NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406306 |
1xjs   |
6362 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1xjs
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 197
_TA_constraint_stats_list.Viol_count 180
_TA_constraint_stats_list.Viol_total 2943.11
_TA_constraint_stats_list.Viol_max 7.99
_TA_constraint_stats_list.Viol_rms 0.64
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 1.64
_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 7 LEU C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -85.00 -30.00 -56.39 -71.46 -49.12 . . 0 "[ . 1]"
2 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 THR N -75.00 -20.00 -47.76 -47.53 -52.15 . . 0 "[ . 1]"
3 . 1 8 ASP C 1 9 THR N 1 9 THR CA 1 9 THR C -85.00 -30.00 -69.39 -62.36 -69.56 . . 0 "[ . 1]"
4 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 LEU N -75.00 -20.00 -32.73 -45.88 -23.69 . . 0 "[ . 1]"
5 . 1 9 THR C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -85.00 -30.00 -72.58 -78.32 -68.95 . . 0 "[ . 1]"
6 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 TYR N -75.00 -20.00 -52.98 -60.72 -30.48 . . 0 "[ . 1]"
7 . 1 10 LEU C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -85.00 -30.00 -67.75 -63.73 -67.53 . . 0 "[ . 1]"
8 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 ARG N -75.00 -20.00 -32.04 -49.63 -19.72 0.28 8 0 "[ . 1]"
9 . 1 11 TYR C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -85.00 -30.00 -64.16 -74.65 -51.42 . . 0 "[ . 1]"
10 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 GLN N -75.00 -20.00 -37.26 -30.43 -33.79 . . 0 "[ . 1]"
11 . 1 12 ARG C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -85.00 -30.00 -73.16 -78.50 -67.91 . . 0 "[ . 1]"
12 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 VAL N -75.00 -20.00 -41.48 -49.98 -36.86 . . 0 "[ . 1]"
13 . 1 13 GLN C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -85.00 -30.00 -63.46 -75.25 -58.76 . . 0 "[ . 1]"
14 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 ILE N -75.00 -20.00 -46.85 -50.13 -39.86 . . 0 "[ . 1]"
15 . 1 14 VAL C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -85.00 -30.00 -68.48 -67.27 -70.26 . . 0 "[ . 1]"
16 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 MET N -75.00 -20.00 -33.43 -52.35 -21.15 . . 0 "[ . 1]"
17 . 1 15 ILE C 1 16 MET N 1 16 MET CA 1 16 MET C -85.00 -30.00 -67.38 -79.13 -60.23 . . 0 "[ . 1]"
18 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 ASP N -75.00 -20.00 -45.51 -54.69 -32.12 . . 0 "[ . 1]"
19 . 1 16 MET C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -85.00 -30.00 -66.84 -62.86 -64.81 . . 0 "[ . 1]"
20 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 HIS N -75.00 -20.00 -38.44 -48.71 -26.94 . . 0 "[ . 1]"
21 . 1 17 ASP C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -85.00 -30.00 -73.63 -85.34 -63.10 0.34 6 0 "[ . 1]"
22 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 TYR N -75.00 -20.00 -20.75 -19.42 -21.30 3.01 4 0 "[ . 1]"
23 . 1 18 HIS C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -85.00 -30.00 -74.82 -77.23 -82.44 0.97 1 0 "[ . 1]"
24 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 LYS N -75.00 -20.00 -31.64 -42.49 -20.57 . . 0 "[ . 1]"
25 . 1 19 TYR C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -85.00 -30.00 -71.09 -79.54 -59.74 . . 0 "[ . 1]"
26 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ASN N -75.00 -20.00 -24.91 -32.04 -19.33 0.67 7 0 "[ . 1]"
27 . 1 43 ASP C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -180.00 -70.00 -151.52 -149.02 -154.09 . . 0 "[ . 1]"
28 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 ILE N 60.00 180.00 128.14 97.44 141.75 . . 0 "[ . 1]"
29 . 1 44 ARG C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -180.00 -70.00 -126.95 -121.52 -122.40 . . 0 "[ . 1]"
30 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 ARG N 60.00 180.00 101.95 92.82 115.22 . . 0 "[ . 1]"
31 . 1 45 ILE C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -180.00 -70.00 -95.49 -89.12 -93.03 . . 0 "[ . 1]"
32 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 LEU N 60.00 180.00 106.33 97.72 115.99 . . 0 "[ . 1]"
33 . 1 46 ARG C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -180.00 -70.00 -105.96 -88.10 -99.55 . . 0 "[ . 1]"
34 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 THR N 60.00 180.00 104.00 106.21 104.75 . . 0 "[ . 1]"
35 . 1 47 LEU C 1 48 THR N 1 48 THR CA 1 48 THR C -180.00 -70.00 -116.87 -125.56 -113.27 . . 0 "[ . 1]"
36 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 MET N 60.00 180.00 112.58 96.16 133.21 . . 0 "[ . 1]"
37 . 1 48 THR C 1 49 MET N 1 49 MET CA 1 49 MET C -180.00 -70.00 -112.04 -105.19 -107.77 . . 0 "[ . 1]"
38 . 1 49 MET N 1 49 MET CA 1 49 MET C 1 50 LYS N 60.00 180.00 157.83 136.69 167.23 . . 0 "[ . 1]"
39 . 1 49 MET C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -180.00 -70.00 -124.12 -120.81 -126.06 . . 0 "[ . 1]"
40 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 LEU N 60.00 180.00 94.08 86.16 104.58 . . 0 "[ . 1]"
41 . 1 57 GLU C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -180.00 -70.00 -123.51 -119.10 -125.01 . . 0 "[ . 1]"
42 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ALA N 60.00 180.00 154.91 104.14 174.76 . . 0 "[ . 1]"
43 . 1 58 ASP C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -180.00 -70.00 -152.06 -151.65 -156.01 . . 0 "[ . 1]"
44 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 LYS N 60.00 180.00 126.21 113.59 132.76 . . 0 "[ . 1]"
45 . 1 59 ALA C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -180.00 -70.00 -120.02 -114.19 -121.76 . . 0 "[ . 1]"
46 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 PHE N 60.00 180.00 127.28 110.44 144.15 . . 0 "[ . 1]"
47 . 1 60 LYS C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -180.00 -70.00 -125.23 -140.53 -106.41 . . 0 "[ . 1]"
48 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 GLU N 60.00 180.00 106.26 102.87 100.25 . . 0 "[ . 1]"
49 . 1 61 PHE C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -180.00 -70.00 -101.70 -74.89 -81.27 . . 0 "[ . 1]"
50 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 GLY N 60.00 180.00 101.30 82.56 79.43 . . 0 "[ . 1]"
51 . 1 62 GLU C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -180.00 -70.00 -125.97 -103.61 -104.18 . . 0 "[ . 1]"
52 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 GLU N 60.00 180.00 127.77 103.82 161.07 . . 0 "[ . 1]"
53 . 1 63 GLY C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -180.00 -70.00 -123.14 -138.61 -90.09 . . 0 "[ . 1]"
54 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 GLY N 60.00 180.00 135.39 155.24 150.76 . . 0 "[ . 1]"
55 . 1 70 MET C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -85.00 -30.00 -86.28 -88.69 -84.51 3.69 2 0 "[ . 1]"
56 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 SER N -75.00 -20.00 -53.40 -61.04 -45.65 . . 0 "[ . 1]"
57 . 1 71 ALA C 1 72 SER N 1 72 SER CA 1 72 SER C -85.00 -30.00 -63.77 -74.79 -55.32 . . 0 "[ . 1]"
58 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 ALA N -75.00 -20.00 -46.55 -53.64 -37.96 . . 0 "[ . 1]"
59 . 1 72 SER C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -85.00 -30.00 -56.20 -63.76 -49.32 . . 0 "[ . 1]"
60 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 SER N -75.00 -20.00 -49.95 -40.57 -43.16 . . 0 "[ . 1]"
61 . 1 73 ALA C 1 74 SER N 1 74 SER CA 1 74 SER C -85.00 -30.00 -65.01 -71.62 -55.74 . . 0 "[ . 1]"
62 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 MET N -75.00 -20.00 -33.40 -31.96 -34.11 . . 0 "[ . 1]"
63 . 1 74 SER C 1 75 MET N 1 75 MET CA 1 75 MET C -85.00 -30.00 -73.78 -75.33 -77.41 . . 0 "[ . 1]"
64 . 1 75 MET N 1 75 MET CA 1 75 MET C 1 76 MET N -75.00 -20.00 -46.05 -41.81 -43.72 . . 0 "[ . 1]"
65 . 1 75 MET C 1 76 MET N 1 76 MET CA 1 76 MET C -85.00 -30.00 -66.81 -67.70 -72.29 . . 0 "[ . 1]"
66 . 1 76 MET N 1 76 MET CA 1 76 MET C 1 77 THR N -75.00 -20.00 -33.99 -31.19 -31.93 . . 0 "[ . 1]"
67 . 1 76 MET C 1 77 THR N 1 77 THR CA 1 77 THR C -85.00 -30.00 -70.35 -73.44 -74.60 . . 0 "[ . 1]"
68 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 GLN N -75.00 -20.00 -23.55 -33.26 -19.52 0.48 6 0 "[ . 1]"
69 . 1 77 THR C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -85.00 -30.00 -74.53 -70.53 -71.75 1.03 9 0 "[ . 1]"
70 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 ALA N -75.00 -20.00 -39.64 -34.54 -37.61 . . 0 "[ . 1]"
71 . 1 78 GLN C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -85.00 -30.00 -70.41 -83.72 -62.03 . . 0 "[ . 1]"
72 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 ILE N -75.00 -20.00 -33.61 -33.47 -33.87 . . 0 "[ . 1]"
73 . 1 79 ALA C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -85.00 -30.00 -74.40 -79.66 -67.59 . . 0 "[ . 1]"
74 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 LYS N -75.00 -20.00 -30.55 -33.54 -38.15 . . 0 "[ . 1]"
75 . 1 80 ILE C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -85.00 -30.00 -61.87 -66.01 -55.55 . . 0 "[ . 1]"
76 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 GLY N -75.00 -20.00 -20.86 -17.29 -18.33 2.89 2 0 "[ . 1]"
77 . 1 84 ASP C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -85.00 -30.00 -79.89 -61.49 -80.34 2.27 1 0 "[ . 1]"
78 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 GLU N -75.00 -20.00 -41.71 -49.14 -34.47 . . 0 "[ . 1]"
79 . 1 85 ILE C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -85.00 -30.00 -61.14 -55.67 -57.86 . . 0 "[ . 1]"
80 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 THR N -75.00 -20.00 -41.53 -41.48 -46.24 . . 0 "[ . 1]"
81 . 1 86 GLU C 1 87 THR N 1 87 THR CA 1 87 THR C -85.00 -30.00 -74.79 -83.01 -62.74 . . 0 "[ . 1]"
82 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 ALA N -75.00 -20.00 -27.99 -36.03 -19.18 0.82 5 0 "[ . 1]"
83 . 1 87 THR C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -85.00 -30.00 -70.98 -66.76 -69.90 . . 0 "[ . 1]"
84 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 LEU N -75.00 -20.00 -42.82 -41.18 -43.60 . . 0 "[ . 1]"
85 . 1 88 ALA C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -85.00 -30.00 -63.74 -64.76 -65.38 . . 0 "[ . 1]"
86 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 SER N -75.00 -20.00 -36.27 -31.36 -34.14 . . 0 "[ . 1]"
87 . 1 89 LEU C 1 90 SER N 1 90 SER CA 1 90 SER C -85.00 -30.00 -72.48 -85.03 -63.96 0.03 3 0 "[ . 1]"
88 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 MET N -75.00 -20.00 -31.03 -36.10 -45.48 0.11 10 0 "[ . 1]"
89 . 1 90 SER C 1 91 MET N 1 91 MET CA 1 91 MET C -85.00 -30.00 -67.41 -79.32 -58.11 . . 0 "[ . 1]"
90 . 1 91 MET N 1 91 MET CA 1 91 MET C 1 92 SER N -75.00 -20.00 -29.72 -34.73 -35.18 0.62 10 0 "[ . 1]"
91 . 1 91 MET C 1 92 SER N 1 92 SER CA 1 92 SER C -85.00 -30.00 -85.03 -82.30 -84.66 2.69 1 0 "[ . 1]"
92 . 1 92 SER N 1 92 SER CA 1 92 SER C 1 93 LYS N -75.00 -20.00 -31.55 -30.02 -30.26 . . 0 "[ . 1]"
93 . 1 92 SER C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -85.00 -30.00 -60.52 -63.98 -55.41 . . 0 "[ . 1]"
94 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 ILE N -75.00 -20.00 -47.40 -43.13 -47.29 . . 0 "[ . 1]"
95 . 1 93 LYS C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -85.00 -30.00 -74.38 -82.92 -57.83 . . 0 "[ . 1]"
96 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 PHE N -75.00 -20.00 -27.27 -28.43 -32.32 . . 0 "[ . 1]"
97 . 1 94 ILE C 1 95 PHE N 1 95 PHE CA 1 95 PHE C -85.00 -30.00 -59.74 -69.72 -54.63 . . 0 "[ . 1]"
98 . 1 95 PHE N 1 95 PHE CA 1 95 PHE C 1 96 SER N -75.00 -20.00 -43.10 -42.08 -44.24 . . 0 "[ . 1]"
99 . 1 95 PHE C 1 96 SER N 1 96 SER CA 1 96 SER C -85.00 -30.00 -79.13 -70.16 -77.99 0.95 9 0 "[ . 1]"
100 . 1 96 SER N 1 96 SER CA 1 96 SER C 1 97 ASP N -75.00 -20.00 -32.21 -31.99 -33.97 . . 0 "[ . 1]"
101 . 1 96 SER C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -85.00 -30.00 -69.59 -83.89 -57.63 . . 0 "[ . 1]"
102 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 MET N -75.00 -20.00 -32.57 -27.95 -30.95 1.83 4 0 "[ . 1]"
103 . 1 97 ASP C 1 98 MET N 1 98 MET CA 1 98 MET C -85.00 -30.00 -56.59 -49.06 -52.26 . . 0 "[ . 1]"
104 . 1 98 MET N 1 98 MET CA 1 98 MET C 1 99 MET N -75.00 -20.00 -30.56 -51.71 -18.54 1.46 8 0 "[ . 1]"
105 . 1 110 LEU C 1 111 GLY N 1 111 GLY CA 1 111 GLY C -85.00 -30.00 -63.90 -74.32 -50.05 . . 0 "[ . 1]"
106 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 ASP N -75.00 -20.00 -39.43 -54.58 -57.72 0.26 10 0 "[ . 1]"
107 . 1 111 GLY C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -85.00 -30.00 -71.23 -72.87 -79.08 . . 0 "[ . 1]"
108 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 ILE N -75.00 -20.00 -39.46 -48.57 -28.94 . . 0 "[ . 1]"
109 . 1 112 ASP C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -85.00 -30.00 -66.29 -80.58 -58.10 . . 0 "[ . 1]"
110 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 GLU N -75.00 -20.00 -31.93 -35.57 -37.73 0.79 10 0 "[ . 1]"
111 . 1 113 ILE C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -85.00 -30.00 -63.21 -66.08 -77.61 . . 0 "[ . 1]"
112 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 ALA N -75.00 -20.00 -31.42 -41.35 -21.44 . . 0 "[ . 1]"
113 . 1 116 LEU C 1 117 GLN N 1 117 GLN CA 1 117 GLN C -85.00 -30.00 -62.76 -83.16 -49.02 . . 0 "[ . 1]"
114 . 1 117 GLN N 1 117 GLN CA 1 117 GLN C 1 118 GLY N -75.00 -20.00 -34.90 -19.88 -23.49 0.96 2 0 "[ . 1]"
115 . 1 117 GLN C 1 118 GLY N 1 118 GLY CA 1 118 GLY C -85.00 -30.00 -68.33 -63.47 -64.23 . . 0 "[ . 1]"
116 . 1 118 GLY N 1 118 GLY CA 1 118 GLY C 1 119 VAL N -75.00 -20.00 -45.25 -52.95 -33.83 . . 0 "[ . 1]"
117 . 1 118 GLY C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -85.00 -30.00 -78.28 -73.28 -78.51 2.55 9 0 "[ . 1]"
118 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 SER N -75.00 -20.00 -20.30 -34.73 -17.04 2.96 10 0 "[ . 1]"
119 . 1 119 VAL C 1 120 SER N 1 120 SER CA 1 120 SER C -85.00 -30.00 -53.17 -61.05 -43.52 . . 0 "[ . 1]"
120 . 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 LYS N -75.00 -20.00 -15.39 -12.01 -12.64 7.99 2 4 "[*+ *- 1]"
121 . 1 125 ARG C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -85.00 -30.00 -71.57 -74.22 -75.93 . . 0 "[ . 1]"
122 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 LYS N -75.00 -20.00 -30.60 -30.06 -31.00 . . 0 "[ . 1]"
123 . 1 126 ILE C 1 127 LYS N 1 127 LYS CA 1 127 LYS C -85.00 -30.00 -80.70 -85.90 -74.52 0.90 5 0 "[ . 1]"
124 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 CYS N -75.00 -20.00 -24.33 -58.48 -18.63 1.37 6 0 "[ . 1]"
125 . 1 127 LYS C 1 128 CYS N 1 128 CYS CA 1 128 CYS C -85.00 -30.00 -82.44 -86.72 -69.54 1.72 8 0 "[ . 1]"
126 . 1 128 CYS N 1 128 CYS CA 1 128 CYS C 1 129 ALA N -75.00 -20.00 -26.51 -34.84 -19.54 0.46 3 0 "[ . 1]"
127 . 1 128 CYS C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -85.00 -30.00 -77.29 -86.06 -71.90 1.06 8 0 "[ . 1]"
128 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 THR N -75.00 -20.00 -45.15 -48.51 -50.36 . . 0 "[ . 1]"
129 . 1 129 ALA C 1 130 THR N 1 130 THR CA 1 130 THR C -85.00 -30.00 -62.38 -62.94 -64.92 . . 0 "[ . 1]"
130 . 1 130 THR N 1 130 THR CA 1 130 THR C 1 131 LEU N -75.00 -20.00 -32.80 -43.97 -26.34 . . 0 "[ . 1]"
131 . 1 130 THR C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -85.00 -30.00 -57.14 -50.29 -52.95 . . 0 "[ . 1]"
132 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 SER N -75.00 -20.00 -58.63 -63.30 -64.67 . . 0 "[ . 1]"
133 . 1 131 LEU C 1 132 SER N 1 132 SER CA 1 132 SER C -85.00 -30.00 -70.50 -75.56 -63.94 . . 0 "[ . 1]"
134 . 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 TRP N -75.00 -20.00 -47.97 -58.39 -34.12 . . 0 "[ . 1]"
135 . 1 132 SER C 1 133 TRP N 1 133 TRP CA 1 133 TRP C -85.00 -30.00 -66.79 -63.34 -66.06 . . 0 "[ . 1]"
136 . 1 133 TRP N 1 133 TRP CA 1 133 TRP C 1 134 LYS N -75.00 -20.00 -51.47 -52.29 -55.33 . . 0 "[ . 1]"
137 . 1 133 TRP C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -85.00 -30.00 -72.52 -83.51 -66.92 . . 0 "[ . 1]"
138 . 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 ALA N -75.00 -20.00 -23.06 -26.90 -32.93 2.39 9 0 "[ . 1]"
139 . 1 134 LYS C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -85.00 -30.00 -69.45 -61.30 -64.82 1.35 9 0 "[ . 1]"
140 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 LEU N -75.00 -20.00 -37.63 -45.26 -27.00 . . 0 "[ . 1]"
141 . 1 135 ALA C 1 136 LEU N 1 136 LEU CA 1 136 LEU C -85.00 -30.00 -82.86 -88.87 -76.10 3.87 6 0 "[ . 1]"
142 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C 1 137 GLU N -75.00 -20.00 -44.49 -63.27 -34.16 . . 0 "[ . 1]"
143 . 1 136 LEU C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -85.00 -30.00 -67.38 -66.84 -70.26 . . 0 "[ . 1]"
144 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 LYS N -75.00 -20.00 -28.11 -20.84 -21.91 0.26 8 0 "[ . 1]"
145 . 1 26 GLY C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -167.00 -87.00 -131.60 -131.09 -134.49 . . 0 "[ . 1]"
146 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 LEU N 91.00 -169.00 104.53 95.27 119.47 . . 0 "[ . 1]"
147 . 1 31 SER C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -146.00 -66.00 -98.19 -93.35 -106.84 . . 0 "[ . 1]"
148 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 VAL N 77.00 177.00 127.19 129.42 128.32 . . 0 "[ . 1]"
149 . 1 32 ILE C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -150.00 -70.00 -133.23 -142.20 -126.44 . . 0 "[ . 1]"
150 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 VAL N 83.00 -177.00 96.26 82.73 108.46 0.27 10 0 "[ . 1]"
151 . 1 33 VAL C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -160.00 -80.00 -114.80 -131.21 -98.81 . . 0 "[ . 1]"
152 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ASP N 84.00 -176.00 121.04 105.71 142.97 . . 0 "[ . 1]"
153 . 1 34 VAL C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -144.00 -64.00 -119.44 -95.34 -105.52 . . 0 "[ . 1]"
154 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 MET N 80.00 180.00 138.61 118.60 154.06 . . 0 "[ . 1]"
155 . 1 35 ASP C 1 36 MET N 1 36 MET CA 1 36 MET C -176.00 -96.00 -140.00 -153.10 -124.98 . . 0 "[ . 1]"
156 . 1 36 MET N 1 36 MET CA 1 36 MET C 1 37 ASN N 101.00 -159.00 133.66 115.22 159.06 . . 0 "[ . 1]"
157 . 1 36 MET C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -169.00 -89.00 -128.74 -162.39 -102.93 . . 0 "[ . 1]"
158 . 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 ASN N 98.00 -162.00 142.18 158.04 152.04 . . 0 "[ . 1]"
159 . 1 37 ASN C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -168.00 -88.00 -125.57 -139.97 -106.02 . . 0 "[ . 1]"
160 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 PRO N 79.00 179.00 101.80 94.39 86.62 . . 0 "[ . 1]"
161 . 1 40 THR C 1 41 CYS N 1 41 CYS CA 1 41 CYS C -131.00 -51.00 -127.82 -133.92 -99.82 2.92 4 0 "[ . 1]"
162 . 1 41 CYS N 1 41 CYS CA 1 41 CYS C 1 42 GLY N -83.00 17.00 -7.40 -18.33 -24.93 2.34 9 0 "[ . 1]"
163 . 1 50 LYS C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -134.00 -54.00 -94.46 -91.12 -95.35 . . 0 "[ . 1]"
164 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ASP N 83.00 -177.00 102.52 82.02 121.12 0.98 9 0 "[ . 1]"
165 . 1 51 LEU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -129.00 -49.00 -103.50 -105.93 -109.72 . . 0 "[ . 1]"
166 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 GLY N 68.00 168.00 66.54 63.15 72.54 4.85 8 0 "[ . 1]"
167 . 1 52 ASP C 1 53 GLY N 1 53 GLY CA 1 53 GLY C 148.00 -132.00 144.55 144.35 144.05 5.64 10 1 "[ . +]"
168 . 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 ASP N 158.00 -102.00 -102.75 -109.49 -99.90 2.10 9 0 "[ . 1]"
169 . 1 55 ILE C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -126.00 -46.00 -99.47 -105.30 -123.76 0.73 7 0 "[ . 1]"
170 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 GLU N 66.00 166.00 99.19 84.57 117.74 . . 0 "[ . 1]"
171 . 1 64 GLU C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 147.00 -133.00 164.16 145.47 145.44 1.56 1 0 "[ . 1]"
172 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 CYS N 126.00 -134.00 -131.29 -131.44 -131.95 4.14 8 0 "[ . 1]"
173 . 1 65 GLY C 1 66 CYS N 1 66 CYS CA 1 66 CYS C -154.00 -74.00 -97.56 -119.24 -81.25 . . 0 "[ . 1]"
174 . 1 66 CYS N 1 66 CYS CA 1 66 CYS C 1 67 SER N 102.00 -158.00 165.51 155.71 -175.66 . . 0 "[ . 1]"
175 . 1 67 SER C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -116.00 -36.00 -76.16 -75.38 -79.61 . . 0 "[ . 1]"
176 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 SER N -88.00 12.00 -33.54 -36.23 -42.93 . . 0 "[ . 1]"
177 . 1 68 ILE C 1 69 SER N 1 69 SER CA 1 69 SER C -106.00 -26.00 -72.13 -79.13 -65.51 . . 0 "[ . 1]"
178 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 MET N -92.00 8.00 -42.90 -47.66 -52.35 . . 0 "[ . 1]"
179 . 1 69 SER C 1 70 MET N 1 70 MET CA 1 70 MET C -105.00 -25.00 -72.78 -82.07 -60.04 . . 0 "[ . 1]"
180 . 1 70 MET N 1 70 MET CA 1 70 MET C 1 71 ALA N -88.00 12.00 -19.63 -38.22 -5.11 . . 0 "[ . 1]"
181 . 1 82 GLY C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -133.00 -53.00 -133.01 -135.16 -127.55 2.16 4 0 "[ . 1]"
182 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ASP N 106.00 -154.00 -173.61 -156.91 -168.60 . . 0 "[ . 1]"
183 . 1 98 MET C 1 99 MET N 1 99 MET CA 1 99 MET C -117.00 -37.00 -74.56 -82.34 -60.00 . . 0 "[ . 1]"
184 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 GLN N -78.00 22.00 -26.51 -58.69 -5.46 . . 0 "[ . 1]"
185 . 1 99 MET C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -141.00 -61.00 -111.91 -95.52 -96.21 . . 0 "[ . 1]"
186 . 1 100 GLN N 1 100 GLN CA 1 100 GLN C 1 101 GLY N -42.00 58.00 -27.09 -37.05 -38.67 1.57 4 0 "[ . 1]"
187 . 1 104 TYR C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -132.00 -52.00 -122.04 -131.50 -132.96 3.36 3 0 "[ . 1]"
188 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 ASP N 81.00 -179.00 107.33 75.08 144.33 5.92 10 1 "[ . +]"
189 . 1 108 ILE C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -140.00 -60.00 -114.06 -142.65 -68.34 2.65 9 0 "[ . 1]"
190 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 LEU N 67.00 167.00 101.92 124.59 105.29 0.75 8 0 "[ . 1]"
191 . 1 123 PRO N 1 123 PRO CA 1 123 PRO C 1 124 ALA N -79.00 21.00 -24.23 -18.98 -25.07 . . 0 "[ . 1]"
192 . 1 123 PRO C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -111.00 -31.00 -102.58 -112.40 -91.53 1.40 7 0 "[ . 1]"
193 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 ARG N -83.00 17.00 -7.23 -11.59 -15.32 . . 0 "[ . 1]"
194 . 1 137 GLU C 1 138 LYS N 1 138 LYS CA 1 138 LYS C -108.00 -28.00 -91.09 -109.67 -69.45 1.67 10 0 "[ . 1]"
195 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 GLY N -86.00 14.00 -19.46 -41.56 -4.32 . . 0 "[ . 1]"
196 . 1 138 LYS C 1 139 GLY N 1 139 GLY CA 1 139 GLY C -105.00 -25.00 -66.49 -80.61 -57.14 . . 0 "[ . 1]"
197 . 1 139 GLY N 1 139 GLY CA 1 139 GLY C 1 140 VAL N -74.00 26.00 -56.82 -55.78 -60.19 . . 0 "[ . 1]"
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