NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444645 |
2khs   |
15357 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2khs
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 185
_TA_constraint_stats_list.Viol_count 584
_TA_constraint_stats_list.Viol_total 9004.66
_TA_constraint_stats_list.Viol_max 4.99
_TA_constraint_stats_list.Viol_rms 0.39
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 0.77
_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 HIS N 1 8 HIS CA 1 8 HIS C -123.00 -73.00 -100.29 -79.30 -86.75 2.20 14 0 "[ . 1 . 2]"
2 . 1 8 HIS C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -123.00 -67.00 -103.64 -111.48 -113.80 1.71 20 0 "[ . 1 . 2]"
3 . 1 9 LYS C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -138.00 -88.00 -133.21 -139.97 -112.73 1.97 16 0 "[ . 1 . 2]"
4 . 1 12 ALA C 1 13 THR N 1 13 THR CA 1 13 THR C -134.00 -84.00 -102.52 -117.13 -90.23 . . 0 "[ . 1 . 2]"
5 . 1 13 THR C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -98.00 -48.00 -79.51 -88.69 -66.56 . . 0 "[ . 1 . 2]"
6 . 1 14 LEU C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -117.00 -67.00 -95.28 -107.11 -84.72 . . 0 "[ . 1 . 2]"
7 . 1 15 ILE C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -179.00 -129.00 -167.75 -179.02 -152.57 0.02 4 0 "[ . 1 . 2]"
8 . 1 16 LYS C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -111.00 -61.00 -101.02 -97.75 -99.93 1.54 6 0 "[ . 1 . 2]"
9 . 1 17 ALA C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -113.00 -63.00 -88.60 -112.89 -68.40 . . 0 "[ . 1 . 2]"
10 . 1 21 ASP C 1 22 THR N 1 22 THR CA 1 22 THR C -127.00 -77.00 -98.12 -127.73 -76.40 0.73 6 0 "[ . 1 . 2]"
11 . 1 22 THR C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -153.00 -103.00 -131.79 -130.68 -131.63 . . 0 "[ . 1 . 2]"
12 . 1 23 VAL C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -121.00 -85.00 -111.09 -108.49 -111.19 0.70 19 0 "[ . 1 . 2]"
13 . 1 24 LYS C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -136.00 -88.00 -124.90 -136.12 -115.75 0.12 13 0 "[ . 1 . 2]"
14 . 1 25 LEU C 1 26 MET N 1 26 MET CA 1 26 MET C -131.00 -75.00 -117.49 -112.29 -114.77 . . 0 "[ . 1 . 2]"
15 . 1 26 MET C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -159.00 -99.00 -112.21 -98.67 -105.10 0.71 2 0 "[ . 1 . 2]"
16 . 1 27 TYR C 1 28 LYS N 1 28 LYS CA 1 28 LYS C 40.00 68.00 58.33 56.71 55.97 . . 0 "[ . 1 . 2]"
17 . 1 28 LYS C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 62.00 94.00 92.32 94.82 94.31 1.52 2 0 "[ . 1 . 2]"
18 . 1 29 GLY C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -146.00 -96.00 -104.29 -112.59 -97.03 . . 0 "[ . 1 . 2]"
19 . 1 32 MET C 1 33 THR N 1 33 THR CA 1 33 THR C -133.00 -77.00 -86.11 -81.20 -82.16 . . 0 "[ . 1 . 2]"
20 . 1 33 THR C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -146.00 -96.00 -102.96 -98.19 -99.57 0.90 2 0 "[ . 1 . 2]"
21 . 1 34 PHE C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -139.00 -89.00 -122.36 -123.07 -127.43 0.20 11 0 "[ . 1 . 2]"
22 . 1 35 ARG C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -99.00 -49.00 -72.64 -72.37 -77.49 . . 0 "[ . 1 . 2]"
23 . 1 38 LEU C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -155.00 -111.00 -117.64 -122.73 -125.01 0.96 15 0 "[ . 1 . 2]"
24 . 1 39 VAL C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -148.00 -92.00 -125.15 -126.15 -128.31 0.13 20 0 "[ . 1 . 2]"
25 . 1 40 ASP C 1 41 THR N 1 41 THR CA 1 41 THR C -124.00 -74.00 -102.23 -114.52 -120.31 3.61 20 0 "[ . 1 . 2]"
26 . 1 44 THR C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -96.00 -46.00 -73.84 -98.52 -49.18 2.52 8 0 "[ . 1 . 2]"
27 . 1 48 LYS C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -112.00 -62.00 -92.52 -114.16 -61.45 2.16 9 0 "[ . 1 . 2]"
28 . 1 51 VAL C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -91.00 -41.00 -69.65 -83.37 -90.81 1.57 7 0 "[ . 1 . 2]"
29 . 1 52 GLU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -87.00 -37.00 -76.77 -80.48 -83.58 2.32 1 0 "[ . 1 . 2]"
30 . 1 54 TYR C 1 55 GLY N 1 55 GLY CA 1 55 GLY C -92.00 -44.00 -55.66 -71.44 -43.77 0.23 4 0 "[ . 1 . 2]"
31 . 1 55 GLY C 1 56 PRO N 1 56 PRO CA 1 56 PRO C -78.00 -46.00 -56.40 -69.79 -46.06 . . 0 "[ . 1 . 2]"
32 . 1 58 ALA C 1 59 SER N 1 59 SER CA 1 59 SER C -74.00 -58.00 -64.95 -66.56 -67.83 0.29 18 0 "[ . 1 . 2]"
33 . 1 59 SER C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -70.00 -58.00 -64.93 -65.48 -67.80 1.04 1 0 "[ . 1 . 2]"
34 . 1 60 ALA C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -79.00 -51.00 -62.08 -69.63 -55.47 . . 0 "[ . 1 . 2]"
35 . 1 61 PHE C 1 62 THR N 1 62 THR CA 1 62 THR C -74.00 -54.00 -60.30 -57.49 -58.38 . . 0 "[ . 1 . 2]"
36 . 1 62 THR C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -72.00 -46.00 -57.99 -56.83 -57.11 . . 0 "[ . 1 . 2]"
37 . 1 63 LYS C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -76.00 -48.00 -61.19 -57.48 -58.74 . . 0 "[ . 1 . 2]"
38 . 1 64 LYS C 1 65 MET N 1 65 MET CA 1 65 MET C -72.00 -52.00 -68.62 -72.64 -62.68 0.64 19 0 "[ . 1 . 2]"
39 . 1 65 MET C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -90.00 -54.00 -76.68 -77.85 -80.67 . . 0 "[ . 1 . 2]"
40 . 1 66 VAL C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -86.00 -50.00 -76.91 -71.95 -73.90 0.19 5 0 "[ . 1 . 2]"
41 . 1 67 GLU C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -95.00 -59.00 -80.40 -90.38 -67.42 . . 0 "[ . 1 . 2]"
42 . 1 68 ASN C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -102.00 -52.00 -66.23 -78.80 -86.17 . . 0 "[ . 1 . 2]"
43 . 1 70 LYS C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -133.00 -103.00 -121.16 -133.78 -104.30 0.78 4 0 "[ . 1 . 2]"
44 . 1 71 LYS C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -122.00 -92.00 -107.15 -119.10 -91.72 0.28 17 0 "[ . 1 . 2]"
45 . 1 72 ILE C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -143.00 -113.00 -113.68 -114.31 -115.42 1.76 12 0 "[ . 1 . 2]"
46 . 1 73 GLU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -141.00 -111.00 -112.54 -120.96 -110.29 0.71 6 0 "[ . 1 . 2]"
47 . 1 74 VAL C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -137.00 -107.00 -115.70 -107.76 -109.14 0.49 2 0 "[ . 1 . 2]"
48 . 1 75 GLU C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -109.00 -79.00 -97.80 -87.94 -91.56 1.13 14 0 "[ . 1 . 2]"
49 . 1 76 PHE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -136.00 -86.00 -93.05 -96.80 -97.33 1.37 13 0 "[ . 1 . 2]"
50 . 1 80 GLN C 1 81 ARG N 1 81 ARG CA 1 81 ARG C -111.00 -61.00 -99.51 -111.67 -84.37 0.67 20 0 "[ . 1 . 2]"
51 . 1 81 ARG C 1 82 THR N 1 82 THR CA 1 82 THR C -152.00 -102.00 -132.44 -148.95 -101.87 0.13 15 0 "[ . 1 . 2]"
52 . 1 85 TYR C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 55.00 105.00 96.32 89.85 86.33 0.67 18 0 "[ . 1 . 2]"
53 . 1 89 LEU C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -156.00 -90.00 -152.88 -157.58 -138.76 1.58 9 0 "[ . 1 . 2]"
54 . 1 90 ALA C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -110.00 -80.00 -93.41 -97.79 -103.83 0.06 6 0 "[ . 1 . 2]"
55 . 1 91 TYR C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -130.00 -100.00 -101.73 -99.99 -103.14 1.45 13 0 "[ . 1 . 2]"
56 . 1 92 ILE C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -132.00 -102.00 -113.56 -122.09 -105.77 . . 0 "[ . 1 . 2]"
57 . 1 93 TYR C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -136.00 -106.00 -108.54 -105.19 -105.27 1.66 13 0 "[ . 1 . 2]"
58 . 1 94 ALA C 1 95 ASP N 1 95 ASP CA 1 95 ASP C 5.00 45.00 44.68 31.95 47.57 2.57 9 0 "[ . 1 . 2]"
59 . 1 95 ASP C 1 96 GLY N 1 96 GLY CA 1 96 GLY C 56.00 106.00 98.50 77.27 107.78 1.78 4 0 "[ . 1 . 2]"
60 . 1 96 GLY C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -123.00 -73.00 -90.43 -104.37 -80.32 . . 0 "[ . 1 . 2]"
61 . 1 97 LYS C 1 98 MET N 1 98 MET CA 1 98 MET C -97.00 -47.00 -79.74 -70.39 -73.99 0.13 14 0 "[ . 1 . 2]"
62 . 1 98 MET C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -73.00 -41.00 -66.86 -73.41 -58.36 0.41 2 0 "[ . 1 . 2]"
63 . 1 99 VAL C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -78.00 -42.00 -59.68 -69.41 -53.54 . . 0 "[ . 1 . 2]"
64 . 1 100 ASN C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -82.00 -54.00 -65.25 -64.94 -65.57 . . 0 "[ . 1 . 2]"
65 . 1 101 GLU C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -76.00 -52.00 -59.19 -69.58 -52.85 . . 0 "[ . 1 . 2]"
66 . 1 102 ALA C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -70.00 -54.00 -60.03 -58.40 -59.87 0.43 2 0 "[ . 1 . 2]"
67 . 1 103 LEU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -73.00 -53.00 -70.78 -73.29 -65.05 0.29 19 0 "[ . 1 . 2]"
68 . 1 104 VAL C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -85.00 -39.00 -65.56 -72.57 -55.92 . . 0 "[ . 1 . 2]"
69 . 1 105 ARG C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -121.00 -73.00 -90.55 -87.99 -91.07 . . 0 "[ . 1 . 2]"
70 . 1 106 GLN C 1 107 GLY N 1 107 GLY CA 1 107 GLY C 49.00 99.00 68.22 59.55 75.29 . . 0 "[ . 1 . 2]"
71 . 1 108 LEU C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -170.00 -120.00 -153.28 -165.50 -140.57 . . 0 "[ . 1 . 2]"
72 . 1 109 ALA C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -150.00 -100.00 -112.16 -112.61 -112.66 0.13 3 0 "[ . 1 . 2]"
73 . 1 110 LYS C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -118.00 -68.00 -83.77 -108.05 -71.38 . . 0 "[ . 1 . 2]"
74 . 1 111 VAL C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -140.00 -90.00 -97.80 -141.32 -86.33 3.67 17 0 "[ . 1 . 2]"
75 . 1 112 ALA C 1 113 TYR N 1 113 TYR CA 1 113 TYR C -118.00 -72.00 -88.08 -122.99 -70.24 4.99 9 0 "[ . 1 . 2]"
76 . 1 113 TYR C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -139.00 -89.00 -102.51 -141.50 -86.96 2.50 13 0 "[ . 1 . 2]"
77 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 LYS N 104.00 168.00 114.71 131.00 118.37 1.85 20 0 "[ . 1 . 2]"
78 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 GLU N 109.00 159.00 136.04 141.92 135.16 1.52 5 0 "[ . 1 . 2]"
79 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 THR N 121.00 -179.00 158.43 141.00 171.26 . . 0 "[ . 1 . 2]"
80 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 LEU N 115.00 165.00 134.73 135.50 134.43 . . 0 "[ . 1 . 2]"
81 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ILE N 97.00 147.00 129.35 132.97 129.71 . . 0 "[ . 1 . 2]"
82 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 LYS N -59.00 -7.00 -55.71 -60.21 -49.81 1.21 16 0 "[ . 1 . 2]"
83 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 ALA N 113.00 163.00 149.17 134.02 163.60 0.60 4 0 "[ . 1 . 2]"
84 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 ILE N 93.00 153.00 118.97 112.72 110.10 . . 0 "[ . 1 . 2]"
85 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 ASP N -64.00 -14.00 -56.84 -64.80 -37.67 0.80 2 0 "[ . 1 . 2]"
86 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 VAL N 106.00 156.00 116.36 105.81 130.12 0.19 8 0 "[ . 1 . 2]"
87 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 LYS N 117.00 167.00 151.12 137.27 167.57 0.57 20 0 "[ . 1 . 2]"
88 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 LEU N 107.00 143.00 118.20 117.67 116.26 . . 0 "[ . 1 . 2]"
89 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 MET N 109.00 159.00 157.02 146.73 159.69 0.69 3 0 "[ . 1 . 2]"
90 . 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 TYR N 85.00 145.00 108.69 98.92 120.03 . . 0 "[ . 1 . 2]"
91 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 LYS N 96.00 152.00 120.11 110.34 132.45 . . 0 "[ . 1 . 2]"
92 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 GLY N 28.00 56.00 30.21 30.62 28.71 1.66 11 0 "[ . 1 . 2]"
93 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 GLN N -13.00 19.00 3.71 -2.55 9.11 . . 0 "[ . 1 . 2]"
94 . 1 32 MET N 1 32 MET CA 1 32 MET C 1 33 THR N 100.00 156.00 151.15 153.18 150.64 0.54 12 0 "[ . 1 . 2]"
95 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 PHE N 104.00 154.00 117.49 103.83 136.62 0.17 10 0 "[ . 1 . 2]"
96 . 1 34 PHE N 1 34 PHE CA 1 34 PHE C 1 35 ARG N 121.00 171.00 151.10 125.25 166.88 . . 0 "[ . 1 . 2]"
97 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 LEU N 109.00 159.00 134.32 112.25 156.44 . . 0 "[ . 1 . 2]"
98 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LEU N 109.00 159.00 125.34 119.08 116.88 . . 0 "[ . 1 . 2]"
99 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ASP N 126.00 176.00 131.07 125.12 143.38 0.88 15 0 "[ . 1 . 2]"
100 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 THR N 109.00 159.00 112.51 123.57 110.13 2.42 20 0 "[ . 1 . 2]"
101 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 THR N 124.00 174.00 145.22 131.19 127.86 1.55 12 0 "[ . 1 . 2]"
102 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 HIS N -51.00 -1.00 -32.76 -27.94 -31.50 3.48 13 0 "[ . 1 . 2]"
103 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 LYS N -49.00 1.00 -32.51 1.68 -20.35 2.04 9 0 "[ . 1 . 2]"
104 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 GLY N -36.00 14.00 -11.89 -37.71 14.34 1.71 3 0 "[ . 1 . 2]"
105 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LYS N -64.00 -14.00 -34.61 -61.91 -12.65 1.35 5 0 "[ . 1 . 2]"
106 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 TYR N -66.00 -16.00 -32.60 -68.81 -12.72 3.28 20 0 "[ . 1 . 2]"
107 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 PRO N -58.00 -26.00 -56.24 -59.43 -49.06 1.43 15 0 "[ . 1 . 2]"
108 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 SER N -52.00 -28.00 -44.59 -47.14 -48.06 . . 0 "[ . 1 . 2]"
109 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 ALA N -50.00 -34.00 -41.20 -49.41 -33.77 0.23 1 0 "[ . 1 . 2]"
110 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 PHE N -47.00 -35.00 -41.04 -47.52 -34.81 0.52 17 0 "[ . 1 . 2]"
111 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 THR N -53.00 -25.00 -46.19 -53.09 -40.64 0.09 4 0 "[ . 1 . 2]"
112 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 LYS N -53.00 -33.00 -46.96 -51.68 -41.47 . . 0 "[ . 1 . 2]"
113 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 LYS N -54.00 -38.00 -49.39 -54.93 -36.83 1.17 10 0 "[ . 1 . 2]"
114 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 MET N -60.00 -20.00 -39.51 -46.83 -54.04 . . 0 "[ . 1 . 2]"
115 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 VAL N -51.00 -21.00 -46.52 -51.50 -38.38 0.50 10 0 "[ . 1 . 2]"
116 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 GLU N -53.00 -17.00 -31.52 -31.83 -34.68 . . 0 "[ . 1 . 2]"
117 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 ASN N -52.00 -16.00 -27.36 -35.51 -19.49 . . 0 "[ . 1 . 2]"
118 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 ALA N -46.00 -10.00 -22.43 -41.56 -9.44 0.56 1 0 "[ . 1 . 2]"
119 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 LYS N 110.00 160.00 140.58 121.02 160.47 0.47 15 0 "[ . 1 . 2]"
120 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ILE N 120.00 150.00 132.02 144.19 139.08 1.14 12 0 "[ . 1 . 2]"
121 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 GLU N 113.00 143.00 121.58 128.94 124.11 0.50 3 0 "[ . 1 . 2]"
122 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 VAL N 134.00 164.00 136.60 132.89 145.51 1.11 16 0 "[ . 1 . 2]"
123 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 GLU N 119.00 149.00 124.29 121.23 118.91 1.34 7 0 "[ . 1 . 2]"
124 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 PHE N 116.00 146.00 128.87 135.16 134.42 0.45 13 0 "[ . 1 . 2]"
125 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 ASP N 117.00 147.00 133.67 116.29 148.98 1.98 13 0 "[ . 1 . 2]"
126 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 LYS N 134.00 -176.00 -177.73 163.71 -173.47 2.53 15 0 "[ . 1 . 2]"
127 . 1 81 ARG N 1 81 ARG CA 1 81 ARG C 1 82 THR N -54.00 -4.00 -20.45 -32.75 -34.64 0.49 6 0 "[ . 1 . 2]"
128 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ASP N 134.00 -176.00 144.24 133.29 159.10 0.71 7 0 "[ . 1 . 2]"
129 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ARG N 25.00 75.00 40.47 35.87 28.86 0.80 1 0 "[ . 1 . 2]"
130 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 TYR N 137.00 167.00 162.79 152.48 168.06 1.06 19 0 "[ . 1 . 2]"
131 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 ILE N 106.00 142.00 131.27 129.73 128.60 0.38 12 0 "[ . 1 . 2]"
132 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 TYR N 124.00 154.00 126.58 122.91 135.70 1.09 16 0 "[ . 1 . 2]"
133 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 ALA N 124.00 154.00 138.39 142.94 139.03 . . 0 "[ . 1 . 2]"
134 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ASP N 101.00 161.00 100.56 98.26 109.17 2.74 5 0 "[ . 1 . 2]"
135 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 GLY N 27.00 57.00 46.13 38.31 32.12 1.72 11 0 "[ . 1 . 2]"
136 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 LYS N -25.00 25.00 -16.24 -25.73 2.16 0.73 13 0 "[ . 1 . 2]"
137 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 MET N 110.00 160.00 129.51 119.39 115.38 0.46 18 0 "[ . 1 . 2]"
138 . 1 98 MET N 1 98 MET CA 1 98 MET C 1 99 VAL N 100.00 150.00 108.20 99.47 119.87 0.53 7 0 "[ . 1 . 2]"
139 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ASN N -61.00 -29.00 -40.54 -48.02 -29.18 . . 0 "[ . 1 . 2]"
140 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 GLU N -50.00 -30.00 -43.06 -52.17 -30.05 2.17 12 0 "[ . 1 . 2]"
141 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 ALA N -56.00 -28.00 -44.04 -44.13 -46.01 0.66 18 0 "[ . 1 . 2]"
142 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 LEU N -54.00 -30.00 -43.03 -51.01 -36.72 . . 0 "[ . 1 . 2]"
143 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 VAL N -53.00 -37.00 -47.56 -50.25 -51.70 0.46 1 0 "[ . 1 . 2]"
144 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 ARG N -51.00 -31.00 -38.24 -37.40 -37.78 . . 0 "[ . 1 . 2]"
145 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 GLN N -45.00 -17.00 -30.54 -21.81 -24.64 0.78 9 0 "[ . 1 . 2]"
146 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 GLY N -28.00 20.00 -1.70 -3.68 -4.23 . . 0 "[ . 1 . 2]"
147 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 LEU N -1.00 49.00 34.93 28.70 27.19 . . 0 "[ . 1 . 2]"
148 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 LYS N 134.00 -176.00 166.06 167.41 165.69 . . 0 "[ . 1 . 2]"
149 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 VAL N 121.00 171.00 162.43 147.12 171.77 0.77 14 0 "[ . 1 . 2]"
150 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 ALA N 100.00 150.00 129.59 107.32 150.73 0.73 20 0 "[ . 1 . 2]"
151 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 TYR N 122.00 162.00 127.53 118.08 158.16 3.92 9 0 "[ . 1 . 2]"
152 . 1 113 TYR N 1 113 TYR CA 1 113 TYR C 1 114 VAL N 99.00 149.00 121.85 95.47 149.73 3.53 13 0 "[ . 1 . 2]"
153 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 TYR N 106.00 152.00 128.71 105.05 152.87 0.95 2 0 "[ . 1 . 2]"
154 . 2 13 HIS C 2 14 GLU N 2 14 GLU CA 2 14 GLU C -88.00 -38.00 -58.28 -58.56 -60.64 0.56 17 0 "[ . 1 . 2]"
155 . 2 14 GLU C 2 15 GLN N 2 15 GLN CA 2 15 GLN C -83.00 -43.00 -59.53 -61.96 -63.84 . . 0 "[ . 1 . 2]"
156 . 2 15 GLN C 2 16 LEU N 2 16 LEU CA 2 16 LEU C -70.00 -54.00 -64.22 -67.02 -68.52 0.47 17 0 "[ . 1 . 2]"
157 . 2 16 LEU C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -69.00 -57.00 -67.94 -70.25 -60.38 1.25 4 0 "[ . 1 . 2]"
158 . 2 17 LEU C 2 18 ARG N 2 18 ARG CA 2 18 ARG C -89.00 -49.00 -67.84 -71.48 -75.13 . . 0 "[ . 1 . 2]"
159 . 2 18 ARG C 2 19 LYS N 2 19 LYS CA 2 19 LYS C -93.00 -47.00 -69.77 -71.37 -72.60 . . 0 "[ . 1 . 2]"
160 . 2 19 LYS C 2 20 SER N 2 20 SER CA 2 20 SER C -80.00 -48.00 -65.89 -65.85 -66.40 . . 0 "[ . 1 . 2]"
161 . 2 21 GLU C 2 22 ALA N 2 22 ALA CA 2 22 ALA C -74.00 -50.00 -55.29 -52.96 -54.24 . . 0 "[ . 1 . 2]"
162 . 2 22 ALA C 2 23 GLN N 2 23 GLN CA 2 23 GLN C -73.00 -61.00 -66.36 -71.72 -60.17 0.83 1 0 "[ . 1 . 2]"
163 . 2 23 GLN C 2 24 ALA N 2 24 ALA CA 2 24 ALA C -79.00 -55.00 -65.03 -67.13 -69.48 . . 0 "[ . 1 . 2]"
164 . 2 24 ALA C 2 25 LYS N 2 25 LYS CA 2 25 LYS C -83.00 -51.00 -60.43 -55.15 -57.62 . . 0 "[ . 1 . 2]"
165 . 2 25 LYS C 2 26 LYS N 2 26 LYS CA 2 26 LYS C -83.00 -51.00 -67.95 -79.90 -59.77 . . 0 "[ . 1 . 2]"
166 . 2 26 LYS C 2 27 GLU N 2 27 GLU CA 2 27 GLU C -113.00 -63.00 -78.72 -89.57 -64.14 . . 0 "[ . 1 . 2]"
167 . 2 27 GLU C 2 28 LYS N 2 28 LYS CA 2 28 LYS C 31.00 81.00 56.51 61.97 60.25 . . 0 "[ . 1 . 2]"
168 . 2 30 ASN C 2 31 ILE N 2 31 ILE CA 2 31 ILE C -96.00 -46.00 -66.52 -60.98 -63.48 . . 0 "[ . 1 . 2]"
169 . 2 33 SER C 2 34 GLU N 2 34 GLU CA 2 34 GLU C -97.00 -47.00 -71.37 -97.30 -55.14 0.30 3 0 "[ . 1 . 2]"
170 . 2 14 GLU N 2 14 GLU CA 2 14 GLU C 2 15 GLN N -66.00 -16.00 -48.84 -65.72 -33.52 . . 0 "[ . 1 . 2]"
171 . 2 15 GLN N 2 15 GLN CA 2 15 GLN C 2 16 LEU N -54.00 -34.00 -39.73 -54.32 -33.32 0.68 6 0 "[ . 1 . 2]"
172 . 2 16 LEU N 2 16 LEU CA 2 16 LEU C 2 17 LEU N -50.00 -34.00 -48.36 -51.10 -42.68 1.10 2 0 "[ . 1 . 2]"
173 . 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 ARG N -52.00 -22.00 -35.18 -41.24 -44.56 . . 0 "[ . 1 . 2]"
174 . 2 18 ARG N 2 18 ARG CA 2 18 ARG C 2 19 LYS N -63.00 -13.00 -32.93 -45.60 -18.39 . . 0 "[ . 1 . 2]"
175 . 2 19 LYS N 2 19 LYS CA 2 19 LYS C 2 20 SER N -51.00 -23.00 -36.93 -32.04 -34.42 0.34 19 0 "[ . 1 . 2]"
176 . 2 20 SER N 2 20 SER CA 2 20 SER C 2 21 GLU N -58.00 -26.00 -42.70 -55.05 -35.45 . . 0 "[ . 1 . 2]"
177 . 2 22 ALA N 2 22 ALA CA 2 22 ALA C 2 23 GLN N -52.00 -28.00 -42.57 -50.73 -34.78 . . 0 "[ . 1 . 2]"
178 . 2 23 GLN N 2 23 GLN CA 2 23 GLN C 2 24 ALA N -47.00 -35.00 -47.16 -47.41 -47.54 1.81 7 0 "[ . 1 . 2]"
179 . 2 24 ALA N 2 24 ALA CA 2 24 ALA C 2 25 LYS N -62.00 -22.00 -35.00 -40.79 -28.18 . . 0 "[ . 1 . 2]"
180 . 2 25 LYS N 2 25 LYS CA 2 25 LYS C 2 26 LYS N -51.00 -27.00 -46.53 -45.09 -45.76 0.72 19 0 "[ . 1 . 2]"
181 . 2 26 LYS N 2 26 LYS CA 2 26 LYS C 2 27 GLU N -47.00 -23.00 -34.69 -24.01 -26.95 0.58 8 0 "[ . 1 . 2]"
182 . 2 27 GLU N 2 27 GLU CA 2 27 GLU C 2 28 LYS N -30.00 26.00 -13.85 -29.84 -3.20 . . 0 "[ . 1 . 2]"
183 . 2 28 LYS N 2 28 LYS CA 2 28 LYS C 2 29 LEU N 15.00 65.00 54.99 52.51 48.94 0.57 12 0 "[ . 1 . 2]"
184 . 2 31 ILE N 2 31 ILE CA 2 31 ILE C 2 32 TRP N -60.00 -10.00 -34.53 -60.35 -24.89 0.35 18 0 "[ . 1 . 2]"
185 . 2 34 GLU N 2 34 GLU CA 2 34 GLU C 2 35 ASP N -55.00 -5.00 -24.39 -22.66 -24.30 0.36 3 0 "[ . 1 . 2]"
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