NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490908 |
2l5l   |
17275 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l5l
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 189
_TA_constraint_stats_list.Viol_count 577
_TA_constraint_stats_list.Viol_total 13415.25
_TA_constraint_stats_list.Viol_max 4.95
_TA_constraint_stats_list.Viol_rms 0.57
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 1.16
_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 SER C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -100.00 -44.00 -90.02 -101.33 -61.40 1.33 2 0 "[ . 1 . 2]"
2 . 1 8 ASN C 1 9 GLY N 1 9 GLY CA 1 9 GLY C 58.00 98.00 69.97 81.23 69.98 1.77 17 0 "[ . 1 . 2]"
3 . 1 9 GLY C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -168.00 -60.00 -151.33 -131.77 -135.80 1.60 19 0 "[ . 1 . 2]"
4 . 1 10 LYS C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -145.00 -49.00 -112.59 -114.02 -122.18 . . 0 "[ . 1 . 2]"
5 . 1 11 VAL C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -133.00 -69.00 -112.78 -132.97 -80.80 . . 0 "[ . 1 . 2]"
6 . 1 12 ILE C 1 13 HIS N 1 13 HIS CA 1 13 HIS C -122.00 -70.00 -84.63 -86.74 -88.01 . . 0 "[ . 1 . 2]"
7 . 1 13 HIS C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -151.00 -87.00 -131.83 -124.02 -127.84 . . 0 "[ . 1 . 2]"
8 . 1 14 LEU C 1 15 THR N 1 15 THR CA 1 15 THR C -109.00 -65.00 -98.12 -95.33 -98.42 0.74 13 0 "[ . 1 . 2]"
9 . 1 15 THR C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -64.00 -56.00 -59.00 -59.62 -61.91 1.32 18 0 "[ . 1 . 2]"
10 . 1 16 LYS C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -75.00 -47.00 -66.20 -64.90 -65.37 . . 0 "[ . 1 . 2]"
11 . 1 17 ALA C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -71.00 -63.00 -71.27 -72.90 -65.89 1.90 2 0 "[ . 1 . 2]"
12 . 1 18 GLU C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -71.00 -47.00 -59.07 -57.39 -59.07 . . 0 "[ . 1 . 2]"
13 . 1 19 PHE C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -83.00 -47.00 -50.65 -59.02 -46.62 0.38 10 0 "[ . 1 . 2]"
14 . 1 20 LEU C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -101.00 -45.00 -80.19 -86.94 -65.64 . . 0 "[ . 1 . 2]"
15 . 1 21 ALA C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -109.00 -53.00 -106.39 -111.02 -89.04 2.02 3 0 "[ . 1 . 2]"
16 . 1 24 TYR C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -150.00 -42.00 -89.35 -90.45 -91.21 . . 0 "[ . 1 . 2]"
17 . 1 26 PHE C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -107.00 -39.00 -94.44 -107.78 -70.64 0.78 16 0 "[ . 1 . 2]"
18 . 1 27 GLU C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -107.00 -55.00 -93.63 -106.77 -83.46 . . 0 "[ . 1 . 2]"
19 . 1 29 ASN C 1 30 PRO N 1 30 PRO CA 1 30 PRO C -74.00 -46.00 -60.47 -74.69 -44.03 1.97 12 0 "[ . 1 . 2]"
20 . 1 30 PRO C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -122.00 -58.00 -103.21 -103.46 -105.13 . . 0 "[ . 1 . 2]"
21 . 1 31 GLU C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -152.00 -92.00 -93.16 -92.69 -94.91 2.21 2 0 "[ . 1 . 2]"
22 . 1 33 TRP C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -161.00 -53.00 -112.63 -107.93 -110.70 . . 0 "[ . 1 . 2]"
23 . 1 34 LYS C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -136.00 -68.00 -92.47 -133.00 -68.14 . . 0 "[ . 1 . 2]"
24 . 1 38 ASP C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -162.00 -70.00 -119.20 -135.65 -102.27 . . 0 "[ . 1 . 2]"
25 . 1 39 LYS C 1 40 PRO N 1 40 PRO CA 1 40 PRO C -177.00 -21.00 -52.85 -49.46 -52.88 . . 0 "[ . 1 . 2]"
26 . 1 40 PRO C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -177.00 -101.00 -119.78 -131.54 -107.52 . . 0 "[ . 1 . 2]"
27 . 1 41 ALA C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -155.00 -111.00 -121.72 -125.87 -127.17 . . 0 "[ . 1 . 2]"
28 . 1 42 ILE C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -135.00 -99.00 -108.89 -98.94 -99.78 0.72 19 0 "[ . 1 . 2]"
29 . 1 43 VAL C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -130.00 -74.00 -96.01 -103.69 -86.74 . . 0 "[ . 1 . 2]"
30 . 1 44 ASP C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -144.00 -72.00 -88.01 -95.85 -77.01 . . 0 "[ . 1 . 2]"
31 . 1 45 PHE C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -164.00 -100.00 -134.63 -147.02 -127.28 . . 0 "[ . 1 . 2]"
32 . 1 46 TYR C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -158.00 -42.00 -141.05 -159.09 -116.72 1.09 5 0 "[ . 1 . 2]"
33 . 1 47 ALA C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -79.00 -47.00 -62.70 -80.68 -55.40 1.68 2 0 "[ . 1 . 2]"
34 . 1 48 ASP C 1 49 TRP N 1 49 TRP CA 1 49 TRP C -126.00 -66.00 -74.63 -72.63 -73.89 . . 0 "[ . 1 . 2]"
35 . 1 50 CYS C 1 51 GLY N 1 51 GLY CA 1 51 GLY C -63.00 -47.00 -55.38 -63.95 -49.14 0.95 14 0 "[ . 1 . 2]"
36 . 1 51 GLY C 1 52 PRO N 1 52 PRO CA 1 52 PRO C -80.00 -48.00 -48.53 -47.65 -47.74 1.08 20 0 "[ . 1 . 2]"
37 . 1 52 PRO C 1 53 CYS N 1 53 CYS CA 1 53 CYS C -79.00 -51.00 -65.55 -73.98 -56.86 . . 0 "[ . 1 . 2]"
38 . 1 53 CYS C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -76.00 -52.00 -65.39 -79.04 -52.70 3.04 2 0 "[ . 1 . 2]"
39 . 1 54 LYS C 1 55 MET N 1 55 MET CA 1 55 MET C -96.00 -44.00 -68.17 -91.84 -51.47 . . 0 "[ . 1 . 2]"
40 . 1 55 MET C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -125.00 -49.00 -76.10 -88.06 -63.45 . . 0 "[ . 1 . 2]"
41 . 1 56 VAL C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -69.00 -33.00 -49.71 -53.83 -57.53 . . 0 "[ . 1 . 2]"
42 . 1 57 ALA C 1 58 PRO N 1 58 PRO CA 1 58 PRO C -69.00 -53.00 -65.80 -71.15 -57.82 2.15 16 0 "[ . 1 . 2]"
43 . 1 58 PRO C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -74.00 -54.00 -61.85 -58.54 -60.60 . . 0 "[ . 1 . 2]"
44 . 1 59 ILE C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -68.00 -52.00 -65.49 -71.69 -56.42 3.69 4 0 "[ . 1 . 2]"
45 . 1 60 LEU C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -68.00 -52.00 -64.80 -69.19 -60.08 1.19 12 0 "[ . 1 . 2]"
46 . 1 61 ASP C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -75.00 -55.00 -57.49 -64.56 -52.63 2.37 14 0 "[ . 1 . 2]"
47 . 1 62 GLU C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -71.00 -55.00 -65.96 -65.82 -66.72 1.02 6 0 "[ . 1 . 2]"
48 . 1 63 LEU C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -76.00 -52.00 -59.35 -64.99 -53.55 . . 0 "[ . 1 . 2]"
49 . 1 64 ALA C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -75.00 -51.00 -73.52 -78.20 -64.70 3.20 7 0 "[ . 1 . 2]"
50 . 1 65 LYS C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -80.00 -48.00 -63.21 -62.27 -66.08 0.62 3 0 "[ . 1 . 2]"
51 . 1 66 GLU C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -123.00 -59.00 -104.69 -105.47 -107.20 . . 0 "[ . 1 . 2]"
52 . 1 67 TYR C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -115.00 -39.00 -55.17 -49.93 -52.21 . . 0 "[ . 1 . 2]"
53 . 1 70 GLN C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -167.00 -91.00 -123.31 -147.01 -95.15 . . 0 "[ . 1 . 2]"
54 . 1 71 ILE C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -173.00 -89.00 -128.05 -131.47 -133.36 . . 0 "[ . 1 . 2]"
55 . 1 72 VAL C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -134.00 -90.00 -112.23 -122.89 -103.86 . . 0 "[ . 1 . 2]"
56 . 1 73 ILE C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -151.00 -99.00 -119.86 -125.71 -127.08 . . 0 "[ . 1 . 2]"
57 . 1 74 TYR C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -167.00 -107.00 -140.20 -143.76 -146.09 . . 0 "[ . 1 . 2]"
58 . 1 75 LYS C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -164.00 -92.00 -133.60 -128.24 -131.46 . . 0 "[ . 1 . 2]"
59 . 1 76 VAL C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -130.00 -58.00 -85.71 -77.98 -80.10 . . 0 "[ . 1 . 2]"
60 . 1 77 ASP C 1 78 THR N 1 78 THR CA 1 78 THR C -72.00 -52.00 -58.12 -52.94 -55.56 1.95 16 0 "[ . 1 . 2]"
61 . 1 78 THR C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -83.00 -55.00 -57.97 -51.97 -53.42 4.44 2 0 "[ . 1 . 2]"
62 . 1 81 GLU C 1 82 GLN N 1 82 GLN CA 1 82 GLN C -73.00 -49.00 -60.64 -59.16 -60.66 . . 0 "[ . 1 . 2]"
63 . 1 82 GLN C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -74.00 -62.00 -65.74 -69.11 -70.58 0.34 14 0 "[ . 1 . 2]"
64 . 1 83 GLU C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -70.00 -54.00 -66.68 -65.68 -66.79 0.80 3 0 "[ . 1 . 2]"
65 . 1 84 LEU C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -75.00 -51.00 -63.30 -64.62 -65.14 . . 0 "[ . 1 . 2]"
66 . 1 85 ALA C 1 86 GLY N 1 86 GLY CA 1 86 GLY C -74.00 -54.00 -61.47 -64.46 -66.84 . . 0 "[ . 1 . 2]"
67 . 1 86 GLY C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -83.00 -59.00 -64.17 -68.54 -60.85 . . 0 "[ . 1 . 2]"
68 . 1 87 ALA C 1 88 PHE N 1 88 PHE CA 1 88 PHE C -104.00 -72.00 -96.44 -104.53 -82.70 0.53 7 0 "[ . 1 . 2]"
69 . 1 92 SER C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -163.00 -75.00 -148.98 -153.93 -156.26 0.29 1 0 "[ . 1 . 2]"
70 . 1 93 ILE C 1 94 PRO N 1 94 PRO CA 1 94 PRO C -146.00 -70.00 -88.77 -90.01 -95.22 . . 0 "[ . 1 . 2]"
71 . 1 94 PRO C 1 95 SER N 1 95 SER CA 1 95 SER C -140.00 -108.00 -138.20 -140.39 -140.68 2.80 12 0 "[ . 1 . 2]"
72 . 1 95 SER C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -139.00 -103.00 -126.95 -136.55 -110.73 . . 0 "[ . 1 . 2]"
73 . 1 96 ILE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -140.00 -84.00 -99.26 -106.14 -92.96 . . 0 "[ . 1 . 2]"
74 . 1 97 LEU C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -123.00 -71.00 -96.38 -95.23 -96.20 . . 0 "[ . 1 . 2]"
75 . 1 98 PHE C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -150.00 -62.00 -102.32 -100.13 -100.99 . . 0 "[ . 1 . 2]"
76 . 1 99 ILE C 1 100 PRO N 1 100 PRO CA 1 100 PRO C -123.00 -15.00 -83.21 -88.18 -75.92 . . 0 "[ . 1 . 2]"
77 . 1 103 GLY C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -159.00 -59.00 -119.24 -98.49 -112.35 . . 0 "[ . 1 . 2]"
78 . 1 105 PRO C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -164.00 -92.00 -106.29 -125.83 -90.80 1.20 14 0 "[ . 1 . 2]"
79 . 1 106 GLU C 1 107 MET N 1 107 MET CA 1 107 MET C -142.00 -74.00 -139.27 -143.84 -122.63 1.84 10 0 "[ . 1 . 2]"
80 . 1 107 MET C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -133.00 -97.00 -117.13 -121.32 -124.68 1.30 14 0 "[ . 1 . 2]"
81 . 1 108 ALA C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -148.00 -68.00 -106.18 -137.67 -67.52 0.48 15 0 "[ . 1 . 2]"
82 . 1 111 ALA C 1 112 MET N 1 112 MET CA 1 112 MET C -173.00 -49.00 -87.23 -117.37 -59.05 . . 0 "[ . 1 . 2]"
83 . 1 112 MET C 1 113 PRO N 1 113 PRO CA 1 113 PRO C -72.00 -48.00 -75.60 -76.58 -74.32 4.58 17 0 "[ . 1 . 2]"
84 . 1 113 PRO C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -67.00 -51.00 -59.07 -63.17 -54.81 . . 0 "[ . 1 . 2]"
85 . 1 114 LYS C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -70.00 -54.00 -66.61 -71.33 -60.12 1.33 2 0 "[ . 1 . 2]"
86 . 1 115 ALA C 1 116 SER N 1 116 SER CA 1 116 SER C -72.00 -60.00 -68.44 -64.72 -65.89 0.82 20 0 "[ . 1 . 2]"
87 . 1 116 SER C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -78.00 -50.00 -64.24 -62.23 -63.27 . . 0 "[ . 1 . 2]"
88 . 1 117 PHE C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -70.00 -54.00 -56.94 -55.74 -56.39 0.17 16 0 "[ . 1 . 2]"
89 . 1 118 LYS C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -76.00 -48.00 -62.50 -65.15 -65.88 . . 0 "[ . 1 . 2]"
90 . 1 119 LYS C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -71.00 -59.00 -66.92 -71.32 -71.33 0.83 20 0 "[ . 1 . 2]"
91 . 1 120 ALA C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -74.00 -54.00 -69.75 -73.58 -73.99 1.95 12 0 "[ . 1 . 2]"
92 . 1 121 ILE C 1 122 ASP N 1 122 ASP CA 1 122 ASP C -72.00 -48.00 -67.18 -69.68 -71.43 2.24 5 0 "[ . 1 . 2]"
93 . 1 122 ASP C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -94.00 -50.00 -71.09 -78.12 -80.04 1.52 10 0 "[ . 1 . 2]"
94 . 1 124 PHE C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -90.00 -46.00 -81.40 -69.60 -72.75 1.01 18 0 "[ . 1 . 2]"
95 . 1 125 LEU C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -118.00 -54.00 -90.27 -89.22 -90.81 . . 0 "[ . 1 . 2]"
96 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 ALA N -73.00 15.00 -39.81 -74.46 16.90 1.90 5 0 "[ . 1 . 2]"
97 . 1 9 GLY N 1 9 GLY CA 1 9 GLY C 1 10 LYS N -32.00 52.00 26.43 -8.59 44.88 . . 0 "[ . 1 . 2]"
98 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 VAL N 117.00 173.00 166.30 174.62 173.39 2.32 8 0 "[ . 1 . 2]"
99 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 ILE N 106.00 150.00 125.34 113.15 110.67 . . 0 "[ . 1 . 2]"
100 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 HIS N 97.00 165.00 118.03 96.76 133.65 0.24 5 0 "[ . 1 . 2]"
101 . 1 13 HIS N 1 13 HIS CA 1 13 HIS C 1 14 LEU N 113.00 149.00 123.68 129.53 127.90 1.40 13 0 "[ . 1 . 2]"
102 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 THR N 130.00 178.00 174.47 158.31 -179.88 2.12 12 0 "[ . 1 . 2]"
103 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 LYS N 164.00 176.00 173.29 163.35 178.35 2.35 17 0 "[ . 1 . 2]"
104 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 ALA N -48.00 -24.00 -30.20 -37.40 -23.20 0.80 13 0 "[ . 1 . 2]"
105 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 GLU N -56.00 -28.00 -40.99 -39.78 -40.31 . . 0 "[ . 1 . 2]"
106 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 PHE N -51.00 -27.00 -35.82 -43.59 -31.66 . . 0 "[ . 1 . 2]"
107 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 LEU N -56.00 -32.00 -50.48 -51.63 -52.86 . . 0 "[ . 1 . 2]"
108 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 ALA N -58.00 -14.00 -60.35 -59.00 -59.35 3.47 6 0 "[ . 1 . 2]"
109 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 LYS N -48.00 -8.00 -24.05 -36.63 -45.03 0.48 1 0 "[ . 1 . 2]"
110 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 VAL N -62.00 10.00 -15.03 -37.68 1.50 . . 0 "[ . 1 . 2]"
111 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 ASN N 117.00 165.00 120.47 125.34 124.73 1.95 15 0 "[ . 1 . 2]"
112 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 PHE N 92.00 160.00 93.32 87.31 136.24 4.69 9 0 "[ . 1 . 2]"
113 . 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 LYS N -53.00 -1.00 -46.49 -54.73 -17.36 1.73 19 0 "[ . 1 . 2]"
114 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 ASN N -44.00 -12.00 -20.90 -23.45 -23.71 0.91 15 0 "[ . 1 . 2]"
115 . 1 30 PRO N 1 30 PRO CA 1 30 PRO C 1 31 GLU N -43.00 -3.00 -39.33 -44.98 -28.23 1.98 19 0 "[ . 1 . 2]"
116 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 GLU N -48.00 28.00 -28.32 -35.57 -40.30 . . 0 "[ . 1 . 2]"
117 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 TRP N 129.00 177.00 151.05 127.92 178.55 1.55 12 0 "[ . 1 . 2]"
118 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 TYR N 98.00 166.00 109.79 97.15 139.21 0.85 5 0 "[ . 1 . 2]"
119 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 GLU N 89.00 161.00 117.56 96.72 133.56 . . 0 "[ . 1 . 2]"
120 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 PRO N 65.00 -171.00 161.75 165.28 161.25 . . 0 "[ . 1 . 2]"
121 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 ALA N 133.00 169.00 137.44 132.41 132.31 1.64 10 0 "[ . 1 . 2]"
122 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 ILE N 132.00 176.00 147.80 138.36 157.17 . . 0 "[ . 1 . 2]"
123 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 VAL N 111.00 163.00 120.52 112.31 110.40 0.79 11 0 "[ . 1 . 2]"
124 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 ASP N 96.00 160.00 115.24 109.15 134.52 . . 0 "[ . 1 . 2]"
125 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 PHE N 93.00 145.00 111.86 103.55 119.47 . . 0 "[ . 1 . 2]"
126 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 TYR N 113.00 141.00 111.76 111.51 111.21 3.06 3 0 "[ . 1 . 2]"
127 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 ALA N 131.00 -173.00 169.73 173.98 171.28 . . 0 "[ . 1 . 2]"
128 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 ASP N 107.00 -173.00 134.29 173.34 152.05 . . 0 "[ . 1 . 2]"
129 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 TRP N -46.00 -6.00 -33.06 -46.43 -11.26 0.43 2 0 "[ . 1 . 2]"
130 . 1 49 TRP N 1 49 TRP CA 1 49 TRP C 1 50 CYS N -16.00 16.00 -7.87 -1.43 -2.78 1.29 7 0 "[ . 1 . 2]"
131 . 1 51 GLY N 1 51 GLY CA 1 51 GLY C 1 52 PRO N -68.00 -16.00 -57.55 -55.28 -56.62 0.23 4 0 "[ . 1 . 2]"
132 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 CYS N -49.00 -25.00 -39.24 -41.44 -45.70 . . 0 "[ . 1 . 2]"
133 . 1 53 CYS N 1 53 CYS CA 1 53 CYS C 1 54 LYS N -50.00 -30.00 -42.14 -50.64 -29.45 0.64 15 0 "[ . 1 . 2]"
134 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 MET N -51.00 -31.00 -29.71 -34.78 -42.95 4.95 5 0 "[ . 1 . 2]"
135 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 VAL N -64.00 -12.00 -46.13 -54.48 -26.95 . . 0 "[ . 1 . 2]"
136 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 ALA N -52.00 24.00 -30.60 -27.90 -30.53 . . 0 "[ . 1 . 2]"
137 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 PRO N -60.00 -36.00 -56.24 -56.80 -57.34 1.28 13 0 "[ . 1 . 2]"
138 . 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 ILE N -50.00 -18.00 -38.71 -49.04 -26.78 . . 0 "[ . 1 . 2]"
139 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 LEU N -55.00 -35.00 -45.91 -44.49 -47.50 2.28 4 0 "[ . 1 . 2]"
140 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ASP N -52.00 -32.00 -36.63 -45.39 -29.90 2.10 16 0 "[ . 1 . 2]"
141 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 GLU N -50.00 -38.00 -42.40 -42.66 -44.29 2.47 17 0 "[ . 1 . 2]"
142 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 LEU N -53.00 -33.00 -47.98 -51.10 -52.86 3.63 19 0 "[ . 1 . 2]"
143 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 ALA N -48.00 -32.00 -32.70 -42.69 -29.90 2.10 3 0 "[ . 1 . 2]"
144 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 LYS N -60.00 -16.00 -48.64 -37.94 -42.09 0.23 15 0 "[ . 1 . 2]"
145 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 GLU N -55.00 -27.00 -31.16 -49.67 -23.85 3.15 15 0 "[ . 1 . 2]"
146 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 TYR N -51.00 -19.00 -38.24 -48.14 -19.83 . . 0 "[ . 1 . 2]"
147 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 ASP N -20.00 24.00 26.09 28.08 27.74 4.08 2 0 "[ . 1 . 2]"
148 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 GLY N 115.00 163.00 139.20 114.46 163.57 0.57 3 0 "[ . 1 . 2]"
149 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 VAL N 135.00 175.00 158.55 145.58 174.41 . . 0 "[ . 1 . 2]"
150 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ILE N 93.00 -167.00 130.70 127.25 125.26 . . 0 "[ . 1 . 2]"
151 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 TYR N 110.00 142.00 135.62 121.13 142.34 0.34 16 0 "[ . 1 . 2]"
152 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 LYS N 132.00 176.00 164.58 156.85 173.49 . . 0 "[ . 1 . 2]"
153 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 VAL N 114.00 166.00 150.25 132.06 166.36 0.36 3 0 "[ . 1 . 2]"
154 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 ASP N 113.00 161.00 137.96 111.83 159.94 1.17 4 0 "[ . 1 . 2]"
155 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 THR N 68.00 -172.00 93.64 85.69 116.76 . . 0 "[ . 1 . 2]"
156 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 GLU N -48.00 -8.00 -32.11 -30.04 -31.52 . . 0 "[ . 1 . 2]"
157 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 LYS N -55.00 -15.00 -32.02 -44.86 -18.19 . . 0 "[ . 1 . 2]"
158 . 1 82 GLN N 1 82 GLN CA 1 82 GLN C 1 83 GLU N -54.00 -18.00 -41.64 -53.60 -26.74 . . 0 "[ . 1 . 2]"
159 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 LEU N -58.00 -18.00 -38.13 -36.88 -37.52 . . 0 "[ . 1 . 2]"
160 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 ALA N -53.00 -33.00 -46.83 -47.77 -48.51 0.19 3 0 "[ . 1 . 2]"
161 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 GLY N -51.00 -27.00 -44.50 -51.51 -36.28 0.51 3 0 "[ . 1 . 2]"
162 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ALA N -52.00 -28.00 -30.21 -33.93 -27.58 0.42 20 0 "[ . 1 . 2]"
163 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 PHE N -50.00 -2.00 -32.56 -41.50 -22.57 . . 0 "[ . 1 . 2]"
164 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 GLY N -26.00 30.00 0.38 3.06 0.80 . . 0 "[ . 1 . 2]"
165 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 PRO N 69.00 -171.00 151.89 136.45 163.18 . . 0 "[ . 1 . 2]"
166 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 SER N 122.00 150.00 145.98 148.68 148.08 0.48 2 0 "[ . 1 . 2]"
167 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 ILE N 101.00 169.00 135.29 112.35 146.76 . . 0 "[ . 1 . 2]"
168 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 LEU N 115.00 143.00 117.48 114.32 113.96 1.58 15 0 "[ . 1 . 2]"
169 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 PHE N 113.00 153.00 116.11 112.99 112.71 0.97 8 0 "[ . 1 . 2]"
170 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 ILE N 101.00 149.00 106.86 100.19 112.39 0.81 12 0 "[ . 1 . 2]"
171 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 PRO N 96.00 152.00 108.36 109.47 108.36 . . 0 "[ . 1 . 2]"
172 . 1 100 PRO N 1 100 PRO CA 1 100 PRO C 1 101 MET N 113.00 -175.00 163.68 164.89 163.27 . . 0 "[ . 1 . 2]"
173 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 PRO N 46.00 -166.00 153.41 143.93 163.57 . . 0 "[ . 1 . 2]"
174 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 MET N 108.00 168.00 167.32 157.98 171.24 3.24 12 0 "[ . 1 . 2]"
175 . 1 107 MET N 1 107 MET CA 1 107 MET C 1 108 ALA N 103.00 151.00 125.74 101.59 144.38 1.41 8 0 "[ . 1 . 2]"
176 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 GLN N 109.00 157.00 141.56 128.37 127.32 0.71 16 0 "[ . 1 . 2]"
177 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 GLY N 113.00 149.00 138.10 134.73 130.57 2.49 11 0 "[ . 1 . 2]"
178 . 1 112 MET N 1 112 MET CA 1 112 MET C 1 113 PRO N 58.00 -174.00 151.53 164.74 162.95 . . 0 "[ . 1 . 2]"
179 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 ALA N -53.00 -25.00 -32.04 -33.77 -35.21 2.09 3 0 "[ . 1 . 2]"
180 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 SER N -52.00 -28.00 -50.30 -51.15 -51.96 1.29 9 0 "[ . 1 . 2]"
181 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 PHE N -56.00 -28.00 -34.61 -34.06 -34.62 . . 0 "[ . 1 . 2]"
182 . 1 117 PHE N 1 117 PHE CA 1 117 PHE C 1 118 LYS N -69.00 -17.00 -44.51 -40.83 -43.18 . . 0 "[ . 1 . 2]"
183 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 LYS N -52.00 -28.00 -42.44 -52.39 -33.14 0.39 2 0 "[ . 1 . 2]"
184 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 ALA N -58.00 -30.00 -45.34 -34.42 -37.06 . . 0 "[ . 1 . 2]"
185 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 ILE N -51.00 -27.00 -42.47 -48.60 -34.96 . . 0 "[ . 1 . 2]"
186 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 ASP N -55.00 -35.00 -52.70 -55.61 -56.02 2.25 6 0 "[ . 1 . 2]"
187 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 PHE N -73.00 11.00 -9.27 12.00 11.93 1.31 8 0 "[ . 1 . 2]"
188 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 LEU N -55.00 17.00 -37.99 -39.13 -40.91 . . 0 "[ . 1 . 2]"
189 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 LYS N -66.00 42.00 -56.24 -66.84 -42.81 0.84 4 0 "[ . 1 . 2]"
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