NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444323 |
2kgk   |
16822 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kgk
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 167
_TA_constraint_stats_list.Viol_count 229
_TA_constraint_stats_list.Viol_total 1948.17
_TA_constraint_stats_list.Viol_max 3.83
_TA_constraint_stats_list.Viol_rms 0.24
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.57
_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 MET C 1 2 ILE N 1 2 ILE CA 1 2 ILE C -139.00 -74.10 -123.17 -106.16 -111.63 . . 0 "[ . 1 .]"
2 . 1 2 ILE N 1 2 ILE CA 1 2 ILE C 1 3 VAL N 90.40 147.50 122.80 110.21 137.79 . . 0 "[ . 1 .]"
3 . 1 3 VAL C 1 4 SER N 1 4 SER CA 1 4 SER C -117.30 -75.20 -107.03 -96.56 -102.13 0.40 4 0 "[ . 1 .]"
4 . 1 4 SER N 1 4 SER CA 1 4 SER C 1 5 PHE N 105.90 152.80 146.87 150.34 145.81 0.45 11 0 "[ . 1 .]"
5 . 1 4 SER C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -131.80 -87.80 -122.63 -130.77 -132.00 0.65 1 0 "[ . 1 .]"
6 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 MET N 97.80 152.70 133.78 114.51 152.85 0.15 4 0 "[ . 1 .]"
7 . 1 5 PHE C 1 6 MET N 1 6 MET CA 1 6 MET C -146.10 -96.40 -117.34 -106.69 -113.46 0.36 14 0 "[ . 1 .]"
8 . 1 6 MET N 1 6 MET CA 1 6 MET C 1 7 VAL N 89.80 161.30 109.37 89.70 123.69 0.10 9 0 "[ . 1 .]"
9 . 1 6 MET C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -143.00 -96.00 -138.11 -135.85 -138.43 0.66 1 0 "[ . 1 .]"
10 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 ALA N 114.30 145.70 145.99 144.28 143.84 3.05 4 0 "[ . 1 .]"
11 . 1 7 VAL C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -141.90 -77.20 -93.69 -104.12 -76.74 0.46 15 0 "[ . 1 .]"
12 . 1 9 MET C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -115.10 -66.50 -86.34 -109.47 -72.17 . . 0 "[ . 1 .]"
13 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 GLU N 111.90 -158.70 129.60 131.86 131.05 . . 0 "[ . 1 .]"
14 . 1 10 ASP C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -71.80 -51.80 -57.03 -62.84 -50.92 0.88 11 0 "[ . 1 .]"
15 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 ASN N -29.20 -9.20 -26.15 -27.20 -28.79 1.62 8 0 "[ . 1 .]"
16 . 1 11 GLU C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -122.30 -68.70 -113.37 -122.71 -93.76 0.41 5 0 "[ . 1 .]"
17 . 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 ARG N -12.80 35.50 -6.19 -2.54 -5.11 3.83 11 0 "[ . 1 .]"
18 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 ILE N -58.30 -16.90 -45.22 -41.46 -42.08 1.98 6 0 "[ . 1 .]"
19 . 1 26 PRO C 1 27 SER N 1 27 SER CA 1 27 SER C -81.70 -51.40 -75.10 -75.63 -78.91 0.52 5 0 "[ . 1 .]"
20 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 GLU N -47.10 -19.00 -41.05 -48.99 -33.86 1.89 12 0 "[ . 1 .]"
21 . 1 27 SER C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -78.10 -53.00 -62.20 -67.25 -54.83 . . 0 "[ . 1 .]"
22 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 LEU N -52.70 -32.70 -40.18 -32.06 -35.64 2.01 12 0 "[ . 1 .]"
23 . 1 28 GLU C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -78.60 -53.80 -58.69 -57.71 -59.09 1.75 12 0 "[ . 1 .]"
24 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 TYR N -48.90 -28.90 -39.33 -38.82 -41.71 0.46 12 0 "[ . 1 .]"
25 . 1 30 GLN C 1 31 TYR N 1 31 TYR CA 1 31 TYR C -81.40 -57.60 -65.34 -79.32 -57.39 0.21 1 0 "[ . 1 .]"
26 . 1 31 TYR N 1 31 TYR CA 1 31 TYR C 1 32 VAL N -53.30 -31.00 -48.24 -44.45 -47.02 0.68 7 0 "[ . 1 .]"
27 . 1 31 TYR C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -74.10 -54.10 -65.17 -74.16 -58.21 0.06 13 0 "[ . 1 .]"
28 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 LYS N -51.60 -31.60 -43.82 -44.14 -45.39 0.43 15 0 "[ . 1 .]"
29 . 1 32 VAL C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -74.30 -49.20 -61.31 -74.47 -49.28 0.17 13 0 "[ . 1 .]"
30 . 1 33 LYS C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -76.20 -49.10 -71.37 -77.17 -59.59 0.97 15 0 "[ . 1 .]"
31 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 THR N -52.30 -12.80 -24.78 -30.08 -35.22 0.01 11 0 "[ . 1 .]"
32 . 1 34 LYS C 1 35 THR N 1 35 THR CA 1 35 THR C -100.30 -50.80 -84.89 -91.88 -72.96 . . 0 "[ . 1 .]"
33 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 THR N -57.50 -21.70 -31.02 -23.58 -26.09 0.10 6 0 "[ . 1 .]"
34 . 1 35 THR C 1 36 THR N 1 36 THR CA 1 36 THR C -143.10 -50.10 -101.35 -125.95 -79.61 . . 0 "[ . 1 .]"
35 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 MET N -48.40 27.10 -4.64 -3.55 -8.77 . . 0 "[ . 1 .]"
36 . 1 40 PRO C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -134.80 -96.00 -115.35 -121.02 -126.71 . . 0 "[ . 1 .]"
37 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ILE N 92.10 -178.20 113.22 98.31 130.60 . . 0 "[ . 1 .]"
38 . 1 41 LEU C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -134.60 -88.30 -97.45 -88.93 -93.26 0.66 2 0 "[ . 1 .]"
39 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 MET N 103.10 154.00 117.19 102.43 137.48 0.67 2 0 "[ . 1 .]"
40 . 1 42 ILE C 1 43 MET N 1 43 MET CA 1 43 MET C -163.40 -92.30 -123.82 -120.04 -128.00 . . 0 "[ . 1 .]"
41 . 1 43 MET N 1 43 MET CA 1 43 MET C 1 44 GLY N 114.90 -169.30 162.41 165.43 163.56 . . 0 "[ . 1 .]"
42 . 1 44 GLY C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -76.80 -46.20 -57.03 -54.29 -59.31 0.54 13 0 "[ . 1 .]"
43 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 LYS N -57.60 -26.20 -40.91 -58.25 -26.02 0.65 6 0 "[ . 1 .]"
44 . 1 45 ARG C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -81.80 -50.80 -64.55 -79.26 -54.15 . . 0 "[ . 1 .]"
45 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 ASN N -54.00 -15.60 -40.57 -53.90 -23.19 . . 0 "[ . 1 .]"
46 . 1 46 LYS C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -76.20 -54.30 -64.81 -57.47 -62.41 0.09 15 0 "[ . 1 .]"
47 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 TYR N -62.50 -23.50 -44.26 -34.47 -38.81 0.36 11 0 "[ . 1 .]"
48 . 1 47 ASN C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -83.50 -43.00 -62.60 -79.43 -45.69 . . 0 "[ . 1 .]"
49 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 GLU N -57.50 -30.60 -44.16 -57.61 -31.30 0.11 6 0 "[ . 1 .]"
50 . 1 48 TYR C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -71.50 -49.50 -62.61 -72.15 -50.01 0.65 2 0 "[ . 1 .]"
51 . 1 49 GLU C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -80.40 -57.00 -75.34 -80.68 -61.62 0.28 6 0 "[ . 1 .]"
52 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 ILE N -52.10 -27.20 -44.21 -47.98 -51.03 0.27 1 0 "[ . 1 .]"
53 . 1 50 ALA C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -94.40 -46.60 -66.90 -67.11 -70.33 . . 0 "[ . 1 .]"
54 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 GLY N -56.30 -24.90 -46.83 -51.73 -53.86 0.08 14 0 "[ . 1 .]"
55 . 1 59 ARG C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -174.00 -50.40 -99.85 -132.48 -78.65 . . 0 "[ . 1 .]"
56 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 ILE N 109.40 146.00 120.48 113.81 109.04 0.36 1 0 "[ . 1 .]"
57 . 1 60 ASN C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -133.50 -72.70 -117.22 -131.70 -105.14 . . 0 "[ . 1 .]"
58 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 ILE N 111.80 137.10 126.57 129.99 129.11 0.28 5 0 "[ . 1 .]"
59 . 1 61 ILE C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -153.20 -78.80 -105.95 -111.62 -113.64 . . 0 "[ . 1 .]"
60 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 VAL N 103.90 141.30 137.87 137.39 134.72 0.41 5 0 "[ . 1 .]"
61 . 1 62 ILE C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -148.90 -79.80 -93.88 -104.86 -85.87 . . 0 "[ . 1 .]"
62 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 THR N 108.60 130.40 123.02 114.94 130.88 0.48 13 0 "[ . 1 .]"
63 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 ARG N 98.20 144.10 137.25 122.21 144.93 0.83 4 0 "[ . 1 .]"
64 . 1 64 THR C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -118.50 -63.10 -94.41 -99.31 -101.28 . . 0 "[ . 1 .]"
65 . 1 67 GLU C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 68.00 110.00 102.59 92.07 110.24 0.24 9 0 "[ . 1 .]"
66 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 TYR N -29.00 11.60 4.81 5.76 5.04 0.17 12 0 "[ . 1 .]"
67 . 1 68 GLY C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -119.30 -57.30 -82.91 -116.18 -60.88 . . 0 "[ . 1 .]"
68 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 HIS N 106.40 151.60 138.49 116.25 145.45 . . 0 "[ . 1 .]"
69 . 1 69 TYR C 1 70 HIS N 1 70 HIS CA 1 70 HIS C -154.10 -42.80 -149.42 -139.83 -146.73 . . 0 "[ . 1 .]"
70 . 1 70 HIS N 1 70 HIS CA 1 70 HIS C 1 71 VAL N 116.50 143.30 133.37 123.57 143.26 . . 0 "[ . 1 .]"
71 . 1 70 HIS C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -164.90 -87.30 -119.70 -100.09 -105.16 . . 0 "[ . 1 .]"
72 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 GLU N 103.80 172.30 112.53 104.49 120.29 . . 0 "[ . 1 .]"
73 . 1 71 VAL C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -135.10 -33.00 -66.32 -67.79 -68.52 . . 0 "[ . 1 .]"
74 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 GLY N 96.70 178.40 119.32 102.07 132.64 . . 0 "[ . 1 .]"
75 . 1 73 GLY C 1 74 CYS N 1 74 CYS CA 1 74 CYS C -147.30 -71.70 -135.53 -147.01 -100.70 . . 0 "[ . 1 .]"
76 . 1 74 CYS N 1 74 CYS CA 1 74 CYS C 1 75 GLU N 123.10 -173.80 155.99 145.25 174.25 . . 0 "[ . 1 .]"
77 . 1 74 CYS C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -158.70 -87.90 -90.82 -108.35 -87.40 0.50 3 0 "[ . 1 .]"
78 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 VAL N 122.40 -179.00 140.91 126.67 155.57 . . 0 "[ . 1 .]"
79 . 1 75 GLU C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -162.00 -75.20 -94.35 -89.83 -95.16 . . 0 "[ . 1 .]"
80 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 ALA N 112.30 162.60 142.63 138.16 134.38 . . 0 "[ . 1 .]"
81 . 1 76 VAL C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -168.30 -105.50 -135.87 -130.26 -130.42 . . 0 "[ . 1 .]"
82 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 HIS N 132.10 178.20 164.00 169.18 163.74 0.18 2 0 "[ . 1 .]"
83 . 1 77 ALA C 1 78 HIS N 1 78 HIS CA 1 78 HIS C -144.40 -76.70 -86.05 -96.43 -76.47 0.23 6 0 "[ . 1 .]"
84 . 1 78 HIS C 1 79 SER N 1 79 SER CA 1 79 SER C -143.10 -53.80 -60.69 -67.93 -54.27 . . 0 "[ . 1 .]"
85 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 VAL N 141.00 -174.10 -175.68 -178.90 -173.02 1.08 5 0 "[ . 1 .]"
86 . 1 79 SER C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -78.80 -52.10 -54.92 -56.80 -57.37 0.95 5 0 "[ . 1 .]"
87 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 GLU N -50.70 -21.50 -29.36 -54.01 -21.18 3.31 15 0 "[ . 1 .]"
88 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 GLU N -60.20 -24.30 -44.19 -56.99 -32.24 . . 0 "[ . 1 .]"
89 . 1 81 GLU C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -79.10 -57.30 -76.22 -79.73 -66.25 0.63 13 0 "[ . 1 .]"
90 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 VAL N -55.20 -26.70 -41.93 -41.25 -43.02 . . 0 "[ . 1 .]"
91 . 1 82 GLU C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -73.90 -53.90 -59.54 -68.48 -53.81 0.09 6 0 "[ . 1 .]"
92 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 PHE N -56.20 -31.10 -35.05 -33.78 -34.05 0.04 5 0 "[ . 1 .]"
93 . 1 83 VAL C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -73.50 -51.00 -53.99 -57.09 -50.94 0.06 9 0 "[ . 1 .]"
94 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 GLU N -54.30 -21.10 -52.59 -47.41 -52.44 0.86 1 0 "[ . 1 .]"
95 . 1 84 PHE C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -75.30 -53.50 -71.99 -72.68 -73.16 . . 0 "[ . 1 .]"
96 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 LEU N -58.40 -26.00 -43.46 -55.66 -36.32 . . 0 "[ . 1 .]"
97 . 1 85 GLU C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -83.30 -48.70 -52.42 -49.34 -50.86 0.48 4 0 "[ . 1 .]"
98 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 CYS N -49.70 -24.30 -27.61 -32.96 -23.87 0.43 12 0 "[ . 1 .]"
99 . 1 86 LEU C 1 87 CYS N 1 87 CYS CA 1 87 CYS C -109.50 -44.90 -60.57 -51.87 -54.55 . . 0 "[ . 1 .]"
100 . 1 87 CYS N 1 87 CYS CA 1 87 CYS C 1 88 LYS N -54.80 11.80 -43.23 -45.38 -47.80 . . 0 "[ . 1 .]"
101 . 1 92 GLU C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -172.50 -105.10 -125.87 -137.43 -115.51 . . 0 "[ . 1 .]"
102 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 PHE N 128.60 -172.10 145.84 147.40 145.53 . . 0 "[ . 1 .]"
103 . 1 93 ILE C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -162.30 -75.80 -110.50 -124.06 -100.26 . . 0 "[ . 1 .]"
104 . 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 ILE N 111.30 149.50 130.42 140.68 136.36 . . 0 "[ . 1 .]"
105 . 1 94 PHE C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -125.00 -56.10 -115.17 -122.10 -122.15 0.31 3 0 "[ . 1 .]"
106 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 PHE N 84.60 138.70 127.36 111.21 139.21 0.51 13 0 "[ . 1 .]"
107 . 1 98 GLY C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -70.50 -46.80 -64.81 -61.13 -64.21 0.41 5 0 "[ . 1 .]"
108 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 GLN N -62.50 -25.30 -60.77 -63.20 -51.45 0.70 13 0 "[ . 1 .]"
109 . 1 99 ALA C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -80.80 -50.80 -58.84 -58.54 -59.81 . . 0 "[ . 1 .]"
110 . 1 100 GLN N 1 100 GLN CA 1 100 GLN C 1 101 ILE N -57.40 -14.20 -41.30 -51.67 -33.01 . . 0 "[ . 1 .]"
111 . 1 100 GLN C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -76.90 -54.50 -64.12 -56.34 -57.81 . . 0 "[ . 1 .]"
112 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 TYR N -52.50 -31.70 -40.68 -52.80 -31.40 0.30 2 0 "[ . 1 .]"
113 . 1 101 ILE C 1 102 TYR N 1 102 TYR CA 1 102 TYR C -81.10 -49.80 -60.29 -71.07 -50.14 . . 0 "[ . 1 .]"
114 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C 1 103 ASP N -50.40 -29.30 -41.67 -51.83 -28.69 1.43 9 0 "[ . 1 .]"
115 . 1 102 TYR C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -81.70 -48.20 -65.45 -48.78 -54.94 . . 0 "[ . 1 .]"
116 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 LEU N -55.50 -28.20 -46.49 -49.79 -54.24 0.85 13 0 "[ . 1 .]"
117 . 1 103 ASP C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -95.90 -43.30 -67.78 -73.54 -50.52 . . 0 "[ . 1 .]"
118 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 PHE N -48.40 -19.10 -24.22 -18.98 -20.11 0.68 9 0 "[ . 1 .]"
119 . 1 108 TYR C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -138.70 -54.80 -83.49 -93.68 -98.64 0.99 9 0 "[ . 1 .]"
120 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 ASP N 110.00 179.80 149.59 116.31 170.11 . . 0 "[ . 1 .]"
121 . 1 110 ASP C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -170.90 -100.40 -113.47 -119.78 -127.14 0.67 5 0 "[ . 1 .]"
122 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 LEU N 122.50 175.50 132.06 131.64 129.83 . . 0 "[ . 1 .]"
123 . 1 111 LYS C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -154.10 -97.70 -122.44 -133.35 -109.68 . . 0 "[ . 1 .]"
124 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 TYR N 110.30 156.10 124.22 112.86 152.36 . . 0 "[ . 1 .]"
125 . 1 112 LEU C 1 113 TYR N 1 113 TYR CA 1 113 TYR C -126.30 -91.20 -118.90 -120.37 -122.16 0.13 6 0 "[ . 1 .]"
126 . 1 113 TYR C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -158.40 -66.00 -127.40 -127.17 -130.58 . . 0 "[ . 1 .]"
127 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 THR N 110.90 141.00 133.75 138.63 135.55 0.64 14 0 "[ . 1 .]"
128 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 ILE N 97.60 146.30 130.07 131.52 127.81 0.57 12 0 "[ . 1 .]"
129 . 1 116 LYS C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -143.50 -64.30 -115.16 -135.52 -94.03 . . 0 "[ . 1 .]"
130 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 HIS N 105.50 145.70 133.45 124.15 143.98 . . 0 "[ . 1 .]"
131 . 1 118 HIS C 1 119 HIS N 1 119 HIS CA 1 119 HIS C -179.20 -62.80 -163.09 -163.29 -165.88 0.02 11 0 "[ . 1 .]"
132 . 1 119 HIS N 1 119 HIS CA 1 119 HIS C 1 120 ALA N 114.00 165.80 117.96 112.50 142.90 1.50 2 0 "[ . 1 .]"
133 . 1 119 HIS C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -168.20 -73.40 -164.69 -170.02 -129.53 1.82 2 0 "[ . 1 .]"
134 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 PHE N 107.30 156.40 143.83 140.65 137.87 0.76 8 0 "[ . 1 .]"
135 . 1 120 ALA C 1 121 PHE N 1 121 PHE CA 1 121 PHE C -157.70 -88.30 -145.05 -158.20 -116.50 0.50 15 0 "[ . 1 .]"
136 . 1 121 PHE N 1 121 PHE CA 1 121 PHE C 1 122 GLU N 101.80 153.30 133.98 132.21 130.45 0.47 11 0 "[ . 1 .]"
137 . 1 124 ASP C 1 125 THR N 1 125 THR CA 1 125 THR C -141.50 -76.20 -116.43 -141.63 -79.76 0.13 9 0 "[ . 1 .]"
138 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 PHE N 92.80 163.70 109.80 92.31 132.71 0.49 12 0 "[ . 1 .]"
139 . 1 125 THR C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -124.20 -101.60 -121.12 -125.70 -114.65 1.50 6 0 "[ . 1 .]"
140 . 1 126 PHE C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -165.10 -92.30 -140.11 -165.13 -165.47 1.39 9 0 "[ . 1 .]"
141 . 1 127 PHE N 1 127 PHE CA 1 127 PHE C 1 128 PRO N 92.10 174.20 128.38 121.40 95.93 . . 0 "[ . 1 .]"
142 . 1 132 MET C 1 133 THR N 1 133 THR CA 1 133 THR C -78.90 -45.50 -59.38 -79.08 -45.74 0.18 2 0 "[ . 1 .]"
143 . 1 134 ASN C 1 135 TRP N 1 135 TRP CA 1 135 TRP C -140.70 -57.80 -97.75 -91.76 -105.90 . . 0 "[ . 1 .]"
144 . 1 135 TRP N 1 135 TRP CA 1 135 TRP C 1 136 LYS N 95.00 166.50 158.20 131.63 167.00 0.50 13 0 "[ . 1 .]"
145 . 1 135 TRP C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -160.30 -65.70 -110.28 -107.54 -112.86 . . 0 "[ . 1 .]"
146 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 GLU N 104.30 154.60 129.31 117.79 114.06 . . 0 "[ . 1 .]"
147 . 1 136 LYS C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -131.50 -43.20 -86.26 -107.07 -69.60 . . 0 "[ . 1 .]"
148 . 1 138 VAL C 1 139 PHE N 1 139 PHE CA 1 139 PHE C 176.20 -51.40 -157.69 -146.29 -152.32 . . 0 "[ . 1 .]"
149 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 VAL N 112.40 154.20 150.78 148.23 147.43 0.57 15 0 "[ . 1 .]"
150 . 1 139 PHE C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -154.90 -79.00 -143.79 -152.12 -134.12 . . 0 "[ . 1 .]"
151 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 GLU N 113.60 159.80 129.07 113.22 144.69 0.38 15 0 "[ . 1 .]"
152 . 1 140 VAL C 1 141 GLU N 1 141 GLU CA 1 141 GLU C -179.10 -73.20 -121.20 -142.43 -100.50 . . 0 "[ . 1 .]"
153 . 1 141 GLU N 1 141 GLU CA 1 141 GLU C 1 142 LYS N 101.20 162.70 149.03 122.59 161.03 . . 0 "[ . 1 .]"
154 . 1 146 ASP C 1 147 GLU N 1 147 GLU CA 1 147 GLU C -84.10 -45.70 -69.16 -62.91 -69.21 . . 0 "[ . 1 .]"
155 . 1 147 GLU N 1 147 GLU CA 1 147 GLU C 1 148 LYS N -49.50 -11.20 -42.89 -49.85 -33.54 0.35 6 0 "[ . 1 .]"
156 . 1 147 GLU C 1 148 LYS N 1 148 LYS CA 1 148 LYS C -123.80 -48.80 -80.78 -75.14 -81.66 . . 0 "[ . 1 .]"
157 . 1 148 LYS N 1 148 LYS CA 1 148 LYS C 1 149 ASN N -54.20 19.50 -14.58 -43.40 15.79 . . 0 "[ . 1 .]"
158 . 1 153 TYR C 1 154 TYR N 1 154 TYR CA 1 154 TYR C -162.90 -111.10 -136.55 -135.98 -138.52 . . 0 "[ . 1 .]"
159 . 1 154 TYR N 1 154 TYR CA 1 154 TYR C 1 155 TYR N 129.80 172.10 144.68 143.52 143.07 . . 0 "[ . 1 .]"
160 . 1 155 TYR C 1 156 HIS N 1 156 HIS CA 1 156 HIS C -155.50 -84.50 -123.17 -117.75 -122.28 . . 0 "[ . 1 .]"
161 . 1 156 HIS N 1 156 HIS CA 1 156 HIS C 1 157 VAL N 119.00 173.10 141.96 155.03 150.67 . . 0 "[ . 1 .]"
162 . 1 156 HIS C 1 157 VAL N 1 157 VAL CA 1 157 VAL C -136.40 -101.70 -116.64 -132.33 -104.15 . . 0 "[ . 1 .]"
163 . 1 157 VAL N 1 157 VAL CA 1 157 VAL C 1 158 TYR N 112.30 147.20 116.81 110.36 136.19 1.94 5 0 "[ . 1 .]"
164 . 1 157 VAL C 1 158 TYR N 1 158 TYR CA 1 158 TYR C -144.40 -100.60 -117.14 -132.66 -102.61 . . 0 "[ . 1 .]"
165 . 1 158 TYR N 1 158 TYR CA 1 158 TYR C 1 159 GLU N 116.00 165.20 146.69 150.69 143.59 . . 0 "[ . 1 .]"
166 . 1 158 TYR C 1 159 GLU N 1 159 GLU CA 1 159 GLU C -155.20 -112.10 -142.23 -155.18 -126.61 . . 0 "[ . 1 .]"
167 . 1 159 GLU N 1 159 GLU CA 1 159 GLU C 1 160 LYS N 92.40 156.70 151.62 153.23 151.11 0.14 15 0 "[ . 1 .]"
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