NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655269 |
6m6e   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6m6e
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 212
_TA_constraint_stats_list.Viol_count 136
_TA_constraint_stats_list.Viol_total 1136.64
_TA_constraint_stats_list.Viol_max 3.77
_TA_constraint_stats_list.Viol_rms 0.27
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.84
_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 3 VAL C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -147.80 -98.20 -136.79 -135.80 -137.59 . . 0 "[ . 1]"
2 . 1 4 ARG N 1 4 ARG CA 1 4 ARG C 1 5 GLN N 118.70 162.30 151.09 147.38 159.98 . . 0 "[ . 1]"
3 . 1 4 ARG C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -124.20 -84.20 -101.09 -94.29 -102.24 . . 0 "[ . 1]"
4 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 ARG N 109.80 149.80 123.58 122.76 121.45 . . 0 "[ . 1]"
5 . 1 5 GLN C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -149.50 -109.50 -149.08 -150.62 -145.62 1.12 4 0 "[ . 1]"
6 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 TYR N 129.30 169.30 153.83 150.72 157.14 . . 0 "[ . 1]"
7 . 1 6 ARG C 1 7 TYR N 1 7 TYR CA 1 7 TYR C -134.70 -91.70 -91.60 -93.83 -89.21 2.49 3 0 "[ . 1]"
8 . 1 7 TYR N 1 7 TYR CA 1 7 TYR C 1 8 LEU N 105.10 145.10 140.36 134.77 143.61 . . 0 "[ . 1]"
9 . 1 7 TYR C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -124.20 -84.20 -100.05 -106.16 -94.66 . . 0 "[ . 1]"
10 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 TYR N 104.90 144.90 110.40 104.21 116.45 0.69 7 0 "[ . 1]"
11 . 1 8 LEU C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -134.90 -94.90 -130.32 -135.17 -124.22 0.27 5 0 "[ . 1]"
12 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 THR N 101.60 150.80 140.48 139.63 137.59 . . 0 "[ . 1]"
13 . 1 9 TYR C 1 10 THR N 1 10 THR CA 1 10 THR C -127.30 -87.30 -119.29 -107.60 -112.40 0.94 9 0 "[ . 1]"
14 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 ASP N 99.90 159.10 154.73 156.78 155.56 1.34 9 0 "[ . 1]"
15 . 1 11 ASP C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -107.50 -42.10 -78.20 -107.67 -52.94 0.17 6 0 "[ . 1]"
16 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 ALA N -56.60 24.20 -2.70 4.12 -4.84 0.98 6 0 "[ . 1]"
17 . 1 12 ASP C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -86.70 -46.70 -64.02 -80.63 -46.55 0.15 6 0 "[ . 1]"
18 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 GLN N -51.10 -11.10 -27.26 -50.62 -8.55 2.55 1 0 "[ . 1]"
19 . 1 13 ALA C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -93.00 -53.00 -64.05 -95.90 -51.26 2.90 7 0 "[ . 1]"
20 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 GLN N -46.40 -2.40 -38.18 -47.28 -12.67 0.88 7 0 "[ . 1]"
21 . 1 14 GLN C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -91.70 -51.70 -75.64 -91.36 -59.73 . . 0 "[ . 1]"
22 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 THR N -44.10 -4.10 -33.43 -45.38 -2.38 1.72 6 0 "[ . 1]"
23 . 1 17 GLU C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -179.70 -90.90 -163.80 -167.27 -168.82 . . 0 "[ . 1]"
24 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 HIS N 134.10 179.70 158.26 136.02 -178.97 1.33 4 0 "[ . 1]"
25 . 1 19 HIS C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -99.40 -53.40 -70.09 -80.71 -62.03 . . 0 "[ . 1]"
26 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 GLU N 109.80 157.60 126.96 132.40 129.84 . . 0 "[ . 1]"
27 . 1 20 LEU C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -155.50 -105.30 -130.90 -137.18 -123.05 . . 0 "[ . 1]"
28 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 ILE N 105.40 160.20 141.50 138.37 136.82 . . 0 "[ . 1]"
29 . 1 21 GLU C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -132.00 -50.40 -106.21 -121.83 -99.02 . . 0 "[ . 1]"
30 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 ARG N 100.70 160.90 124.56 118.58 128.75 . . 0 "[ . 1]"
31 . 1 22 ILE C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -97.10 -57.10 -80.88 -90.98 -74.82 . . 0 "[ . 1]"
32 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 GLU N 139.70 -174.10 157.05 158.55 157.22 . . 0 "[ . 1]"
33 . 1 23 ARG C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -84.30 -44.30 -68.52 -68.27 -68.78 . . 0 "[ . 1]"
34 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 ASP N -42.20 -2.20 -26.61 -24.47 -25.43 . . 0 "[ . 1]"
35 . 1 24 GLU C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -107.20 -67.20 -71.37 -68.22 -71.34 . . 0 "[ . 1]"
36 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 GLY N -17.30 22.70 -9.27 -14.02 -5.94 . . 0 "[ . 1]"
37 . 1 25 ASP C 1 26 GLY N 1 26 GLY CA 1 26 GLY C 68.60 108.60 95.43 92.77 100.55 . . 0 "[ . 1]"
38 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 THR N -19.10 20.90 1.03 -0.76 -2.37 . . 0 "[ . 1]"
39 . 1 26 GLY C 1 27 THR N 1 27 THR CA 1 27 THR C -118.60 -55.40 -82.19 -84.82 -80.27 . . 0 "[ . 1]"
40 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 VAL N 123.40 -175.80 161.66 156.80 165.34 . . 0 "[ . 1]"
41 . 1 27 THR C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -144.00 -104.00 -131.62 -130.26 -131.17 . . 0 "[ . 1]"
42 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLY N 110.80 172.40 152.86 136.72 160.35 . . 0 "[ . 1]"
43 . 1 29 GLY C 1 30 GLY N 1 30 GLY CA 1 30 GLY C -146.60 -73.60 -81.59 -81.75 -84.14 . . 0 "[ . 1]"
44 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 ALA N 121.20 178.40 175.50 174.07 172.53 0.64 7 0 "[ . 1]"
45 . 1 30 GLY C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -161.00 -86.20 -138.84 -146.06 -131.33 . . 0 "[ . 1]"
46 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ALA N 140.80 -178.00 155.47 144.85 168.59 . . 0 "[ . 1]"
47 . 1 31 ALA C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -84.60 -44.60 -62.65 -66.62 -59.69 . . 0 "[ . 1]"
48 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ASP N -41.90 -1.90 -36.40 -27.67 -35.09 . . 0 "[ . 1]"
49 . 1 35 SER C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -76.00 -36.00 -49.88 -50.12 -53.68 . . 0 "[ . 1]"
50 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 GLU N -53.60 -13.60 -33.86 -35.38 -35.62 . . 0 "[ . 1]"
51 . 1 36 PRO C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -90.20 -50.20 -67.84 -76.50 -53.74 . . 0 "[ . 1]"
52 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 SER N -36.30 3.70 -14.86 -6.97 -8.16 . . 0 "[ . 1]"
53 . 1 37 GLU C 1 38 SER N 1 38 SER CA 1 38 SER C -117.70 -77.70 -84.58 -90.22 -80.29 . . 0 "[ . 1]"
54 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 LEU N -17.50 22.50 -11.37 -16.91 -8.41 . . 0 "[ . 1]"
55 . 1 38 SER C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -104.60 -54.40 -77.03 -78.86 -80.43 . . 0 "[ . 1]"
56 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 LEU N 109.70 149.70 122.59 123.71 121.98 . . 0 "[ . 1]"
57 . 1 39 LEU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -138.20 -98.20 -123.10 -121.84 -122.37 . . 0 "[ . 1]"
58 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 GLN N 109.00 168.60 127.31 129.97 129.15 . . 0 "[ . 1]"
59 . 1 40 LEU C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -150.20 -76.40 -79.59 -74.42 -75.53 1.98 2 0 "[ . 1]"
60 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 LEU N 99.60 158.20 113.31 115.73 113.83 . . 0 "[ . 1]"
61 . 1 41 GLN C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -122.40 -79.80 -86.39 -90.33 -81.18 . . 0 "[ . 1]"
62 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 LYS N 103.90 143.90 115.31 111.91 111.21 . . 0 "[ . 1]"
63 . 1 42 LEU C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -150.60 -96.00 -111.89 -122.56 -105.40 . . 0 "[ . 1]"
64 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 ALA N 104.60 166.80 136.16 120.57 147.23 . . 0 "[ . 1]"
65 . 1 43 LYS C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -94.70 -54.30 -91.18 -95.28 -95.70 1.36 1 0 "[ . 1]"
66 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 LEU N 101.90 156.10 112.89 100.58 126.79 1.32 3 0 "[ . 1]"
67 . 1 45 LEU C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -178.30 -39.70 -131.86 -126.48 -129.05 . . 0 "[ . 1]"
68 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 PRO N 125.30 178.70 158.98 157.17 153.72 . . 0 "[ . 1]"
69 . 1 46 LYS C 1 47 PRO N 1 47 PRO CA 1 47 PRO C -72.80 -32.80 -50.59 -65.15 -41.48 . . 0 "[ . 1]"
70 . 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 GLY N 106.60 146.60 109.49 106.58 113.50 0.02 9 0 "[ . 1]"
71 . 1 47 PRO C 1 48 GLY N 1 48 GLY CA 1 48 GLY C 65.90 105.90 99.75 93.20 104.10 . . 0 "[ . 1]"
72 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 VAL N -19.60 20.40 -16.59 -13.31 -16.79 1.12 5 0 "[ . 1]"
73 . 1 48 GLY C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -149.10 -72.50 -111.25 -113.70 -115.57 . . 0 "[ . 1]"
74 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 ILE N 115.10 162.30 129.94 125.90 135.32 . . 0 "[ . 1]"
75 . 1 49 VAL C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -153.70 -113.70 -132.20 -132.56 -134.31 . . 0 "[ . 1]"
76 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 GLN N 130.30 172.30 166.04 162.54 168.74 . . 0 "[ . 1]"
77 . 1 50 ILE C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -151.00 -105.60 -128.30 -127.94 -129.96 . . 0 "[ . 1]"
78 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 ILE N 123.70 163.70 153.57 152.38 152.13 . . 0 "[ . 1]"
79 . 1 51 GLN C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -128.80 -88.80 -127.20 -125.72 -128.07 1.32 9 0 "[ . 1]"
80 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 LEU N 101.60 141.60 127.88 127.95 125.61 . . 0 "[ . 1]"
81 . 1 52 ILE C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -139.90 -96.70 -130.21 -134.33 -126.66 . . 0 "[ . 1]"
82 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 GLY N 109.40 149.40 120.74 119.48 118.63 . . 0 "[ . 1]"
83 . 1 53 LEU C 1 54 GLY N 1 54 GLY CA 1 54 GLY C -109.50 -48.70 -72.23 -75.83 -69.45 . . 0 "[ . 1]"
84 . 1 54 GLY N 1 54 GLY CA 1 54 GLY C 1 55 VAL N 112.60 -177.00 129.62 125.45 133.51 . . 0 "[ . 1]"
85 . 1 54 GLY C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -85.30 -45.30 -69.09 -70.08 -71.82 . . 0 "[ . 1]"
86 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 LYS N -51.10 -11.10 -43.81 -42.67 -43.73 . . 0 "[ . 1]"
87 . 1 55 VAL C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -89.30 -49.30 -65.70 -64.61 -64.71 . . 0 "[ . 1]"
88 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 THR N -53.80 -13.80 -47.96 -50.10 -42.07 . . 0 "[ . 1]"
89 . 1 56 LYS C 1 57 THR N 1 57 THR CA 1 57 THR C -130.40 -90.40 -92.36 -101.80 -88.65 1.75 10 0 "[ . 1]"
90 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 SER N -28.10 11.90 -16.42 -23.98 0.31 . . 0 "[ . 1]"
91 . 1 57 THR C 1 58 SER N 1 58 SER CA 1 58 SER C 36.20 76.20 59.39 60.45 59.57 . . 0 "[ . 1]"
92 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 ARG N 21.60 61.60 28.98 28.42 27.46 . . 0 "[ . 1]"
93 . 1 58 SER C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -154.70 -91.50 -104.51 -107.34 -100.26 . . 0 "[ . 1]"
94 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 PHE N 131.50 171.50 141.35 134.57 146.24 . . 0 "[ . 1]"
95 . 1 59 ARG C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -128.60 -67.20 -89.45 -87.43 -88.13 . . 0 "[ . 1]"
96 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 LEU N 105.80 145.80 115.54 111.07 120.97 . . 0 "[ . 1]"
97 . 1 60 PHE C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -130.70 -46.30 -69.36 -69.28 -71.77 . . 0 "[ . 1]"
98 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 CYS N 107.40 147.40 111.60 106.51 120.82 0.89 9 0 "[ . 1]"
99 . 1 61 LEU C 1 62 CYS N 1 62 CYS CA 1 62 CYS C -157.50 -109.50 -126.09 -122.40 -125.79 . . 0 "[ . 1]"
100 . 1 62 CYS N 1 62 CYS CA 1 62 CYS C 1 63 GLN N 136.10 177.50 147.85 144.90 154.94 . . 0 "[ . 1]"
101 . 1 62 CYS C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -155.20 -105.80 -105.12 -104.64 -104.65 1.68 8 0 "[ . 1]"
102 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 ARG N 111.40 170.80 132.60 132.61 131.65 . . 0 "[ . 1]"
103 . 1 63 GLN C 1 64 ARG N 1 64 ARG CA 1 64 ARG C -115.50 -54.90 -82.86 -89.63 -75.49 . . 0 "[ . 1]"
104 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 PRO N 134.00 -178.40 164.31 167.92 165.68 . . 0 "[ . 1]"
105 . 1 64 ARG C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -76.00 -36.00 -53.35 -51.86 -52.81 . . 0 "[ . 1]"
106 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 ASP N -45.40 -5.40 -31.03 -34.92 -19.62 . . 0 "[ . 1]"
107 . 1 65 PRO C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -102.30 -62.30 -69.00 -73.49 -63.85 . . 0 "[ . 1]"
108 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 GLY N -21.20 18.80 -11.30 -11.76 -22.11 0.91 1 0 "[ . 1]"
109 . 1 66 ASP C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 73.40 113.40 89.21 84.57 104.23 . . 0 "[ . 1]"
110 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 ALA N -28.20 11.80 8.51 2.88 12.09 0.29 5 0 "[ . 1]"
111 . 1 67 GLY C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -90.20 -50.20 -84.29 -83.21 -88.68 0.09 10 0 "[ . 1]"
112 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 LEU N 121.70 161.70 148.26 137.89 161.94 0.24 9 0 "[ . 1]"
113 . 1 68 ALA C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -139.50 -74.10 -102.65 -116.48 -92.74 . . 0 "[ . 1]"
114 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 TYR N 117.60 157.60 139.16 135.32 143.78 . . 0 "[ . 1]"
115 . 1 69 LEU C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -170.40 -130.40 -157.13 -154.93 -156.86 . . 0 "[ . 1]"
116 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 GLY N 141.80 -178.20 148.54 148.37 147.11 . . 0 "[ . 1]"
117 . 1 70 TYR C 1 71 GLY N 1 71 GLY CA 1 71 GLY C -143.80 -80.00 -88.91 -98.33 -79.92 0.08 1 0 "[ . 1]"
118 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 SER N 111.60 174.40 142.59 143.67 142.44 . . 0 "[ . 1]"
119 . 1 71 GLY C 1 72 SER N 1 72 SER CA 1 72 SER C -143.80 -89.40 -137.34 -145.09 -130.79 1.29 6 0 "[ . 1]"
120 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 LEU N 114.70 162.50 156.28 155.08 145.02 0.47 5 0 "[ . 1]"
121 . 1 73 LEU C 1 74 HIS N 1 74 HIS CA 1 74 HIS C -168.60 -97.60 -108.18 -130.71 -96.26 1.34 1 0 "[ . 1]"
122 . 1 74 HIS N 1 74 HIS CA 1 74 HIS C 1 75 PHE N 106.40 176.80 146.26 129.55 161.85 . . 0 "[ . 1]"
123 . 1 75 PHE C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -138.70 -75.10 -136.78 -136.77 -137.77 0.71 8 0 "[ . 1]"
124 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 PRO N 85.00 137.60 99.56 96.63 103.42 . . 0 "[ . 1]"
125 . 1 76 ASP C 1 77 PRO N 1 77 PRO CA 1 77 PRO C -77.50 -37.50 -55.56 -52.76 -62.72 . . 0 "[ . 1]"
126 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 GLU N -48.40 -8.40 -36.11 -40.89 -24.36 . . 0 "[ . 1]"
127 . 1 77 PRO C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -86.20 -46.20 -58.53 -60.16 -61.48 . . 0 "[ . 1]"
128 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ALA N -45.30 -4.30 -21.61 -22.69 -24.51 . . 0 "[ . 1]"
129 . 1 78 GLU C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -138.10 -46.30 -131.73 -138.21 -123.29 0.11 8 0 "[ . 1]"
130 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 CYS N -35.80 5.80 -19.38 -21.17 -28.01 0.15 7 0 "[ . 1]"
131 . 1 79 ALA C 1 80 CYS N 1 80 CYS CA 1 80 CYS C -123.00 -80.00 -100.73 -108.91 -79.70 0.30 7 0 "[ . 1]"
132 . 1 80 CYS N 1 80 CYS CA 1 80 CYS C 1 81 SER N -11.80 28.20 8.88 14.05 10.41 . . 0 "[ . 1]"
133 . 1 80 CYS C 1 81 SER N 1 81 SER CA 1 81 SER C -151.10 -65.90 -109.52 -113.30 -107.02 . . 0 "[ . 1]"
134 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 PHE N 111.10 160.90 134.65 121.29 146.45 . . 0 "[ . 1]"
135 . 1 81 SER C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -153.20 -95.20 -137.65 -135.31 -140.84 . . 0 "[ . 1]"
136 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 ARG N 115.10 157.90 145.85 140.11 151.18 . . 0 "[ . 1]"
137 . 1 82 PHE C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -126.70 -74.10 -88.20 -89.32 -90.09 . . 0 "[ . 1]"
138 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 GLU N 108.00 148.00 140.94 133.74 130.69 0.24 6 0 "[ . 1]"
139 . 1 83 ARG C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -131.80 -91.80 -90.41 -93.51 -89.19 2.61 9 0 "[ . 1]"
140 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 LEU N 102.70 142.70 122.74 121.28 118.82 . . 0 "[ . 1]"
141 . 1 84 GLU C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -124.30 -84.30 -110.25 -120.23 -101.38 . . 0 "[ . 1]"
142 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 LEU N 104.80 144.80 118.35 109.79 107.70 . . 0 "[ . 1]"
143 . 1 85 LEU C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -120.20 -68.60 -105.09 -119.90 -90.38 . . 0 "[ . 1]"
144 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N 101.50 141.50 123.08 110.51 131.63 . . 0 "[ . 1]"
145 . 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -105.30 -65.30 -90.55 -88.85 -95.69 . . 0 "[ . 1]"
146 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 GLU N 139.90 179.90 146.94 144.29 142.23 . . 0 "[ . 1]"
147 . 1 87 LEU C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -83.90 -43.90 -60.05 -59.56 -60.56 . . 0 "[ . 1]"
148 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ASP N -40.90 -0.90 -27.89 -21.91 -24.27 . . 0 "[ . 1]"
149 . 1 88 GLU C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -106.70 -66.70 -68.18 -73.02 -65.92 0.78 10 0 "[ . 1]"
150 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 GLY N -16.20 23.80 -10.25 -16.29 -7.77 0.09 2 0 "[ . 1]"
151 . 1 89 ASP C 1 90 GLY N 1 90 GLY CA 1 90 GLY C 72.70 112.70 93.11 98.62 95.47 . . 0 "[ . 1]"
152 . 1 90 GLY N 1 90 GLY CA 1 90 GLY C 1 91 TYR N -27.20 21.60 20.17 12.09 22.35 0.75 10 0 "[ . 1]"
153 . 1 90 GLY C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -127.40 -46.40 -106.47 -94.24 -104.16 . . 0 "[ . 1]"
154 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 ASN N 123.50 169.90 150.67 146.73 143.66 . . 0 "[ . 1]"
155 . 1 91 TYR C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -153.40 -98.20 -121.03 -116.99 -117.84 . . 0 "[ . 1]"
156 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 VAL N 130.90 171.90 141.55 135.74 147.47 . . 0 "[ . 1]"
157 . 1 92 ASN C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -156.20 -116.20 -136.52 -137.11 -140.75 . . 0 "[ . 1]"
158 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 TYR N 130.60 170.60 159.20 154.70 161.83 . . 0 "[ . 1]"
159 . 1 93 VAL C 1 94 TYR N 1 94 TYR CA 1 94 TYR C -151.90 -95.10 -125.58 -126.73 -128.23 . . 0 "[ . 1]"
160 . 1 94 TYR N 1 94 TYR CA 1 94 TYR C 1 95 GLN N 116.00 175.40 145.93 145.84 143.02 . . 0 "[ . 1]"
161 . 1 94 TYR C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -165.20 -122.00 -148.84 -156.72 -141.28 . . 0 "[ . 1]"
162 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 SER N 133.90 173.90 137.84 135.04 143.57 . . 0 "[ . 1]"
163 . 1 95 GLN C 1 96 SER N 1 96 SER CA 1 96 SER C -96.00 -49.20 -65.75 -65.79 -67.38 . . 0 "[ . 1]"
164 . 1 96 SER N 1 96 SER CA 1 96 SER C 1 97 GLU N 96.00 168.20 122.48 107.26 136.00 . . 0 "[ . 1]"
165 . 1 96 SER C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -85.30 -45.30 -76.87 -71.61 -82.57 1.29 10 0 "[ . 1]"
166 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 ALA N -52.30 -12.30 -29.25 -36.50 -18.96 . . 0 "[ . 1]"
167 . 1 97 GLU C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -91.50 -49.90 -59.93 -62.65 -56.02 . . 0 "[ . 1]"
168 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 HIS N -57.90 -17.90 -49.17 -49.65 -50.91 . . 0 "[ . 1]"
169 . 1 98 ALA C 1 99 HIS N 1 99 HIS CA 1 99 HIS C -143.20 -89.60 -114.56 -110.03 -119.92 . . 0 "[ . 1]"
170 . 1 99 HIS N 1 99 HIS CA 1 99 HIS C 1 100 GLY N -27.50 12.50 -12.97 -23.81 5.16 . . 0 "[ . 1]"
171 . 1 99 HIS C 1 100 GLY N 1 100 GLY CA 1 100 GLY C 50.50 90.50 78.66 80.60 77.19 . . 0 "[ . 1]"
172 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 LEU N 8.90 48.90 22.85 19.02 30.19 . . 0 "[ . 1]"
173 . 1 100 GLY C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -120.20 -76.80 -79.46 -76.21 -76.68 0.61 2 0 "[ . 1]"
174 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 PRO N 106.70 169.70 121.46 129.54 127.53 . . 0 "[ . 1]"
175 . 1 101 LEU C 1 102 PRO N 1 102 PRO CA 1 102 PRO C -87.30 -47.30 -61.91 -72.21 -74.41 . . 0 "[ . 1]"
176 . 1 102 PRO N 1 102 PRO CA 1 102 PRO C 1 103 LEU N 127.40 167.40 145.64 143.39 150.20 . . 0 "[ . 1]"
177 . 1 102 PRO C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -133.50 -39.90 -88.50 -92.86 -83.58 . . 0 "[ . 1]"
178 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 HIS N 107.70 147.70 127.04 123.88 132.33 . . 0 "[ . 1]"
179 . 1 103 LEU C 1 104 HIS N 1 104 HIS CA 1 104 HIS C -168.60 -60.20 -154.02 -157.46 -149.91 . . 0 "[ . 1]"
180 . 1 104 HIS N 1 104 HIS CA 1 104 HIS C 1 105 LEU N 102.90 -173.70 157.06 161.06 155.57 . . 0 "[ . 1]"
181 . 1 104 HIS C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -131.10 -51.50 -71.61 -69.43 -72.73 . . 0 "[ . 1]"
182 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 PRO N 109.90 -175.10 147.00 149.23 148.25 . . 0 "[ . 1]"
183 . 1 105 LEU C 1 106 PRO N 1 106 PRO CA 1 106 PRO C -74.60 -34.60 -65.51 -65.31 -68.35 0.04 6 0 "[ . 1]"
184 . 1 106 PRO N 1 106 PRO CA 1 106 PRO C 1 107 GLY N 113.60 153.60 151.91 155.42 154.84 1.82 2 0 "[ . 1]"
185 . 1 106 PRO C 1 107 GLY N 1 107 GLY CA 1 107 GLY C 70.40 110.40 98.84 98.79 97.26 1.24 2 0 "[ . 1]"
186 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 ASN N -28.40 18.40 1.98 18.56 6.69 3.77 10 0 "[ . 1]"
187 . 1 113 ARG C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -157.80 -46.00 -136.50 -157.03 -76.42 . . 0 "[ . 1]"
188 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 PRO N 35.90 167.90 110.01 71.88 154.70 . . 0 "[ . 1]"
189 . 1 118 ARG C 1 119 GLY N 1 119 GLY CA 1 119 GLY C -121.10 -54.50 -86.32 -70.51 -82.14 0.94 6 0 "[ . 1]"
190 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 PRO N 142.50 -162.50 161.62 162.09 151.52 1.42 1 0 "[ . 1]"
191 . 1 119 GLY C 1 120 PRO N 1 120 PRO CA 1 120 PRO C -87.20 -47.20 -72.17 -71.68 -72.81 . . 0 "[ . 1]"
192 . 1 120 PRO N 1 120 PRO CA 1 120 PRO C 1 121 ALA N 131.20 171.20 154.81 148.53 164.40 . . 0 "[ . 1]"
193 . 1 120 PRO C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -148.50 -25.50 -72.92 -75.56 -79.05 . . 0 "[ . 1]"
194 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 ARG N 111.50 166.30 127.28 130.67 127.51 . . 0 "[ . 1]"
195 . 1 121 ALA C 1 122 ARG N 1 122 ARG CA 1 122 ARG C -125.70 -72.30 -77.18 -83.22 -72.28 0.02 1 0 "[ . 1]"
196 . 1 122 ARG N 1 122 ARG CA 1 122 ARG C 1 123 PHE N 109.60 149.60 129.90 120.06 140.94 . . 0 "[ . 1]"
197 . 1 122 ARG C 1 123 PHE N 1 123 PHE CA 1 123 PHE C -141.40 -95.60 -117.60 -105.87 -112.04 . . 0 "[ . 1]"
198 . 1 123 PHE N 1 123 PHE CA 1 123 PHE C 1 124 LEU N 113.50 153.50 145.08 132.68 153.53 0.03 7 0 "[ . 1]"
199 . 1 123 PHE C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -140.90 -96.30 -118.97 -106.88 -110.80 . . 0 "[ . 1]"
200 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 PRO N 90.20 146.00 107.37 96.62 90.75 . . 0 "[ . 1]"
201 . 1 124 LEU C 1 125 PRO N 1 125 PRO CA 1 125 PRO C -93.50 -53.50 -73.61 -81.73 -59.36 . . 0 "[ . 1]"
202 . 1 125 PRO N 1 125 PRO CA 1 125 PRO C 1 126 LEU N 110.10 163.50 123.08 113.64 137.68 . . 0 "[ . 1]"
203 . 1 125 PRO C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -121.70 -79.10 -101.01 -107.36 -111.50 . . 0 "[ . 1]"
204 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 PRO N 107.10 149.50 147.80 151.38 150.01 1.88 2 0 "[ . 1]"
205 . 1 126 LEU C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -78.10 -38.10 -58.39 -67.24 -47.49 . . 0 "[ . 1]"
206 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 GLY N 121.30 161.30 127.73 123.23 133.97 . . 0 "[ . 1]"
207 . 1 33 ASP C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -104.60 -38.00 -62.13 -80.31 -46.42 . . 0 "[ . 1]"
208 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 SER N 31.50 -133.90 99.92 89.04 108.57 . . 0 "[ . 1]"
209 . 1 34 GLN C 1 35 SER N 1 35 SER CA 1 35 SER C -127.70 -31.10 -106.13 -95.58 -99.45 . . 0 "[ . 1]"
210 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 PRO N 82.70 -165.70 160.31 150.83 176.79 . . 0 "[ . 1]"
211 . 1 74 HIS C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -105.20 -43.60 -91.65 -91.29 -95.15 . . 0 "[ . 1]"
212 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ASP N 96.20 156.60 130.86 126.44 134.04 . . 0 "[ . 1]"
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