NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652229 |
6uf2   |
30676 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6uf2
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 188
_TA_constraint_stats_list.Viol_count 214
_TA_constraint_stats_list.Viol_total 3453.68
_TA_constraint_stats_list.Viol_max 5.53
_TA_constraint_stats_list.Viol_rms 0.64
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 1.61
_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 2 ARG C 1 3 ILE N 1 3 ILE CA 1 3 ILE C -77.90 -37.90 -64.13 -61.73 -63.49 . . 0 "[ . 1]"
2 . 1 3 ILE N 1 3 ILE CA 1 3 ILE C 1 4 ASP N -54.20 -14.20 -21.82 -36.70 -14.15 0.05 5 0 "[ . 1]"
3 . 1 3 ILE C 1 4 ASP N 1 4 ASP CA 1 4 ASP C -91.70 -51.70 -73.23 -79.44 -63.52 . . 0 "[ . 1]"
4 . 1 4 ASP N 1 4 ASP CA 1 4 ASP C 1 5 GLU N -31.70 8.30 -10.81 -10.47 -11.08 . . 0 "[ . 1]"
5 . 1 6 LEU C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -88.80 -48.80 -89.83 -90.69 -89.23 1.89 4 0 "[ . 1]"
6 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 PRO N 115.40 157.80 156.51 151.48 158.43 0.63 3 0 "[ . 1]"
7 . 1 7 VAL C 1 8 PRO N 1 8 PRO CA 1 8 PRO C -84.20 -44.20 -55.90 -58.34 -53.99 . . 0 "[ . 1]"
8 . 1 8 PRO N 1 8 PRO CA 1 8 PRO C 1 9 ALA N 126.20 166.20 127.56 125.65 129.00 0.55 7 0 "[ . 1]"
9 . 1 8 PRO C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -99.60 -46.60 -78.16 -83.37 -72.92 . . 0 "[ . 1]"
10 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 ASP N 120.60 168.40 118.70 118.50 117.79 3.60 1 0 "[ . 1]"
11 . 1 9 ALA C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -82.20 -42.20 -84.53 -84.78 -85.64 3.60 1 0 "[ . 1]"
12 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 PRO N 125.30 165.70 161.73 162.32 161.80 . . 0 "[ . 1]"
13 . 1 10 ASP C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -73.80 -33.80 -58.24 -57.70 -60.41 . . 0 "[ . 1]"
14 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 ARG N -55.60 -15.60 -23.59 -26.94 -18.18 . . 0 "[ . 1]"
15 . 1 11 PRO C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -85.50 -45.50 -74.54 -79.07 -71.65 . . 0 "[ . 1]"
16 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 ALA N -58.30 -18.30 -51.41 -53.07 -47.87 . . 0 "[ . 1]"
17 . 1 12 ARG C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -88.20 -48.20 -56.72 -58.09 -59.57 . . 0 "[ . 1]"
18 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 VAL N -61.70 -21.70 -46.31 -47.55 -44.35 . . 0 "[ . 1]"
19 . 1 13 ALA C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -83.40 -43.40 -61.01 -61.26 -61.56 . . 0 "[ . 1]"
20 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 SER N -63.00 -23.00 -43.25 -44.05 -44.36 . . 0 "[ . 1]"
21 . 1 14 VAL C 1 15 SER N 1 15 SER CA 1 15 SER C -84.60 -44.60 -72.99 -72.69 -73.01 . . 0 "[ . 1]"
22 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 LEU N -56.10 -16.10 -34.41 -37.46 -19.26 . . 0 "[ . 1]"
23 . 1 15 SER C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -88.90 -48.90 -71.93 -70.80 -71.44 . . 0 "[ . 1]"
24 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 TYR N -54.80 -14.80 -40.69 -43.38 -38.93 . . 0 "[ . 1]"
25 . 1 16 LEU C 1 17 TYR N 1 17 TYR CA 1 17 TYR C -116.00 -65.40 -71.02 -75.33 -79.54 1.61 7 0 "[ . 1]"
26 . 1 17 TYR N 1 17 TYR CA 1 17 TYR C 1 18 THR N -42.20 5.20 -26.85 -42.25 -13.64 0.05 5 0 "[ . 1]"
27 . 1 27 ARG C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -87.30 -47.30 -65.24 -66.48 -68.60 . . 0 "[ . 1]"
28 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 TYR N -50.90 -10.90 -25.78 -43.98 -12.80 . . 0 "[ . 1]"
29 . 1 28 ARG C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -112.70 -49.30 -73.78 -100.53 -66.56 . . 0 "[ . 1]"
30 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 LEU N -56.40 1.40 -26.95 -27.70 -35.12 . . 0 "[ . 1]"
31 . 1 30 LEU C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -79.30 -39.30 -68.72 -64.95 -67.97 . . 0 "[ . 1]"
32 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 TYR N -57.90 -17.90 -20.35 -23.08 -17.26 0.64 4 0 "[ . 1]"
33 . 1 31 PRO C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -88.70 -48.70 -71.15 -69.41 -70.17 . . 0 "[ . 1]"
34 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 ALA N -59.20 -19.20 -34.83 -37.26 -37.84 . . 0 "[ . 1]"
35 . 1 32 TYR C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -86.20 -46.20 -75.70 -79.78 -71.90 . . 0 "[ . 1]"
36 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 LEU N -59.30 -19.30 -21.37 -19.13 -24.22 1.41 7 0 "[ . 1]"
37 . 1 33 ALA C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -86.70 -46.70 -68.26 -73.43 -63.46 . . 0 "[ . 1]"
38 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 SER N -56.90 -16.90 -30.40 -22.32 -36.09 . . 0 "[ . 1]"
39 . 1 34 LEU C 1 35 SER N 1 35 SER CA 1 35 SER C -88.00 -48.00 -72.52 -85.09 -63.08 . . 0 "[ . 1]"
40 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 LEU N -58.70 -18.70 -31.43 -25.39 -37.98 1.51 5 0 "[ . 1]"
41 . 1 35 SER C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -85.80 -45.80 -74.53 -88.38 -64.59 2.58 2 0 "[ . 1]"
42 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 TYR N -62.60 -22.60 -43.12 -47.67 -39.46 . . 0 "[ . 1]"
43 . 1 36 LEU C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -85.20 -45.20 -56.63 -67.30 -51.78 . . 0 "[ . 1]"
44 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 GLN N -54.70 -14.70 -26.40 -37.71 -11.53 3.17 5 0 "[ . 1]"
45 . 1 37 TYR C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -101.30 -61.30 -66.68 -73.11 -61.87 . . 0 "[ . 1]"
46 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 GLY N -33.90 6.10 -15.38 -13.32 -17.55 . . 0 "[ . 1]"
47 . 1 39 GLY C 1 40 SER N 1 40 SER CA 1 40 SER C -92.90 -52.90 -69.18 -71.24 -65.73 . . 0 "[ . 1]"
48 . 1 40 SER N 1 40 SER CA 1 40 SER C 1 41 SER N -53.00 -13.00 -43.51 -46.00 -41.65 . . 0 "[ . 1]"
49 . 1 41 SER C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -151.00 -110.40 -137.16 -140.60 -132.59 . . 0 "[ . 1]"
50 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 GLU N 115.90 159.50 125.93 123.11 129.03 . . 0 "[ . 1]"
51 . 1 42 ILE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -158.60 -87.20 -152.09 -152.35 -154.03 . . 0 "[ . 1]"
52 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 GLY N 125.70 168.70 127.10 125.59 133.65 0.11 6 0 "[ . 1]"
53 . 1 44 GLY C 1 45 SER N 1 45 SER CA 1 45 SER C -154.00 -68.40 -121.19 -122.16 -119.13 . . 0 "[ . 1]"
54 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 ARG N 109.20 155.60 115.13 115.72 115.40 . . 0 "[ . 1]"
55 . 1 45 SER C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -133.90 -91.10 -93.34 -95.72 -91.53 . . 0 "[ . 1]"
56 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 ALA N 106.00 146.00 131.12 132.47 131.20 . . 0 "[ . 1]"
57 . 1 46 ARG C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -94.80 -54.80 -80.72 -79.91 -80.21 . . 0 "[ . 1]"
58 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 VAL N 112.70 152.70 122.12 116.38 129.80 . . 0 "[ . 1]"
59 . 1 47 ALA C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -139.80 -62.80 -104.59 -101.86 -106.15 . . 0 "[ . 1]"
60 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 GLU N 95.30 175.10 114.37 108.67 119.35 . . 0 "[ . 1]"
61 . 1 48 VAL C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -78.20 -38.20 -71.45 -71.33 -72.33 . . 0 "[ . 1]"
62 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLY N 111.70 151.70 135.01 129.75 139.28 . . 0 "[ . 1]"
63 . 1 49 GLU C 1 50 GLY N 1 50 GLY CA 1 50 GLY C 67.60 107.60 99.33 100.40 98.28 . . 0 "[ . 1]"
64 . 1 50 GLY N 1 50 GLY CA 1 50 GLY C 1 51 GLY N -27.50 25.30 -6.05 -6.10 -7.65 . . 0 "[ . 1]"
65 . 1 52 ALA C 1 53 PRO N 1 53 PRO CA 1 53 PRO C -90.20 -50.20 -74.98 -75.18 -75.45 . . 0 "[ . 1]"
66 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 ILE N 113.00 167.20 124.69 126.06 124.95 . . 0 "[ . 1]"
67 . 1 53 PRO C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -136.60 -89.80 -109.38 -111.12 -108.20 . . 0 "[ . 1]"
68 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 SER N 103.00 152.80 137.05 136.80 136.43 . . 0 "[ . 1]"
69 . 1 55 SER C 1 56 PHE N 1 56 PHE CA 1 56 PHE C -156.00 -116.00 -141.48 -140.92 -141.06 . . 0 "[ . 1]"
70 . 1 56 PHE N 1 56 PHE CA 1 56 PHE C 1 57 VAL N 131.90 171.90 144.41 143.50 146.52 . . 0 "[ . 1]"
71 . 1 56 PHE C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -148.40 -108.40 -129.75 -129.36 -129.56 . . 0 "[ . 1]"
72 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 ALA N 111.30 151.30 131.19 131.89 131.79 . . 0 "[ . 1]"
73 . 1 57 VAL C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -137.30 -97.30 -138.18 -138.05 -138.35 1.79 10 0 "[ . 1]"
74 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 THR N 112.90 152.90 132.49 128.65 136.06 . . 0 "[ . 1]"
75 . 1 58 ALA C 1 59 THR N 1 59 THR CA 1 59 THR C -146.20 -106.20 -130.72 -129.56 -131.16 . . 0 "[ . 1]"
76 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 TRP N 119.20 164.40 148.10 131.09 164.58 0.18 5 0 "[ . 1]"
77 . 1 59 THR C 1 60 TRP N 1 60 TRP CA 1 60 TRP C -161.50 -74.10 -121.84 -110.95 -113.97 . . 0 "[ . 1]"
78 . 1 60 TRP N 1 60 TRP CA 1 60 TRP C 1 61 THR N 113.80 167.00 128.41 114.76 153.94 . . 0 "[ . 1]"
79 . 1 60 TRP C 1 61 THR N 1 61 THR CA 1 61 THR C -163.50 -100.50 -153.49 -155.91 -164.17 0.91 5 0 "[ . 1]"
80 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 VAL N 123.80 179.20 153.05 140.75 179.19 . . 0 "[ . 1]"
81 . 1 61 THR C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -104.70 -61.90 -73.77 -71.68 -76.62 . . 0 "[ . 1]"
82 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 THR N 104.10 164.10 100.84 100.67 100.01 4.60 5 0 "[ . 1]"
83 . 1 62 VAL C 1 63 THR N 1 63 THR CA 1 63 THR C -98.00 -38.00 -99.87 -99.87 -100.59 2.76 10 0 "[ . 1]"
84 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 PRO N 122.30 -177.50 159.13 156.95 144.53 . . 0 "[ . 1]"
85 . 1 64 PRO C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -86.90 -36.30 -48.17 -46.45 -46.72 . . 0 "[ . 1]"
86 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 PRO N -66.20 -26.20 -52.36 -54.78 -50.62 . . 0 "[ . 1]"
87 . 1 65 LEU C 1 66 PRO N 1 66 PRO CA 1 66 PRO C -83.90 -43.90 -73.78 -74.76 -76.27 . . 0 "[ . 1]"
88 . 1 66 PRO N 1 66 PRO CA 1 66 PRO C 1 67 ALA N -45.20 -5.20 -6.79 -8.49 -4.57 0.63 6 0 "[ . 1]"
89 . 1 66 PRO C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -116.40 -76.40 -117.41 -117.93 -116.97 1.53 6 0 "[ . 1]"
90 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 ASP N -20.30 21.70 25.20 24.00 27.23 5.53 1 1 "[+ . 1]"
91 . 1 68 ASP C 1 69 MET N 1 69 MET CA 1 69 MET C -130.40 -76.20 -121.53 -120.99 -123.98 . . 0 "[ . 1]"
92 . 1 69 MET N 1 69 MET CA 1 69 MET C 1 70 THR N 111.60 151.60 153.53 153.86 153.39 2.75 8 0 "[ . 1]"
93 . 1 69 MET C 1 70 THR N 1 70 THR CA 1 70 THR C -126.80 -64.40 -94.82 -96.72 -90.82 . . 0 "[ . 1]"
94 . 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 ARG N 105.70 145.70 135.50 135.17 134.05 . . 0 "[ . 1]"
95 . 1 70 THR C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -123.90 -83.90 -112.82 -115.85 -109.99 . . 0 "[ . 1]"
96 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 CYS N 101.10 141.10 130.89 129.61 132.51 . . 0 "[ . 1]"
97 . 1 71 ARG C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -127.50 -76.30 -125.02 -123.36 -124.96 . . 0 "[ . 1]"
98 . 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 HIS N 104.50 144.50 138.36 138.30 137.45 . . 0 "[ . 1]"
99 . 1 72 CYS C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -127.20 -87.20 -117.27 -120.12 -115.18 . . 0 "[ . 1]"
100 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 LEU N 105.00 145.00 124.82 123.86 125.59 . . 0 "[ . 1]"
101 . 1 73 HIS C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -139.90 -99.90 -126.81 -128.43 -126.00 . . 0 "[ . 1]"
102 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 GLN N 113.30 153.30 131.08 140.24 135.18 . . 0 "[ . 1]"
103 . 1 74 LEU C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -127.20 -84.60 -105.46 -127.97 -100.77 0.77 2 0 "[ . 1]"
104 . 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 PHE N 103.20 143.20 139.08 142.90 140.42 . . 0 "[ . 1]"
105 . 1 75 GLN C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -140.10 -86.70 -86.52 -91.10 -85.79 0.91 3 0 "[ . 1]"
106 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 ASN N 106.40 146.40 113.02 124.20 114.30 . . 0 "[ . 1]"
107 . 1 78 ASN C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -133.60 -46.80 -93.03 -96.36 -91.28 . . 0 "[ . 1]"
108 . 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 ALA N 73.20 161.20 117.29 122.36 118.17 . . 0 "[ . 1]"
109 . 1 79 ASP C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -82.90 -42.90 -63.62 -68.76 -61.60 . . 0 "[ . 1]"
110 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 GLU N -42.90 -2.90 -24.07 -19.52 -24.41 . . 0 "[ . 1]"
111 . 1 80 ALA C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -97.30 -57.30 -77.98 -88.00 -70.47 . . 0 "[ . 1]"
112 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 LEU N -32.50 7.50 -12.19 -4.88 -14.15 . . 0 "[ . 1]"
113 . 1 82 LEU C 1 83 THR N 1 83 THR CA 1 83 THR C -143.00 -87.80 -122.60 -128.67 -118.87 . . 0 "[ . 1]"
114 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 TYR N 111.20 166.00 136.29 149.60 131.73 . . 0 "[ . 1]"
115 . 1 83 THR C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -149.80 -109.80 -115.46 -137.40 -108.54 1.26 5 0 "[ . 1]"
116 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 GLU N 130.40 170.40 132.37 132.52 132.30 . . 0 "[ . 1]"
117 . 1 85 GLU C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -143.50 -103.50 -120.24 -122.91 -118.82 . . 0 "[ . 1]"
118 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 LEU N 108.90 148.90 118.68 116.85 120.18 . . 0 "[ . 1]"
119 . 1 86 ILE C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -134.10 -83.30 -135.13 -135.39 -134.81 1.29 7 0 "[ . 1]"
120 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N 102.70 142.70 141.02 139.63 142.21 . . 0 "[ . 1]"
121 . 1 88 LEU C 1 89 PRO N 1 89 PRO CA 1 89 PRO C -77.50 -37.50 -52.67 -53.83 -51.31 . . 0 "[ . 1]"
122 . 1 89 PRO N 1 89 PRO CA 1 89 PRO C 1 90 ASN N 119.60 159.60 149.05 145.91 151.20 . . 0 "[ . 1]"
123 . 1 89 PRO C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -78.60 -38.60 -61.02 -61.21 -61.84 . . 0 "[ . 1]"
124 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 HIS N -55.80 -15.80 -19.17 -20.21 -18.02 . . 0 "[ . 1]"
125 . 1 90 ASN C 1 91 HIS N 1 91 HIS CA 1 91 HIS C -86.30 -46.30 -89.16 -88.77 -88.94 3.50 9 0 "[ . 1]"
126 . 1 91 HIS N 1 91 HIS CA 1 91 HIS C 1 92 GLU N -54.10 -14.10 -26.74 -45.58 -22.82 . . 0 "[ . 1]"
127 . 1 91 HIS C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -91.70 -51.70 -91.75 -71.53 -92.26 3.99 3 0 "[ . 1]"
128 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 PHE N -61.00 -21.00 -31.26 -35.45 -28.66 . . 0 "[ . 1]"
129 . 1 92 GLU C 1 93 PHE N 1 93 PHE CA 1 93 PHE C -82.20 -42.20 -63.50 -62.82 -63.42 . . 0 "[ . 1]"
130 . 1 93 PHE N 1 93 PHE CA 1 93 PHE C 1 94 LEU N -64.40 -24.40 -39.63 -39.32 -39.82 . . 0 "[ . 1]"
131 . 1 93 PHE C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -84.30 -44.30 -64.83 -66.45 -62.70 . . 0 "[ . 1]"
132 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 GLU N -56.70 -16.70 -32.59 -28.30 -31.96 . . 0 "[ . 1]"
133 . 1 94 LEU C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -84.60 -44.60 -59.25 -63.99 -57.36 . . 0 "[ . 1]"
134 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 TYR N -59.90 -19.90 -41.55 -40.77 -40.99 . . 0 "[ . 1]"
135 . 1 95 GLU C 1 96 TYR N 1 96 TYR CA 1 96 TYR C -87.70 -47.70 -63.20 -67.83 -61.03 . . 0 "[ . 1]"
136 . 1 96 TYR N 1 96 TYR CA 1 96 TYR C 1 97 LEU N -58.20 -18.20 -47.02 -47.70 -48.18 . . 0 "[ . 1]"
137 . 1 96 TYR C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -85.20 -45.20 -61.11 -63.30 -59.39 . . 0 "[ . 1]"
138 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 ILE N -61.40 -21.40 -42.65 -43.55 -40.94 . . 0 "[ . 1]"
139 . 1 97 LEU C 1 98 ILE N 1 98 ILE CA 1 98 ILE C -82.70 -42.70 -63.19 -61.85 -62.72 . . 0 "[ . 1]"
140 . 1 98 ILE N 1 98 ILE CA 1 98 ILE C 1 99 ASP N -62.40 -22.40 -44.39 -46.91 -41.03 . . 0 "[ . 1]"
141 . 1 98 ILE C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -84.70 -44.70 -62.24 -62.71 -62.75 . . 0 "[ . 1]"
142 . 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 MET N -58.30 -18.30 -40.85 -42.64 -39.60 . . 0 "[ . 1]"
143 . 1 99 ASP C 1 100 MET N 1 100 MET CA 1 100 MET C -84.80 -44.80 -62.93 -63.52 -62.32 . . 0 "[ . 1]"
144 . 1 100 MET N 1 100 MET CA 1 100 MET C 1 101 LEU N -65.80 -25.80 -48.59 -50.74 -44.82 . . 0 "[ . 1]"
145 . 1 100 MET C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -83.70 -43.70 -65.81 -69.19 -62.57 . . 0 "[ . 1]"
146 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 MET N -64.50 -24.50 -46.00 -49.16 -44.17 . . 0 "[ . 1]"
147 . 1 101 LEU C 1 102 MET N 1 102 MET CA 1 102 MET C -84.70 -44.70 -62.63 -64.03 -61.78 . . 0 "[ . 1]"
148 . 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 GLY N -61.70 -21.70 -49.80 -51.87 -48.64 . . 0 "[ . 1]"
149 . 1 102 MET C 1 103 GLY N 1 103 GLY CA 1 103 GLY C -84.00 -44.00 -62.71 -61.36 -62.20 . . 0 "[ . 1]"
150 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C 1 104 TYR N -61.60 -21.60 -45.90 -45.17 -46.60 . . 0 "[ . 1]"
151 . 1 103 GLY C 1 104 TYR N 1 104 TYR CA 1 104 TYR C -83.60 -43.60 -85.17 -85.89 -86.82 4.55 1 0 "[ . 1]"
152 . 1 104 TYR N 1 104 TYR CA 1 104 TYR C 1 105 GLN N -67.70 -27.70 -36.28 -33.59 -36.84 . . 0 "[ . 1]"
153 . 1 104 TYR C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -88.50 -48.50 -81.17 -82.51 -83.47 . . 0 "[ . 1]"
154 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 ARG N -60.40 -20.40 -50.33 -50.70 -51.64 . . 0 "[ . 1]"
155 . 1 105 GLN C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -94.20 -54.20 -64.29 -66.24 -62.84 . . 0 "[ . 1]"
156 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 MET N -61.40 -21.40 -43.04 -46.28 -40.78 . . 0 "[ . 1]"
157 . 1 106 ARG C 1 107 MET N 1 107 MET CA 1 107 MET C -120.80 -80.80 -85.61 -85.22 -85.40 . . 0 "[ . 1]"
158 . 1 107 MET N 1 107 MET CA 1 107 MET C 1 108 GLN N -21.00 19.00 -21.38 -22.72 -17.17 1.72 3 0 "[ . 1]"
159 . 1 107 MET C 1 108 GLN N 1 108 GLN CA 1 108 GLN C 33.80 73.80 61.30 60.93 60.37 . . 0 "[ . 1]"
160 . 1 108 GLN N 1 108 GLN CA 1 108 GLN C 1 109 LYS N 23.00 63.00 40.02 32.51 53.78 . . 0 "[ . 1]"
161 . 1 108 GLN C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -157.40 -93.40 -128.05 -137.32 -151.73 . . 0 "[ . 1]"
162 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 THR N 120.60 164.00 144.49 139.52 155.36 . . 0 "[ . 1]"
163 . 1 110 THR C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -172.90 -62.50 -98.81 -98.85 -127.09 . . 0 "[ . 1]"
164 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 PHE N 108.40 176.40 118.63 118.75 115.34 0.48 9 0 "[ . 1]"
165 . 1 111 ASP C 1 112 PHE N 1 112 PHE CA 1 112 PHE C -105.30 -45.90 -90.51 -106.65 -78.86 1.35 5 0 "[ . 1]"
166 . 1 112 PHE N 1 112 PHE CA 1 112 PHE C 1 113 PRO N 114.30 165.30 152.60 148.15 144.72 . . 0 "[ . 1]"
167 . 1 112 PHE C 1 113 PRO N 1 113 PRO CA 1 113 PRO C -81.60 -41.60 -62.62 -63.19 -63.77 . . 0 "[ . 1]"
168 . 1 113 PRO N 1 113 PRO CA 1 113 PRO C 1 114 GLY N 126.90 166.90 142.72 139.58 148.10 . . 0 "[ . 1]"
169 . 1 113 PRO C 1 114 GLY N 1 114 GLY CA 1 114 GLY C -78.80 -38.80 -61.93 -66.33 -59.49 . . 0 "[ . 1]"
170 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 ALA N -55.50 -15.50 -36.14 -39.56 -16.60 . . 0 "[ . 1]"
171 . 1 114 GLY C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -82.30 -42.30 -70.54 -72.24 -73.17 . . 0 "[ . 1]"
172 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 PHE N -55.10 -15.10 -30.38 -34.07 -26.38 . . 0 "[ . 1]"
173 . 1 115 ALA C 1 116 PHE N 1 116 PHE CA 1 116 PHE C -88.80 -48.80 -72.53 -72.93 -73.34 . . 0 "[ . 1]"
174 . 1 116 PHE N 1 116 PHE CA 1 116 PHE C 1 117 TYR N -63.00 -23.00 -35.23 -35.32 -36.45 . . 0 "[ . 1]"
175 . 1 116 PHE C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -85.20 -45.20 -71.76 -73.56 -69.71 . . 0 "[ . 1]"
176 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 ARG N -57.50 -17.50 -22.87 -22.46 -23.14 0.29 8 0 "[ . 1]"
177 . 1 117 TYR C 1 118 ARG N 1 118 ARG CA 1 118 ARG C -83.80 -43.80 -63.20 -67.61 -60.72 . . 0 "[ . 1]"
178 . 1 118 ARG N 1 118 ARG CA 1 118 ARG C 1 119 ARG N -59.30 -19.30 -46.68 -45.77 -46.50 . . 0 "[ . 1]"
179 . 1 118 ARG C 1 119 ARG N 1 119 ARG CA 1 119 ARG C -89.30 -49.30 -66.07 -62.89 -64.03 . . 0 "[ . 1]"
180 . 1 119 ARG N 1 119 ARG CA 1 119 ARG C 1 120 LEU N -60.20 -20.20 -38.74 -42.18 -23.96 . . 0 "[ . 1]"
181 . 1 119 ARG C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -85.40 -45.40 -71.16 -84.04 -68.07 . . 0 "[ . 1]"
182 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 LEU N -56.60 -16.60 -42.08 -43.84 -40.02 . . 0 "[ . 1]"
183 . 1 121 LEU C 1 122 GLY N 1 122 GLY CA 1 122 GLY C 55.30 102.50 94.27 87.40 103.24 0.74 8 0 "[ . 1]"
184 . 1 122 GLY N 1 122 GLY CA 1 122 GLY C 1 123 TYR N 1.70 44.70 32.15 13.51 42.19 . . 0 "[ . 1]"
185 . 1 122 GLY C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -102.10 -56.30 -101.32 -97.81 -100.53 1.31 8 0 "[ . 1]"
186 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 ASP N 116.30 176.30 117.09 116.35 115.85 1.33 8 0 "[ . 1]"
187 . 1 123 TYR C 1 124 ASP N 1 124 ASP CA 1 124 ASP C -91.40 -50.40 -85.15 -84.98 -86.62 0.49 8 0 "[ . 1]"
188 . 1 124 ASP N 1 124 ASP CA 1 124 ASP C 1 125 SER N 98.90 159.50 96.25 96.08 95.90 3.07 1 0 "[ . 1]"
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