NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381134 |
1iry   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1iry
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 177
_TA_constraint_stats_list.Viol_count 1688
_TA_constraint_stats_list.Viol_total 29202.77
_TA_constraint_stats_list.Viol_max 3.84
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 0.58
_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 5 ARG C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -135.40 -89.40 -86.68 -86.57 -86.63 3.40 14 0 "[ . 1 . 2 . 3]"
2 . 1 6 LEU C 1 7 TYR N 1 7 TYR CA 1 7 TYR C -162.90 -122.90 -122.49 -122.90 -121.88 1.02 20 0 "[ . 1 . 2 . 3]"
3 . 1 7 TYR C 1 8 THR N 1 8 THR CA 1 8 THR C -138.30 -98.30 -126.58 -125.57 -125.64 . . 0 "[ . 1 . 2 . 3]"
4 . 1 8 THR C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -156.10 -116.10 -152.95 -156.37 -116.03 0.27 16 0 "[ . 1 . 2 . 3]"
5 . 1 9 LEU C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -132.10 -92.10 -111.09 -111.48 -111.97 . . 0 "[ . 1 . 2 . 3]"
6 . 1 10 VAL C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -126.80 -86.80 -127.06 -127.37 -126.38 0.57 3 0 "[ . 1 . 2 . 3]"
7 . 1 12 VAL C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -134.80 -94.80 -109.32 -134.89 -94.63 0.17 26 0 "[ . 1 . 2 . 3]"
8 . 1 13 LEU C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -145.60 -86.60 -115.01 -104.77 -104.84 0.28 30 0 "[ . 1 . 2 . 3]"
9 . 1 16 GLN C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -142.10 -102.10 -137.64 -142.18 -142.24 0.19 1 0 "[ . 1 . 2 . 3]"
10 . 1 17 ARG C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -143.50 -103.50 -130.61 -140.02 -122.67 . . 0 "[ . 1 . 2 . 3]"
11 . 1 18 VAL C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -121.30 -81.30 -118.06 -121.29 -121.37 0.24 18 0 "[ . 1 . 2 . 3]"
12 . 1 21 GLY C 1 22 MET N 1 22 MET CA 1 22 MET C -113.50 -68.90 -110.16 -112.42 -112.92 0.25 25 0 "[ . 1 . 2 . 3]"
13 . 1 22 MET C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -123.40 -83.40 -87.59 -85.13 -86.09 0.42 27 0 "[ . 1 . 2 . 3]"
14 . 1 31 ARG C 1 32 TRP N 1 32 TRP CA 1 32 TRP C -110.80 -70.80 -97.39 -94.37 -95.23 0.39 20 0 "[ . 1 . 2 . 3]"
15 . 1 38 LYS C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -115.50 -75.50 -79.24 -89.35 -75.32 0.18 12 0 "[ . 1 . 2 . 3]"
16 . 1 42 GLY C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -125.60 -85.60 -126.50 -126.13 -126.52 1.21 5 0 "[ . 1 . 2 . 3]"
17 . 1 43 GLU C 1 44 THR N 1 44 THR CA 1 44 THR C -117.20 -74.80 -102.28 -112.52 -98.44 . . 0 "[ . 1 . 2 . 3]"
18 . 1 44 THR C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -83.00 -43.00 -50.28 -48.34 -49.11 . . 0 "[ . 1 . 2 . 3]"
19 . 1 45 ILE C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -81.50 -41.50 -75.11 -78.32 -72.51 . . 0 "[ . 1 . 2 . 3]"
20 . 1 47 ASP C 1 48 GLY N 1 48 GLY CA 1 48 GLY C -85.30 -45.30 -71.43 -67.44 -68.15 . . 0 "[ . 1 . 2 . 3]"
21 . 1 48 GLY C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -83.30 -43.30 -75.22 -74.47 -74.63 . . 0 "[ . 1 . 2 . 3]"
22 . 1 49 ALA C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -83.90 -43.90 -73.85 -72.92 -73.70 0.16 22 0 "[ . 1 . 2 . 3]"
23 . 1 50 ARG C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -81.20 -41.20 -61.21 -58.26 -59.14 . . 0 "[ . 1 . 2 . 3]"
24 . 1 51 ARG C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -83.80 -43.80 -84.25 -84.51 -84.00 0.71 5 0 "[ . 1 . 2 . 3]"
25 . 1 52 GLU C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -85.90 -45.90 -71.06 -68.13 -68.76 . . 0 "[ . 1 . 2 . 3]"
26 . 1 53 LEU C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -81.80 -41.80 -60.64 -60.15 -60.60 . . 0 "[ . 1 . 2 . 3]"
27 . 1 54 GLN C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -80.90 -40.90 -82.59 -82.54 -82.54 2.08 3 0 "[ . 1 . 2 . 3]"
28 . 1 55 GLU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -104.70 -64.70 -78.16 -75.44 -76.42 . . 0 "[ . 1 . 2 . 3]"
29 . 1 59 LEU C 1 60 THR N 1 60 THR CA 1 60 THR C -148.60 -82.40 -92.47 -93.01 -94.47 . . 0 "[ . 1 . 2 . 3]"
30 . 1 60 THR C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -144.60 -104.60 -121.40 -142.41 -105.19 . . 0 "[ . 1 . 2 . 3]"
31 . 1 64 LEU C 1 65 HIS N 1 65 HIS CA 1 65 HIS C -134.40 -82.60 -135.00 -135.31 -134.68 0.91 27 0 "[ . 1 . 2 . 3]"
32 . 1 68 GLY C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -131.60 -91.60 -122.79 -132.01 -91.72 0.41 24 0 "[ . 1 . 2 . 3]"
33 . 1 69 GLN C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -133.40 -93.40 -104.79 -119.61 -98.94 . . 0 "[ . 1 . 2 . 3]"
34 . 1 70 ILE C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -129.00 -89.00 -124.91 -129.19 -109.38 0.19 10 0 "[ . 1 . 2 . 3]"
35 . 1 71 VAL C 1 72 PHE N 1 72 PHE CA 1 72 PHE C -140.00 -100.00 -128.52 -127.66 -128.10 . . 0 "[ . 1 . 2 . 3]"
36 . 1 72 PHE C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -137.70 -97.70 -103.14 -101.54 -101.84 0.17 9 0 "[ . 1 . 2 . 3]"
37 . 1 73 GLU C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -122.60 -82.60 -88.48 -90.35 -92.99 0.41 28 0 "[ . 1 . 2 . 3]"
38 . 1 76 GLY C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -137.20 -97.20 -113.68 -109.17 -111.33 0.43 20 0 "[ . 1 . 2 . 3]"
39 . 1 80 LEU C 1 81 MET N 1 81 MET CA 1 81 MET C -147.10 -89.10 -145.93 -146.81 -147.09 0.47 11 0 "[ . 1 . 2 . 3]"
40 . 1 81 MET C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -127.80 -87.80 -103.84 -107.83 -97.84 . . 0 "[ . 1 . 2 . 3]"
41 . 1 82 ASP C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -118.70 -66.90 -110.76 -116.17 -104.91 . . 0 "[ . 1 . 2 . 3]"
42 . 1 84 HIS C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -116.80 -76.80 -113.29 -117.02 -101.81 0.22 18 0 "[ . 1 . 2 . 3]"
43 . 1 85 VAL C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -139.20 -99.20 -120.48 -137.13 -137.91 0.29 16 0 "[ . 1 . 2 . 3]"
44 . 1 86 PHE C 1 87 CYS N 1 87 CYS CA 1 87 CYS C -136.90 -96.90 -126.76 -116.44 -118.44 0.13 27 0 "[ . 1 . 2 . 3]"
45 . 1 90 SER C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -148.30 -104.10 -103.12 -103.86 -102.40 1.70 27 0 "[ . 1 . 2 . 3]"
46 . 1 97 GLU C 1 98 SER N 1 98 SER CA 1 98 SER C -132.60 -87.80 -88.87 -133.00 -87.29 0.51 6 0 "[ . 1 . 2 . 3]"
47 . 1 100 GLU C 1 101 MET N 1 101 MET CA 1 101 MET C -154.50 -107.90 -123.54 -115.39 -119.37 0.12 5 0 "[ . 1 . 2 . 3]"
48 . 1 102 ARG C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -92.70 -52.70 -73.80 -67.26 -70.82 . . 0 "[ . 1 . 2 . 3]"
49 . 1 103 PRO C 1 104 CYS N 1 104 CYS CA 1 104 CYS C -145.10 -80.10 -139.10 -143.78 -145.08 0.24 15 0 "[ . 1 . 2 . 3]"
50 . 1 106 PHE C 1 107 GLN N 1 107 GLN CA 1 107 GLN C -133.30 -75.70 -90.10 -106.21 -78.86 . . 0 "[ . 1 . 2 . 3]"
51 . 1 110 GLN C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -129.60 -73.80 -73.37 -72.99 -73.01 1.62 15 0 "[ . 1 . 2 . 3]"
52 . 1 112 PRO C 1 113 PHE N 1 113 PHE CA 1 113 PHE C -81.80 -41.80 -78.10 -82.22 -70.66 0.42 27 0 "[ . 1 . 2 . 3]"
53 . 1 119 ASP C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -83.80 -43.80 -48.42 -62.79 -43.59 0.21 24 0 "[ . 1 . 2 . 3]"
54 . 1 120 ASP C 1 121 SER N 1 121 SER CA 1 121 SER C -83.00 -43.00 -58.18 -59.56 -59.95 . . 0 "[ . 1 . 2 . 3]"
55 . 1 121 SER C 1 122 TYR N 1 122 TYR CA 1 122 TYR C -84.50 -44.50 -84.91 -85.71 -83.20 1.21 18 0 "[ . 1 . 2 . 3]"
56 . 1 123 TRP C 1 124 PHE N 1 124 PHE CA 1 124 PHE C -76.00 -36.00 -72.52 -76.71 -50.12 0.71 2 0 "[ . 1 . 2 . 3]"
57 . 1 124 PHE C 1 125 PRO N 1 125 PRO CA 1 125 PRO C -75.60 -35.60 -53.76 -63.94 -46.55 . . 0 "[ . 1 . 2 . 3]"
58 . 1 125 PRO C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -84.00 -44.00 -79.13 -76.42 -77.14 . . 0 "[ . 1 . 2 . 3]"
59 . 1 126 LEU C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -84.90 -44.90 -60.61 -72.85 -55.83 . . 0 "[ . 1 . 2 . 3]"
60 . 1 127 LEU C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -83.30 -43.30 -59.06 -71.88 -52.08 . . 0 "[ . 1 . 2 . 3]"
61 . 1 128 LEU C 1 129 GLN N 1 129 GLN CA 1 129 GLN C -100.30 -60.30 -82.55 -84.10 -84.70 . . 0 "[ . 1 . 2 . 3]"
62 . 1 130 LYS C 1 131 LYS N 1 131 LYS CA 1 131 LYS C -139.20 -87.20 -118.92 -119.30 -120.63 . . 0 "[ . 1 . 2 . 3]"
63 . 1 131 LYS C 1 132 LYS N 1 132 LYS CA 1 132 LYS C -122.80 -82.80 -107.06 -116.64 -82.97 . . 0 "[ . 1 . 2 . 3]"
64 . 1 132 LYS C 1 133 PHE N 1 133 PHE CA 1 133 PHE C -149.30 -109.30 -143.64 -138.19 -139.82 0.35 7 0 "[ . 1 . 2 . 3]"
65 . 1 133 PHE C 1 134 HIS N 1 134 HIS CA 1 134 HIS C -153.10 -113.10 -129.18 -132.22 -135.28 . . 0 "[ . 1 . 2 . 3]"
66 . 1 135 GLY C 1 136 TYR N 1 136 TYR CA 1 136 TYR C -120.80 -78.60 -114.15 -117.81 -120.87 0.40 25 0 "[ . 1 . 2 . 3]"
67 . 1 136 TYR C 1 137 PHE N 1 137 PHE CA 1 137 PHE C -141.00 -101.00 -115.06 -111.17 -111.58 . . 0 "[ . 1 . 2 . 3]"
68 . 1 137 PHE C 1 138 LYS N 1 138 LYS CA 1 138 LYS C -129.00 -89.00 -88.62 -88.56 -88.58 0.68 16 0 "[ . 1 . 2 . 3]"
69 . 1 138 LYS C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -143.40 -103.40 -107.64 -105.37 -106.52 0.28 28 0 "[ . 1 . 2 . 3]"
70 . 1 143 ASP C 1 144 THR N 1 144 THR CA 1 144 THR C -119.20 -78.60 -99.28 -119.50 -78.90 0.30 26 0 "[ . 1 . 2 . 3]"
71 . 1 144 THR C 1 145 ILE N 1 145 ILE CA 1 145 ILE C -109.60 -69.60 -110.19 -110.97 -109.48 1.37 26 0 "[ . 1 . 2 . 3]"
72 . 1 146 LEU C 1 147 ASP N 1 147 ASP CA 1 147 ASP C -153.70 -100.70 -153.85 -154.11 -154.14 0.66 10 0 "[ . 1 . 2 . 3]"
73 . 1 147 ASP C 1 148 TYR N 1 148 TYR CA 1 148 TYR C -137.60 -93.00 -139.45 -139.95 -138.94 2.35 17 0 "[ . 1 . 2 . 3]"
74 . 1 148 TYR C 1 149 THR N 1 149 THR CA 1 149 THR C -128.60 -88.60 -126.09 -127.41 -128.13 0.18 21 0 "[ . 1 . 2 . 3]"
75 . 1 149 THR C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -132.60 -87.00 -133.76 -134.33 -132.74 1.73 14 0 "[ . 1 . 2 . 3]"
76 . 1 150 LEU C 1 151 ARG N 1 151 ARG CA 1 151 ARG C -139.60 -99.60 -127.23 -128.86 -130.65 . . 0 "[ . 1 . 2 . 3]"
77 . 1 151 ARG C 1 152 GLU N 1 152 GLU CA 1 152 GLU C -114.70 -74.70 -92.43 -108.97 -74.35 0.35 17 0 "[ . 1 . 2 . 3]"
78 . 1 152 GLU C 1 153 VAL N 1 153 VAL CA 1 153 VAL C -153.60 -113.60 -138.51 -147.64 -121.76 . . 0 "[ . 1 . 2 . 3]"
79 . 1 15 PRO C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -160.00 -80.00 -160.36 -160.42 -160.44 1.05 30 0 "[ . 1 . 2 . 3]"
80 . 1 26 GLY C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -100.00 -20.00 -99.73 -100.19 -100.24 0.43 29 0 "[ . 1 . 2 . 3]"
81 . 1 28 GLY C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -100.00 -20.00 -48.22 -46.20 -52.39 . . 0 "[ . 1 . 2 . 3]"
82 . 1 30 GLY C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -160.00 -80.00 -127.98 -157.75 -79.96 0.04 22 0 "[ . 1 . 2 . 3]"
83 . 1 34 GLY C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -160.00 -80.00 -105.01 -120.17 -96.52 . . 0 "[ . 1 . 2 . 3]"
84 . 1 40 GLN C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -100.00 -20.00 -65.05 -63.57 -64.96 . . 0 "[ . 1 . 2 . 3]"
85 . 1 56 GLU C 1 57 SER N 1 57 SER CA 1 57 SER C -160.00 -80.00 -135.48 -144.32 -128.16 . . 0 "[ . 1 . 2 . 3]"
86 . 1 61 VAL C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -160.00 -80.00 -80.00 -79.86 -79.89 0.27 27 0 "[ . 1 . 2 . 3]"
87 . 1 66 LYS C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -160.00 -80.00 -125.92 -118.45 -120.37 . . 0 "[ . 1 . 2 . 3]"
88 . 1 88 THR C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -160.00 -80.00 -157.18 -153.24 -159.98 0.47 1 0 "[ . 1 . 2 . 3]"
89 . 1 91 ILE C 1 92 GLN N 1 92 GLN CA 1 92 GLN C -160.00 -80.00 -129.38 -105.27 -125.28 . . 0 "[ . 1 . 2 . 3]"
90 . 1 92 GLN C 1 93 GLY N 1 93 GLY CA 1 93 GLY C -100.00 -20.00 -49.61 -20.47 -50.54 0.62 22 0 "[ . 1 . 2 . 3]"
91 . 1 93 GLY C 1 94 THR N 1 94 THR CA 1 94 THR C -160.00 -80.00 -126.60 -160.42 -95.69 0.42 20 0 "[ . 1 . 2 . 3]"
92 . 1 95 PRO C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -160.00 -80.00 -76.81 -77.77 -76.16 3.84 28 0 "[ . 1 . 2 . 3]"
93 . 1 99 ASP C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -160.00 -80.00 -116.41 -108.64 -109.40 . . 0 "[ . 1 . 2 . 3]"
94 . 1 105 TRP C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -160.00 -80.00 -129.02 -150.60 -103.25 . . 0 "[ . 1 . 2 . 3]"
95 . 1 107 GLN C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -100.00 -20.00 -77.17 -94.26 -64.31 . . 0 "[ . 1 . 2 . 3]"
96 . 1 108 LEU C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -160.00 -80.00 -118.69 -126.99 -106.86 . . 0 "[ . 1 . 2 . 3]"
97 . 1 109 ASP C 1 110 GLN N 1 110 GLN CA 1 110 GLN C -160.00 -80.00 -145.64 -159.94 -131.39 . . 0 "[ . 1 . 2 . 3]"
98 . 1 139 PHE C 1 140 GLN N 1 140 GLN CA 1 140 GLN C -160.00 -80.00 -108.47 -140.21 -79.70 0.30 19 0 "[ . 1 . 2 . 3]"
99 . 1 142 GLN C 1 143 ASP N 1 143 ASP CA 1 143 ASP C -160.00 -80.00 -128.97 -160.51 -113.19 0.51 18 0 "[ . 1 . 2 . 3]"
100 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 TYR N 111.90 151.90 117.98 116.13 115.89 . . 0 "[ . 1 . 2 . 3]"
101 . 1 7 TYR N 1 7 TYR CA 1 7 TYR C 1 8 THR N 140.10 -179.90 -178.98 -179.06 -179.22 1.28 11 0 "[ . 1 . 2 . 3]"
102 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 LEU N 131.60 171.60 166.05 131.56 171.67 0.07 1 0 "[ . 1 . 2 . 3]"
103 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 VAL N 110.50 150.50 109.03 109.21 109.15 1.81 11 0 "[ . 1 . 2 . 3]"
104 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 LEU N 104.80 144.80 125.46 120.69 130.04 . . 0 "[ . 1 . 2 . 3]"
105 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 VAL N 113.80 153.80 112.79 112.89 112.84 1.36 24 0 "[ . 1 . 2 . 3]"
106 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 GLN N 118.10 158.10 132.64 117.97 117.96 0.45 8 0 "[ . 1 . 2 . 3]"
107 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 PRO N 105.20 156.40 157.22 156.85 157.92 1.52 30 0 "[ . 1 . 2 . 3]"
108 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 VAL N 120.80 160.80 161.00 161.33 161.30 0.89 7 0 "[ . 1 . 2 . 3]"
109 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 LEU N 118.50 158.50 155.04 155.87 155.27 0.10 22 0 "[ . 1 . 2 . 3]"
110 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 LEU N 107.50 147.50 116.31 120.98 118.58 0.08 3 0 "[ . 1 . 2 . 3]"
111 . 1 22 MET N 1 22 MET CA 1 22 MET C 1 23 LYS N 101.90 141.90 142.33 142.04 143.03 1.13 27 0 "[ . 1 . 2 . 3]"
112 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 LYS N 90.90 146.50 146.61 142.43 147.21 0.71 29 0 "[ . 1 . 2 . 3]"
113 . 1 32 TRP N 1 32 TRP CA 1 32 TRP C 1 33 ASN N 112.30 152.30 152.75 146.73 153.97 1.67 27 0 "[ . 1 . 2 . 3]"
114 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 GLN N 99.10 139.10 108.23 98.94 115.83 0.16 2 0 "[ . 1 . 2 . 3]"
115 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 THR N 132.50 172.50 172.94 171.86 173.35 0.85 15 0 "[ . 1 . 2 . 3]"
116 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 ILE N 130.80 177.60 142.13 139.01 144.34 . . 0 "[ . 1 . 2 . 3]"
117 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 GLU N -61.90 -21.90 -32.90 -32.52 -32.85 . . 0 "[ . 1 . 2 . 3]"
118 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ASP N -62.20 -22.20 -27.46 -34.22 -22.93 . . 0 "[ . 1 . 2 . 3]"
119 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 ALA N -59.80 -19.80 -35.18 -34.56 -34.87 . . 0 "[ . 1 . 2 . 3]"
120 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ARG N -62.40 -22.40 -35.32 -41.81 -29.86 . . 0 "[ . 1 . 2 . 3]"
121 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 ARG N -63.40 -23.40 -53.62 -56.92 -46.46 . . 0 "[ . 1 . 2 . 3]"
122 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 GLU N -58.30 -18.30 -34.46 -37.16 -27.51 . . 0 "[ . 1 . 2 . 3]"
123 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LEU N -59.50 -19.50 -20.62 -24.01 -19.34 0.16 23 0 "[ . 1 . 2 . 3]"
124 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 GLN N -59.40 -19.40 -48.94 -52.27 -46.47 . . 0 "[ . 1 . 2 . 3]"
125 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 GLU N -60.30 -20.30 -26.74 -31.03 -24.91 . . 0 "[ . 1 . 2 . 3]"
126 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 GLU N -62.00 -22.00 -22.45 -22.79 -23.21 0.31 5 0 "[ . 1 . 2 . 3]"
127 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 SER N -43.70 -3.70 -43.98 -44.28 -43.78 0.58 2 0 "[ . 1 . 2 . 3]"
128 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 VAL N 136.70 176.90 152.96 150.67 144.06 0.44 2 0 "[ . 1 . 2 . 3]"
129 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 ASP N 125.30 165.30 139.93 136.84 143.60 . . 0 "[ . 1 . 2 . 3]"
130 . 1 65 HIS N 1 65 HIS CA 1 65 HIS C 1 66 LYS N 101.70 141.70 101.20 101.21 101.21 0.74 18 0 "[ . 1 . 2 . 3]"
131 . 1 69 GLN N 1 69 GLN CA 1 69 GLN C 1 70 ILE N 114.50 154.50 115.73 114.54 114.45 0.56 16 0 "[ . 1 . 2 . 3]"
132 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 VAL N 109.90 149.90 145.45 128.62 150.14 0.24 20 0 "[ . 1 . 2 . 3]"
133 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 PHE N 109.10 149.10 148.88 149.28 149.26 0.38 3 0 "[ . 1 . 2 . 3]"
134 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 GLU N 118.20 158.20 120.63 118.10 118.08 0.37 22 0 "[ . 1 . 2 . 3]"
135 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 PHE N 106.80 146.80 124.44 110.69 133.73 . . 0 "[ . 1 . 2 . 3]"
136 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 VAL N 97.90 137.90 132.76 133.47 132.09 0.94 28 0 "[ . 1 . 2 . 3]"
137 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 PRO N 108.50 162.50 128.44 108.58 152.41 . . 0 "[ . 1 . 2 . 3]"
138 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 ASP N 112.30 152.30 111.54 110.93 114.53 1.37 13 0 "[ . 1 . 2 . 3]"
139 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 VAL N 103.10 143.10 102.88 102.04 107.29 1.06 28 0 "[ . 1 . 2 . 3]"
140 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 HIS N 117.10 157.10 117.20 116.59 122.10 0.51 9 0 "[ . 1 . 2 . 3]"
141 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 PHE N 102.40 142.40 120.67 102.24 137.99 0.16 3 0 "[ . 1 . 2 . 3]"
142 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 CYS N 125.90 165.90 140.38 125.67 151.17 0.23 2 0 "[ . 1 . 2 . 3]"
143 . 1 87 CYS N 1 87 CYS CA 1 87 CYS C 1 88 THR N 119.10 159.10 117.43 117.44 117.39 1.99 18 0 "[ . 1 . 2 . 3]"
144 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 GLN N 138.70 178.70 177.54 161.89 178.98 0.28 19 0 "[ . 1 . 2 . 3]"
145 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 ASP N 123.20 -173.00 -176.02 -175.53 -176.20 0.15 20 0 "[ . 1 . 2 . 3]"
146 . 1 101 MET N 1 101 MET CA 1 101 MET C 1 102 ARG N 123.90 163.90 159.63 159.26 159.11 0.08 28 0 "[ . 1 . 2 . 3]"
147 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 CYS N 123.60 163.60 152.92 123.50 161.86 0.10 19 0 "[ . 1 . 2 . 3]"
148 . 1 104 CYS N 1 104 CYS CA 1 104 CYS C 1 105 TRP N 119.70 159.70 122.64 119.35 130.83 0.35 25 0 "[ . 1 . 2 . 3]"
149 . 1 107 GLN N 1 107 GLN CA 1 107 GLN C 1 108 LEU N 130.20 -175.80 156.39 158.76 156.56 . . 0 "[ . 1 . 2 . 3]"
150 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 PRO N 98.60 147.40 126.61 126.23 126.12 . . 0 "[ . 1 . 2 . 3]"
151 . 1 113 PHE N 1 113 PHE CA 1 113 PHE C 1 114 LYS N -58.60 -18.60 -18.55 -18.26 -18.31 0.63 15 0 "[ . 1 . 2 . 3]"
152 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 SER N -62.60 -22.60 -53.56 -50.58 -51.86 . . 0 "[ . 1 . 2 . 3]"
153 . 1 121 SER N 1 121 SER CA 1 121 SER C 1 122 TYR N -57.70 -17.70 -17.42 -19.05 -16.75 0.95 10 0 "[ . 1 . 2 . 3]"
154 . 1 122 TYR N 1 122 TYR CA 1 122 TYR C 1 123 TRP N -51.00 -11.00 -30.46 -44.42 -14.41 . . 0 "[ . 1 . 2 . 3]"
155 . 1 124 PHE N 1 124 PHE CA 1 124 PHE C 1 125 PRO N -68.50 -28.50 -48.60 -46.39 -47.88 . . 0 "[ . 1 . 2 . 3]"
156 . 1 125 PRO N 1 125 PRO CA 1 125 PRO C 1 126 LEU N -57.50 -17.50 -32.44 -42.62 -23.26 . . 0 "[ . 1 . 2 . 3]"
157 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 LEU N -58.70 -18.70 -32.64 -31.77 -32.41 . . 0 "[ . 1 . 2 . 3]"
158 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 LEU N -61.10 -21.10 -53.03 -48.59 -50.44 . . 0 "[ . 1 . 2 . 3]"
159 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 GLN N -49.90 -9.90 -27.81 -28.88 -28.90 . . 0 "[ . 1 . 2 . 3]"
160 . 1 129 GLN N 1 129 GLN CA 1 129 GLN C 1 130 LYS N -41.80 2.40 -1.07 2.27 -3.79 0.68 28 0 "[ . 1 . 2 . 3]"
161 . 1 131 LYS N 1 131 LYS CA 1 131 LYS C 1 132 LYS N 119.10 159.10 157.52 138.63 159.33 0.23 21 0 "[ . 1 . 2 . 3]"
162 . 1 132 LYS N 1 132 LYS CA 1 132 LYS C 1 133 PHE N 125.10 165.10 132.35 125.01 142.12 0.09 2 0 "[ . 1 . 2 . 3]"
163 . 1 133 PHE N 1 133 PHE CA 1 133 PHE C 1 134 HIS N 130.90 170.90 165.56 151.83 171.31 0.41 18 0 "[ . 1 . 2 . 3]"
164 . 1 134 HIS N 1 134 HIS CA 1 134 HIS C 1 135 GLY N 125.30 165.30 125.26 125.11 125.06 0.53 10 0 "[ . 1 . 2 . 3]"
165 . 1 136 TYR N 1 136 TYR CA 1 136 TYR C 1 137 PHE N 110.80 150.80 113.82 110.51 119.50 0.29 21 0 "[ . 1 . 2 . 3]"
166 . 1 137 PHE N 1 137 PHE CA 1 137 PHE C 1 138 LYS N 114.40 154.40 130.31 130.64 129.25 . . 0 "[ . 1 . 2 . 3]"
167 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 PHE N 103.40 143.40 129.99 130.00 129.80 . . 0 "[ . 1 . 2 . 3]"
168 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 GLN N 123.90 163.90 158.95 153.29 150.33 0.44 21 0 "[ . 1 . 2 . 3]"
169 . 1 144 THR N 1 144 THR CA 1 144 THR C 1 145 ILE N 97.90 137.90 135.20 131.22 137.98 0.08 30 0 "[ . 1 . 2 . 3]"
170 . 1 145 ILE N 1 145 ILE CA 1 145 ILE C 1 146 LEU N 104.00 144.00 138.56 143.09 141.58 0.15 12 0 "[ . 1 . 2 . 3]"
171 . 1 147 ASP N 1 147 ASP CA 1 147 ASP C 1 148 TYR N 134.30 174.30 137.65 139.20 138.97 0.12 11 0 "[ . 1 . 2 . 3]"
172 . 1 148 TYR N 1 148 TYR CA 1 148 TYR C 1 149 THR N 116.60 156.60 129.98 116.62 135.59 . . 0 "[ . 1 . 2 . 3]"
173 . 1 149 THR N 1 149 THR CA 1 149 THR C 1 150 LEU N 105.90 145.90 145.00 144.67 144.43 0.58 29 0 "[ . 1 . 2 . 3]"
174 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 ARG N 107.00 147.00 122.85 124.39 124.23 . . 0 "[ . 1 . 2 . 3]"
175 . 1 151 ARG N 1 151 ARG CA 1 151 ARG C 1 152 GLU N 119.90 159.90 142.43 147.29 128.85 0.78 22 0 "[ . 1 . 2 . 3]"
176 . 1 152 GLU N 1 152 GLU CA 1 152 GLU C 1 153 VAL N 114.30 154.30 145.47 147.32 142.23 . . 0 "[ . 1 . 2 . 3]"
177 . 1 153 VAL N 1 153 VAL CA 1 153 VAL C 1 154 ASP N 134.80 174.80 154.65 138.55 174.90 0.10 28 0 "[ . 1 . 2 . 3]"
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