ALA C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -80.00 -49.62 -73.90 -80.43 -65.61 0.43 7 0 "[ . 1 . 2]"
114 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 LEU N -70.00 -19.08 -29.11 -29.58 -31.56 . . 0 "[ . 1 . 2]"
115 . 1 84 GLU C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -90.00 -35.32 -75.92 -83.55 -60.92 . . 0 "[ . 1 . 2]"
116 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 LYS N -70.00 -15.02 -35.29 -36.77 -39.35 . . 0 "[ . 1 . 2]"
117 . 1 85 LEU C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -80.00 -40.82 -65.49 -64.32 -65.50 . . 0 "[ . 1 . 2]"
118 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 ASN N -70.00 -18.54 -48.59 -54.83 -41.00 . . 0 "[ . 1 . 2]"
119 . 1 86 LYS C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -90.00 -37.66 -67.97 -67.39 -68.50 . . 0 "[ . 1 . 2]"
120 . 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 LEU N -70.00 -6.40 -32.57 -39.07 -40.26 . . 0 "[ . 1 . 2]"
121 . 1 87 ASN C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -90.00 -39.88 -58.29 -73.34 -46.65 . . 0 "[ . 1 . 2]"
122 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 LYS N -60.00 -28.40 -50.71 -45.84 -51.47 1.69 6 0 "[ . 1 . 2]"
123 . 1 88 LEU C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -90.00 -30.42 -56.64 -74.34 -44.16 . . 0 "[ . 1 . 2]"
124 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 ASP N -70.00 -14.18 -52.98 -56.67 -58.41 . . 0 "[ . 1 . 2]"
125 . 1 89 LYS C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -80.00 -49.60 -66.08 -71.82 -58.25 . . 0 "[ . 1 . 2]"
126 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 SER N -60.00 9.56 -27.01 -23.81 -27.26 . . 0 "[ . 1 . 2]"
127 . 1 90 ASP C 1 91 SER N 1 91 SER CA 1 91 SER C -110.00 -55.68 -83.52 -81.86 -82.98 14.61 6 1 "[ .+ 1 . 2]"
128 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 GLY N -40.00 25.38 -11.14 -63.46 -3.80 23.46 6 1 "[ .+ 1 . 2]"
129 . 1 94 SER C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -90.00 -30.94 -57.07 -63.97 -48.59 . . 0 "[ . 1 . 2]"
130 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 GLU N -70.00 -9.18 -30.32 -47.29 -8.34 0.84 5 0 "[ . 1 . 2]"
131 . 1 95 LYS C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -90.00 -39.98 -76.23 -80.71 -82.56 . . 0 "[ . 1 . 2]"
132 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 GLU N -60.00 -28.96 -40.69 -40.69 -41.51 . . 0 "[ . 1 . 2]"
133 . 1 96 GLU C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -90.00 -39.84 -60.62 -71.88 -53.40 . . 0 "[ . 1 . 2]"
134 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 LEU N -70.00 -19.08 -37.70 -36.53 -37.50 . . 0 "[ . 1 . 2]"
135 . 1 97 GLU C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -80.00 -46.26 -70.95 -75.84 -65.16 . . 0 "[ . 1 . 2]"
136 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 LYS N -70.00 -18.66 -41.67 -48.46 -31.43 . . 0 "[ . 1 . 2]"
137 . 1 98 LEU C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -90.00 -27.70 -66.11 -62.16 -64.91 . . 0 "[ . 1 . 2]"
138 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 ALA N -70.00 -16.18 -40.80 -51.85 -32.42 . . 0 "[ . 1 . 2]"
139 . 1 99 LYS C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -90.00 -39.36 -86.69 -91.24 -77.39 1.24 16 0 "[ . 1 . 2]"
140 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 LYS N -70.00 -17.20 -40.89 -54.02 -15.41 1.79 3 0 "[ . 1 . 2]"
141 . 1 100 ALA C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -90.00 -39.92 -64.75 -67.29 -69.35 . . 0 "[ . 1 . 2]"
142 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 VAL N -70.00 -19.80 -35.04 -29.98 -46.56 2.27 14 0 "[ . 1 . 2]"
143 . 1 101 LYS C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -80.00 -40.76 -61.53 -73.40 -46.56 . . 0 "[ . 1 . 2]"
144 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 GLU N -70.00 -17.78 -39.67 -45.47 -31.59 . . 0 "[ . 1 . 2]"
145 . 1 102 VAL C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -90.00 -32.78 -66.44 -61.41 -63.53 . . 0 "[ . 1 . 2]"
146 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 GLU N -70.00 -15.54 -31.91 -28.82 -31.71 0.19 8 0 "[ . 1 . 2]"
147 . 1 103 GLU C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -90.00 -36.26 -69.45 -76.03 -79.20 . . 0 "[ . 1 . 2]"
148 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 ALA N -70.00 -15.22 -39.25 -46.89 -26.22 . . 0 "[ . 1 . 2]"
149 . 1 104 GLU C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -90.00 -39.90 -69.55 -79.31 -59.97 . . 0 "[ . 1 . 2]"
150 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 LEU N -60.00 -27.16 -48.43 -42.39 -43.30 . . 0 "[ . 1 . 2]"
151 . 1 105 ALA C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -90.00 -39.70 -69.73 -75.64 -76.96 . . 0 "[ . 1 . 2]"
152 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 HIS N -70.00 -3.50 -11.31 -19.74 -2.43 1.07 1 0 "[ . 1 . 2]"
153 . 1 106 LEU C 1 107 HIS N 1 107 HIS CA 1 107 HIS C -90.00 -37.66 -87.35 -87.30 -88.61 1.99 11 0 "[ . 1 . 2]"
154 . 1 107 HIS N 1 107 HIS CA 1 107 HIS C 1 108 ALA N -70.00 -11.62 -48.51 -48.03 -48.33 . . 0 "[ . 1 . 2]"
155 . 1 107 HIS C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -110.00 -39.80 -64.65 -66.51 -62.61 . . 0 "[ . 1 . 2]"
156 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 VAL N -40.00 11.16 -5.27 -15.97 2.78 . . 0 "[ . 1 . 2]"
157 . 1 111 ASP C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -80.00 -30.02 -54.56 -54.68 -56.19 . . 0 "[ . 1 . 2]"
158 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 GLU N -70.00 -0.28 -51.34 -52.58 -54.03 . . 0 "[ . 1 . 2]"
159 . 1 112 GLU C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -80.00 -31.06 -60.10 -73.37 -52.56 . . 0 "[ . 1 . 2]"
160 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 LYS N -70.00 -19.84 -38.56 -30.09 -32.73 . . 0 "[ . 1 . 2]"
161 . 1 113 GLU C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -90.00 -38.34 -63.06 -69.48 -73.28 . . 0 "[ . 1 . 2]"
162 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 LYS N -70.00 -16.72 -44.59 -40.50 -41.73 . . 0 "[ . 1 . 2]"
163 . 1 114 LYS C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -90.00 -39.52 -72.64 -83.55 -64.68 . . 0 "[ . 1 . 2]"
164 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 GLN N -70.00 -12.84 -14.24 -17.16 -11.64 1.20 11 0 "[ . 1 . 2]"
165 . 1 115 LYS C 1 116 GLN N 1 116 GLN CA 1 116 GLN C -90.00 -35.30 -66.86 -70.22 -63.88 . . 0 "[ . 1 . 2]"
166 . 1 116 GLN N 1 116 GLN CA 1 116 GLN C 1 117 TYR N -70.00 -13.94 -39.22 -40.89 -41.95 . . 0 "[ . 1 . 2]"
167 . 1 116 GLN C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -90.00 -39.60 -72.04 -73.26 -74.33 . . 0 "[ . 1 . 2]"
168 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 ILE N -70.00 -18.38 -32.75 -38.83 -24.84 . . 0 "[ . 1 . 2]"
169 . 1 117 TYR C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -90.00 -39.04 -61.87 -68.48 -56.67 . . 0 "[ . 1 . 2]"
170 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 ALA N -70.00 -19.70 -44.47 -45.41 -46.18 . . 0 "[ . 1 . 2]"
171 . 1 118 ILE C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -90.00 -38.72 -73.35 -82.05 -65.62 . . 0 "[ . 1 . 2]"
172 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 ASP N -70.00 -13.82 -41.59 -44.45 -35.02 . . 0 "[ . 1 . 2]"
173 . 1 119 ALA C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -90.00 -39.86 -74.05 -81.55 -67.73 . . 0 "[ . 1 . 2]"
174 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 PHE N -70.00 -18.74 -58.89 -61.59 -62.58 . . 0 "[ . 1 . 2]"
175 . 1 120 ASP C 1 121 PHE N 1 121 PHE CA 1 121 PHE C -90.00 -31.72 -98.46 -97.73 -98.28 10.98 10 20 [***-*****+**********]
176 . 1 121 PHE N 1 121 PHE CA 1 121 PHE C 1 122 GLY N -70.00 -0.60 -23.46 -25.86 -21.14 . . 0 "[ . 1 . 2]"
177 . 1 121 PHE C 1 122 GLY N 1 122 GLY CA 1 122 GLY C -80.00 -30.00 -46.58 -52.48 -40.94 . . 0 "[ . 1 . 2]"
178 . 1 122 GLY N 1 122 GLY CA 1 122 GLY C 1 123 PRO N -70.00 -30.34 -64.80 -70.33 -57.97 0.33 2 0 "[ . 1 . 2]"
179 . 1 122 GLY C 1 123 PRO N 1 123 PRO CA 1 123 PRO C -80.00 -30.32 -57.52 -64.46 -50.02 . . 0 "[ . 1 . 2]"
180 . 1 123 PRO N 1 123 PRO CA 1 123 PRO C 1 124 ALA N -60.00 -10.20 -36.47 -34.87 -40.57 . . 0 "[ . 1 . 2]"
181 . 1 123 PRO C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -90.00 -39.98 -77.91 -88.39 -67.16 . . 0 "[ . 1 . 2]"
182 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 CYS N -70.00 -16.12 -32.90 -33.47 -34.01 . . 0 "[ . 1 . 2]"
183 . 1 124 ALA C 1 125 CYS N 1 125 CYS CA 1 125 CYS C -90.00 -35.80 -59.51 -67.08 -54.02 . . 0 "[ . 1 . 2]"
184 . 1 125 CYS N 1 125 CYS CA 1 125 CYS C 1 126 LYS N -70.00 -15.16 -29.95 -25.93 -26.96 . . 0 "[ . 1 . 2]"
185 . 1 125 CYS C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -90.00 -37.90 -59.99 -60.02 -61.02 . . 0 "[ . 1 . 2]"
186 . 1 126 LYS N 1 126 LYS CA 1 126 LYS C 1 127 LYS N -70.00 -14.84 -49.43 -57.02 -36.44 . . 0 "[ . 1 . 2]"
187 . 1 126 LYS C 1 127 LYS N 1 127 LYS CA 1 127 LYS C -90.00 -39.86 -66.92 -67.21 -68.04 . . 0 "[ . 1 . 2]"
188 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 ILE N -60.00 -25.32 -30.25 -32.81 -34.29 0.31 17 0 "[ . 1 . 2]"
189 . 1 127 LYS C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -90.00 -39.86 -66.12 -68.54 -70.70 . . 0 "[ . 1 . 2]"
190 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 TYR N -70.00 -19.80 -46.89 -48.31 -48.55 . . 0 "[ . 1 . 2]"
191 . 1 128 ILE C 1 129 TYR N 1 129 TYR CA 1 129 TYR C -90.00 -38.74 -79.42 -85.03 -74.32 . . 0 "[ . 1 . 2]"
192 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 GLY N -60.00 9.42 20.49 23.85 23.27 16.25 10 20 [********-+**********]
193 . 1 129 TYR C 1 130 GLY N 1 130 GLY CA 1 130 GLY C -100.00 -30.88 -18.81 -15.04 -15.86 17.32 4 20 [***+*************-**]
194 . 1 130 GLY N 1 130 GLY CA 1 130 GLY C 1 131 VAL N -70.00 20.54 28.47 32.68 31.76 12.76 2 19 [*+*******1*******-**]
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