NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498742 |
2kxi   |
16737 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kxi
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 198
_TA_constraint_stats_list.Viol_count 492
_TA_constraint_stats_list.Viol_total 11076.25
_TA_constraint_stats_list.Viol_max 4.82
_TA_constraint_stats_list.Viol_rms 0.49
_TA_constraint_stats_list.Viol_average_all_restraints 0.14
_TA_constraint_stats_list.Viol_average_violations_only 1.13
_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 LEU N 1 5 LEU CA 1 5 LEU C 1 6 TYR N 125.00 -175.00 142.80 124.52 160.59 0.48 11 0 "[ . 1 . 2]"
2 . 1 4 PHE C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -161.00 -101.00 -108.70 -147.33 -99.22 1.78 11 0 "[ . 1 . 2]"
3 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 ARG N 101.00 161.00 130.79 112.42 141.25 . . 0 "[ . 1 . 2]"
4 . 1 5 LEU C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -157.00 -97.00 -117.74 -126.23 -131.87 0.85 13 0 "[ . 1 . 2]"
5 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 GLY N 95.00 155.00 134.66 150.20 144.38 2.56 5 0 "[ . 1 . 2]"
6 . 1 6 TYR C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -148.00 -88.00 -142.50 -142.43 -144.07 0.37 12 0 "[ . 1 . 2]"
7 . 1 8 GLY N 1 8 GLY CA 1 8 GLY C 1 9 ILE N 97.00 157.00 156.38 137.12 158.51 1.51 11 0 "[ . 1 . 2]"
8 . 1 7 ARG C 1 8 GLY N 1 8 GLY CA 1 8 GLY C -137.00 -77.00 -117.06 -137.74 -89.13 0.74 7 0 "[ . 1 . 2]"
9 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 SER N 130.00 -170.00 138.18 140.31 136.91 1.29 14 0 "[ . 1 . 2]"
10 . 1 8 GLY C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -170.00 -110.00 -134.46 -151.45 -109.38 0.62 4 0 "[ . 1 . 2]"
11 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 CYS N -35.00 25.00 -12.21 -39.36 25.59 4.36 8 0 "[ . 1 . 2]"
12 . 1 9 ILE C 1 10 SER N 1 10 SER CA 1 10 SER C -130.00 -70.00 -98.34 -94.88 -99.86 0.61 4 0 "[ . 1 . 2]"
13 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 GLN N -70.00 -10.00 -31.94 -57.13 -21.56 . . 0 "[ . 1 . 2]"
14 . 1 11 CYS C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -93.00 -33.00 -55.33 -53.12 -54.02 . . 0 "[ . 1 . 2]"
15 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ASP N -80.00 -20.00 -44.77 -42.99 -44.83 . . 0 "[ . 1 . 2]"
16 . 1 12 GLN C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -96.00 -36.00 -66.65 -76.22 -56.42 . . 0 "[ . 1 . 2]"
17 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 GLU N -73.00 -13.00 -42.16 -40.33 -41.46 . . 0 "[ . 1 . 2]"
18 . 1 13 GLN C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -94.00 -34.00 -65.47 -84.98 -56.65 . . 0 "[ . 1 . 2]"
19 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLN N -68.00 -8.00 -49.76 -45.35 -48.17 . . 0 "[ . 1 . 2]"
20 . 1 14 ASP C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -95.00 -35.00 -60.19 -73.76 -52.56 . . 0 "[ . 1 . 2]"
21 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 ASN N -56.00 4.00 -34.68 -44.80 -16.71 . . 0 "[ . 1 . 2]"
22 . 1 15 GLU C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -95.00 -35.00 -66.34 -68.49 -69.74 . . 0 "[ . 1 . 2]"
23 . 1 17 ASN N 1 17 ASN CA 1 17 ASN C 1 18 ASN N -80.00 -20.00 -41.70 -35.03 -37.33 . . 0 "[ . 1 . 2]"
24 . 1 16 GLN C 1 17 ASN N 1 17 ASN CA 1 17 ASN C -95.00 -35.00 -68.76 -81.12 -57.55 . . 0 "[ . 1 . 2]"
25 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 GLY N -90.00 -10.00 -27.04 -65.48 -8.70 1.30 11 0 "[ . 1 . 2]"
26 . 1 17 ASN C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -105.00 -25.00 -81.90 -94.10 -67.18 . . 0 "[ . 1 . 2]"
27 . 1 19 GLY N 1 19 GLY CA 1 19 GLY C 1 20 GLN N -10.00 70.00 12.26 -10.84 47.17 0.84 18 0 "[ . 1 . 2]"
28 . 1 18 ASN C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 10.00 90.00 82.39 74.20 68.80 0.46 5 0 "[ . 1 . 2]"
29 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ALA N -69.00 -9.00 -30.41 -59.57 -14.66 . . 0 "[ . 1 . 2]"
30 . 1 51 LYS C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -94.00 -34.00 -56.23 -54.26 -56.83 . . 0 "[ . 1 . 2]"
31 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 VAL N -68.00 -8.00 -60.36 -58.29 -60.23 0.44 13 0 "[ . 1 . 2]"
32 . 1 52 ASN C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -90.00 -30.00 -59.38 -76.79 -50.88 . . 0 "[ . 1 . 2]"
33 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 TYR N -73.00 -13.00 -33.97 -39.06 -26.27 . . 0 "[ . 1 . 2]"
34 . 1 53 ALA C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -93.00 -33.00 -67.15 -68.85 -69.42 . . 0 "[ . 1 . 2]"
35 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 ALA N -64.00 -4.00 -56.40 -53.62 -55.40 0.64 3 0 "[ . 1 . 2]"
36 . 1 54 VAL C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -92.00 -32.00 -63.21 -77.58 -58.40 . . 0 "[ . 1 . 2]"
37 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 HIS N -69.00 -9.00 -44.11 -49.37 -32.03 . . 0 "[ . 1 . 2]"
38 . 1 55 TYR C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -97.00 -37.00 -59.89 -61.03 -62.43 . . 0 "[ . 1 . 2]"
39 . 1 57 HIS N 1 57 HIS CA 1 57 HIS C 1 58 GLN N -69.00 -9.00 -47.54 -38.35 -43.34 . . 0 "[ . 1 . 2]"
40 . 1 56 ALA C 1 57 HIS N 1 57 HIS CA 1 57 HIS C -94.00 -34.00 -60.38 -66.41 -52.11 . . 0 "[ . 1 . 2]"
41 . 1 58 GLN N 1 58 GLN CA 1 58 GLN C 1 59 ILE N -68.00 -8.00 -43.92 -57.90 -22.13 . . 0 "[ . 1 . 2]"
42 . 1 57 HIS C 1 58 GLN N 1 58 GLN CA 1 58 GLN C -90.00 -30.00 -63.33 -67.62 -70.05 . . 0 "[ . 1 . 2]"
43 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 GLU N -73.00 -13.00 -41.56 -41.38 -42.39 . . 0 "[ . 1 . 2]"
44 . 1 58 GLN C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -93.00 -33.00 -74.00 -93.56 -58.62 0.56 20 0 "[ . 1 . 2]"
45 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 THR N -73.00 -13.00 -54.85 -74.86 -23.97 1.86 14 0 "[ . 1 . 2]"
46 . 1 59 ILE C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -93.00 -33.00 -78.51 -72.10 -76.46 0.84 5 0 "[ . 1 . 2]"
47 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 GLY N -80.00 -20.00 -44.51 -71.21 -73.25 1.36 9 0 "[ . 1 . 2]"
48 . 1 60 GLU C 1 61 THR N 1 61 THR CA 1 61 THR C -93.00 -33.00 -84.15 -89.68 -90.80 3.08 19 0 "[ . 1 . 2]"
49 . 1 67 CYS N 1 67 CYS CA 1 67 CYS C 1 68 TYR N -60.00 0.00 -36.59 -55.73 0.77 0.77 16 0 "[ . 1 . 2]"
50 . 1 66 GLY C 1 67 CYS N 1 67 CYS CA 1 67 CYS C -90.00 -30.00 -66.44 -91.11 -51.76 1.11 11 0 "[ . 1 . 2]"
51 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 ILE N 80.00 160.00 156.19 160.75 160.35 3.58 3 0 "[ . 1 . 2]"
52 . 1 67 CYS C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -130.00 -50.00 -113.18 -130.19 -65.31 0.19 9 0 "[ . 1 . 2]"
53 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 SER N 101.00 161.00 109.67 110.17 104.21 3.17 4 0 "[ . 1 . 2]"
54 . 1 68 TYR C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -150.00 -90.00 -105.57 -126.98 -89.52 0.48 4 0 "[ . 1 . 2]"
55 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 THR N 110.00 170.00 124.97 140.58 136.04 0.04 15 0 "[ . 1 . 2]"
56 . 1 69 ILE C 1 70 SER N 1 70 SER CA 1 70 SER C -129.00 -69.00 -88.37 -106.75 -74.14 . . 0 "[ . 1 . 2]"
57 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 THR N 110.00 170.00 145.59 108.53 170.39 1.47 17 0 "[ . 1 . 2]"
58 . 1 70 SER C 1 71 THR N 1 71 THR CA 1 71 THR C -140.00 -80.00 -132.22 -132.86 -135.54 1.06 11 0 "[ . 1 . 2]"
59 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 THR N 110.00 170.00 157.96 148.01 170.55 0.55 19 0 "[ . 1 . 2]"
60 . 1 71 THR C 1 72 THR N 1 72 THR CA 1 72 THR C -130.00 -70.00 -88.36 -82.22 -86.67 1.03 16 0 "[ . 1 . 2]"
61 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 ASP N -50.00 10.00 -12.13 -44.48 10.73 0.73 7 0 "[ . 1 . 2]"
62 . 1 72 THR C 1 73 THR N 1 73 THR CA 1 73 THR C -100.00 -40.00 -70.43 -77.21 -78.58 . . 0 "[ . 1 . 2]"
63 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 LYS N 110.00 170.00 131.80 132.90 130.53 1.96 3 0 "[ . 1 . 2]"
64 . 1 73 THR C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -140.00 -80.00 -98.58 -109.33 -116.79 0.65 20 0 "[ . 1 . 2]"
65 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 GLU N -80.00 -20.00 -21.13 -28.47 -18.01 1.99 3 0 "[ . 1 . 2]"
66 . 1 74 ASP C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -90.00 -30.00 -60.17 -66.35 -69.80 . . 0 "[ . 1 . 2]"
67 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ILE N -60.00 0.00 -10.46 -31.21 2.03 2.03 15 0 "[ . 1 . 2]"
68 . 1 75 LYS C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -90.00 -30.00 -68.79 -72.63 -77.57 0.13 18 0 "[ . 1 . 2]"
69 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 ALA N -70.00 10.00 -31.84 -38.57 -23.88 . . 0 "[ . 1 . 2]"
70 . 1 76 GLU C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -107.00 -27.00 -51.00 -59.62 -44.52 . . 0 "[ . 1 . 2]"
71 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 LYS N -80.00 -20.00 -57.25 -68.90 -42.48 . . 0 "[ . 1 . 2]"
72 . 1 77 ILE C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -94.00 -34.00 -58.39 -63.48 -54.46 . . 0 "[ . 1 . 2]"
73 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 LYS N -80.00 -20.00 -41.75 -44.07 -45.41 . . 0 "[ . 1 . 2]"
74 . 1 78 ALA C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -90.00 -30.00 -71.04 -78.21 -66.57 . . 0 "[ . 1 . 2]"
75 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 PHE N -90.00 -30.00 -47.16 -53.34 -41.74 . . 0 "[ . 1 . 2]"
76 . 1 79 LYS C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -93.00 -33.00 -60.50 -62.77 -62.92 . . 0 "[ . 1 . 2]"
77 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 ALA N -80.00 -20.00 -50.10 -56.98 -43.52 . . 0 "[ . 1 . 2]"
78 . 1 80 LYS C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -93.00 -33.00 -66.44 -66.29 -67.16 . . 0 "[ . 1 . 2]"
79 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 THR N -80.00 -20.00 -49.10 -59.72 -38.17 . . 0 "[ . 1 . 2]"
80 . 1 81 PHE C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -93.00 -33.00 -55.88 -57.49 -63.00 . . 0 "[ . 1 . 2]"
81 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 SER N -70.00 -10.00 -44.23 -39.85 -43.03 . . 0 "[ . 1 . 2]"
82 . 1 82 ALA C 1 83 THR N 1 83 THR CA 1 83 THR C -90.00 -30.00 -69.99 -66.87 -68.68 . . 0 "[ . 1 . 2]"
83 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 SER N -60.00 0.00 -21.43 -29.88 -10.40 . . 0 "[ . 1 . 2]"
84 . 1 83 THR C 1 84 SER N 1 84 SER CA 1 84 SER C -110.00 -50.00 -68.18 -73.52 -60.61 . . 0 "[ . 1 . 2]"
85 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 GLY N -50.00 10.00 0.50 -7.84 10.68 0.68 11 0 "[ . 1 . 2]"
86 . 1 84 SER C 1 85 SER N 1 85 SER CA 1 85 SER C -110.00 -50.00 -94.69 -86.84 -89.30 . . 0 "[ . 1 . 2]"
87 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ILE N 0.00 60.00 35.76 38.77 37.60 . . 0 "[ . 1 . 2]"
88 . 1 85 SER C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 30.00 90.00 63.16 55.87 75.23 . . 0 "[ . 1 . 2]"
89 . 1 87 ILE N 1 87 ILE CA 1 87 ILE C 1 88 GLU N -70.00 -10.00 -9.66 -18.48 -7.26 2.74 16 0 "[ . 1 . 2]"
90 . 1 86 GLY C 1 87 ILE N 1 87 ILE CA 1 87 ILE C -90.00 -30.00 -75.56 -69.10 -70.76 1.01 14 0 "[ . 1 . 2]"
91 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ASN N -80.00 -20.00 -37.40 -50.41 -26.09 . . 0 "[ . 1 . 2]"
92 . 1 87 ILE C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -90.00 -30.00 -36.81 -33.84 -37.58 1.48 6 0 "[ . 1 . 2]"
93 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 GLY N 90.00 150.00 96.16 87.64 123.80 2.36 17 0 "[ . 1 . 2]"
94 . 1 88 GLU C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -130.00 -70.00 -121.66 -132.21 -107.39 2.21 9 0 "[ . 1 . 2]"
95 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 ILE N 90.00 150.00 145.48 148.48 146.79 3.56 4 0 "[ . 1 . 2]"
96 . 1 90 GLY C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -150.00 -90.00 -118.11 -134.87 -89.85 0.15 15 0 "[ . 1 . 2]"
97 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 TYR N 90.00 150.00 133.23 111.31 147.47 . . 0 "[ . 1 . 2]"
98 . 1 91 TYR C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -165.00 -105.00 -136.23 -149.06 -105.03 . . 0 "[ . 1 . 2]"
99 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 VAL N 96.00 156.00 144.28 154.97 152.88 0.75 13 0 "[ . 1 . 2]"
100 . 1 92 ILE C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -130.00 -70.00 -125.78 -131.53 -131.63 2.63 16 0 "[ . 1 . 2]"
101 . 1 94 VAL N 1 94 VAL CA 1 94 VAL C 1 95 LEU N 110.00 170.00 136.56 113.61 149.38 . . 0 "[ . 1 . 2]"
102 . 1 93 TYR C 1 94 VAL N 1 94 VAL CA 1 94 VAL C -140.00 -80.00 -119.51 -134.38 -102.83 . . 0 "[ . 1 . 2]"
103 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 ASN N 60.00 140.00 140.68 143.16 142.79 3.35 5 0 "[ . 1 . 2]"
104 . 1 94 VAL C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -160.00 -80.00 -121.61 -128.34 -134.22 . . 0 "[ . 1 . 2]"
105 . 1 96 ASN N 1 96 ASN CA 1 96 ASN C 1 97 ARG N 100.00 160.00 134.60 114.24 149.76 . . 0 "[ . 1 . 2]"
106 . 1 95 LEU C 1 96 ASN N 1 96 ASN CA 1 96 ASN C -140.00 -80.00 -89.56 -113.24 -79.50 0.50 14 0 "[ . 1 . 2]"
107 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 ASP N -80.00 0.00 -37.32 -53.61 -20.20 . . 0 "[ . 1 . 2]"
108 . 1 96 ASN C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -100.00 -20.00 -73.78 -70.30 -74.69 . . 0 "[ . 1 . 2]"
109 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 LEU N -70.00 10.00 -29.20 -43.40 -10.36 . . 0 "[ . 1 . 2]"
110 . 1 97 ARG C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -100.00 -20.00 -61.39 -53.84 -55.00 . . 0 "[ . 1 . 2]"
111 . 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 PHE N -50.00 30.00 -41.96 -50.93 -32.67 0.93 2 0 "[ . 1 . 2]"
112 . 1 98 ASP C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -130.00 -50.00 -64.85 -64.61 -65.09 . . 0 "[ . 1 . 2]"
113 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 GLY N -74.00 6.00 -38.96 -44.57 -29.95 . . 0 "[ . 1 . 2]"
114 . 1 99 LEU C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -112.00 -32.00 -66.21 -64.88 -66.29 . . 0 "[ . 1 . 2]"
115 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 GLN N -74.00 6.00 -41.48 -52.72 -35.22 . . 0 "[ . 1 . 2]"
116 . 1 100 PHE C 1 101 GLY N 1 101 GLY CA 1 101 GLY C -100.00 -20.00 -60.31 -57.93 -58.40 . . 0 "[ . 1 . 2]"
117 . 1 102 GLN N 1 102 GLN CA 1 102 GLN C 1 103 TYR N -80.00 0.00 -42.12 -32.86 -36.64 . . 0 "[ . 1 . 2]"
118 . 1 101 GLY C 1 102 GLN N 1 102 GLN CA 1 102 GLN C -130.00 -50.00 -66.05 -74.73 -59.19 . . 0 "[ . 1 . 2]"
119 . 1 103 TYR N 1 103 TYR CA 1 103 TYR C 1 104 SER N -70.00 10.00 -18.89 -20.16 -20.81 . . 0 "[ . 1 . 2]"
120 . 1 102 GLN C 1 103 TYR N 1 103 TYR CA 1 103 TYR C -140.00 -60.00 -70.28 -68.80 -68.96 . . 0 "[ . 1 . 2]"
121 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 ILE N 0.00 60.00 35.74 33.80 32.37 . . 0 "[ . 1 . 2]"
122 . 1 103 TYR C 1 104 SER N 1 104 SER CA 1 104 SER C 20.00 80.00 68.85 63.88 72.98 . . 0 "[ . 1 . 2]"
123 . 1 105 ILE N 1 105 ILE CA 1 105 ILE C 1 106 PHE N 103.00 163.00 156.11 152.15 150.10 3.51 7 0 "[ . 1 . 2]"
124 . 1 104 SER C 1 105 ILE N 1 105 ILE CA 1 105 ILE C -120.00 -60.00 -70.98 -74.22 -75.55 . . 0 "[ . 1 . 2]"
125 . 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 GLU N 103.00 163.00 115.88 99.00 164.08 4.00 3 0 "[ . 1 . 2]"
126 . 1 105 ILE C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -136.00 -76.00 -79.46 -78.50 -82.32 2.55 18 0 "[ . 1 . 2]"
127 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 TYR N 100.00 160.00 114.27 99.32 155.90 0.68 14 0 "[ . 1 . 2]"
128 . 1 106 PHE C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -150.00 -90.00 -103.45 -118.61 -141.23 1.96 10 0 "[ . 1 . 2]"
129 . 1 108 TYR N 1 108 TYR CA 1 108 TYR C 1 109 GLU N 114.00 174.00 116.43 110.84 145.27 3.16 11 0 "[ . 1 . 2]"
130 . 1 107 GLU C 1 108 TYR N 1 108 TYR CA 1 108 TYR C -161.00 -101.00 -119.55 -155.28 -99.86 1.14 9 0 "[ . 1 . 2]"
131 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 VAL N 108.00 168.00 124.73 107.45 155.07 0.55 14 0 "[ . 1 . 2]"
132 . 1 108 TYR C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -146.00 -86.00 -100.37 -99.46 -105.02 0.78 3 0 "[ . 1 . 2]"
133 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C 1 111 GLU N 108.00 168.00 130.98 106.85 150.36 1.15 15 0 "[ . 1 . 2]"
134 . 1 109 GLU C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -146.00 -86.00 -102.57 -89.31 -90.20 2.24 8 0 "[ . 1 . 2]"
135 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 HIS N 100.00 160.00 137.64 128.75 161.04 1.04 9 0 "[ . 1 . 2]"
136 . 1 110 VAL C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -146.00 -86.00 -107.28 -106.81 -111.65 1.65 14 0 "[ . 1 . 2]"
137 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C 1 113 PRO N 140.00 -160.00 177.32 169.35 -169.70 . . 0 "[ . 1 . 2]"
138 . 1 111 GLU C 1 112 HIS N 1 112 HIS CA 1 112 HIS C -140.00 -80.00 -86.26 -80.86 -81.61 1.58 5 0 "[ . 1 . 2]"
139 . 1 113 PRO N 1 113 PRO CA 1 113 PRO C 1 114 GLU N 110.00 170.00 163.35 163.26 160.91 1.02 18 0 "[ . 1 . 2]"
140 . 1 112 HIS C 1 113 PRO N 1 113 PRO CA 1 113 PRO C -100.00 -40.00 -47.45 -50.40 -44.28 . . 0 "[ . 1 . 2]"
141 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 ASN N -70.00 -10.00 -59.45 -71.07 -41.23 1.07 19 0 "[ . 1 . 2]"
142 . 1 113 PRO C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -100.00 -40.00 -51.23 -53.13 -54.67 . . 0 "[ . 1 . 2]"
143 . 1 115 ASN N 1 115 ASN CA 1 115 ASN C 1 116 PRO N -90.00 -10.00 -14.76 -9.70 -11.08 1.41 4 0 "[ . 1 . 2]"
144 . 1 114 GLU C 1 115 ASN N 1 115 ASN CA 1 115 ASN C -120.00 -40.00 -91.80 -103.69 -77.42 . . 0 "[ . 1 . 2]"
145 . 1 116 PRO N 1 116 PRO CA 1 116 PRO C 1 117 ASN N -60.00 0.00 -23.04 -27.34 -16.25 . . 0 "[ . 1 . 2]"
146 . 1 115 ASN C 1 116 PRO N 1 116 PRO CA 1 116 PRO C -80.00 -20.00 -43.26 -51.62 -37.17 . . 0 "[ . 1 . 2]"
147 . 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 GLU N -10.00 50.00 15.92 26.45 23.67 1.65 13 0 "[ . 1 . 2]"
148 . 1 116 PRO C 1 117 ASN N 1 117 ASN CA 1 117 ASN C 24.00 84.00 71.36 65.58 83.65 . . 0 "[ . 1 . 2]"
149 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 LYS N 100.00 160.00 134.97 98.40 160.72 1.60 6 0 "[ . 1 . 2]"
150 . 1 117 ASN C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -160.00 -100.00 -123.09 -144.41 -146.89 0.33 14 0 "[ . 1 . 2]"
151 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 GLU N 96.00 156.00 119.94 95.48 148.55 0.52 9 0 "[ . 1 . 2]"
152 . 1 118 GLU C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -150.00 -90.00 -131.00 -125.42 -129.42 0.97 18 0 "[ . 1 . 2]"
153 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 VAL N 80.00 140.00 117.22 91.92 140.50 0.50 5 0 "[ . 1 . 2]"
154 . 1 119 LYS C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -129.00 -69.00 -96.31 -82.80 -89.04 1.33 5 0 "[ . 1 . 2]"
155 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 THR N 96.00 156.00 103.44 95.12 113.37 0.88 2 0 "[ . 1 . 2]"
156 . 1 120 GLU C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -122.00 -62.00 -94.56 -93.92 -95.73 0.36 13 0 "[ . 1 . 2]"
157 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 ILE N 96.00 156.00 117.19 107.11 130.40 . . 0 "[ . 1 . 2]"
158 . 1 121 VAL C 1 122 THR N 1 122 THR CA 1 122 THR C -122.00 -62.00 -89.01 -104.63 -74.23 . . 0 "[ . 1 . 2]"
159 . 1 123 ILE N 1 123 ILE CA 1 123 ILE C 1 124 ARG N 90.00 150.00 107.95 93.42 129.66 . . 0 "[ . 1 . 2]"
160 . 1 122 THR C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -150.00 -90.00 -87.93 -87.30 -87.45 3.55 20 0 "[ . 1 . 2]"
161 . 1 124 ARG N 1 124 ARG CA 1 124 ARG C 1 125 ALA N 70.00 130.00 104.95 99.71 95.93 . . 0 "[ . 1 . 2]"
162 . 1 123 ILE C 1 124 ARG N 1 124 ARG CA 1 124 ARG C -130.00 -70.00 -95.10 -119.32 -77.50 . . 0 "[ . 1 . 2]"
163 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 GLU N 100.00 160.00 155.02 123.23 163.44 3.44 9 0 "[ . 1 . 2]"
164 . 1 124 ARG C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -130.00 -70.00 -71.94 -69.99 -70.52 1.90 11 0 "[ . 1 . 2]"
165 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 ASP N -60.00 0.00 -38.08 -60.28 -4.09 0.28 8 0 "[ . 1 . 2]"
166 . 1 125 ALA C 1 126 GLU N 1 126 GLU CA 1 126 GLU C -100.00 -40.00 -58.54 -65.37 -72.40 0.56 9 0 "[ . 1 . 2]"
167 . 1 127 ASP N 1 127 ASP CA 1 127 ASP C 1 128 CYS N 80.00 160.00 154.71 122.66 162.42 2.42 16 0 "[ . 1 . 2]"
168 . 1 126 GLU C 1 127 ASP N 1 127 ASP CA 1 127 ASP C -160.00 -80.00 -124.46 -110.18 -119.18 . . 0 "[ . 1 . 2]"
169 . 1 128 CYS N 1 128 CYS CA 1 128 CYS C 1 129 GLY N 100.00 160.00 133.06 99.61 160.90 0.90 9 0 "[ . 1 . 2]"
170 . 1 127 ASP C 1 128 CYS N 1 128 CYS CA 1 128 CYS C -110.00 -50.00 -70.49 -78.01 -79.84 . . 0 "[ . 1 . 2]"
171 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 CYS N -10.00 70.00 53.37 26.78 71.55 1.55 10 0 "[ . 1 . 2]"
172 . 1 128 CYS C 1 129 GLY N 1 129 GLY CA 1 129 GLY C 10.00 90.00 88.22 91.23 90.94 3.17 17 0 "[ . 1 . 2]"
173 . 1 130 CYS N 1 130 CYS CA 1 130 CYS C 1 131 ILE N -10.00 70.00 70.97 72.66 72.00 4.82 18 0 "[ . 1 . 2]"
174 . 1 129 GLY C 1 130 CYS N 1 130 CYS CA 1 130 CYS C 10.00 90.00 54.92 58.60 57.76 . . 0 "[ . 1 . 2]"
175 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 PRO N -70.00 10.00 -45.12 -55.38 -33.82 . . 0 "[ . 1 . 2]"
176 . 1 130 CYS C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -110.00 -30.00 -53.15 -56.17 -58.95 . . 0 "[ . 1 . 2]"
177 . 1 132 PRO N 1 132 PRO CA 1 132 PRO C 1 133 GLU N 110.00 170.00 117.48 107.67 135.66 2.33 15 0 "[ . 1 . 2]"
178 . 1 131 ILE C 1 132 PRO N 1 132 PRO CA 1 132 PRO C -100.00 -40.00 -90.98 -100.31 -70.91 0.31 19 0 "[ . 1 . 2]"
179 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 GLU N -50.00 10.00 -17.29 -7.31 -14.90 . . 0 "[ . 1 . 2]"
180 . 1 132 PRO C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -110.00 -50.00 -72.48 -71.65 -75.21 . . 0 "[ . 1 . 2]"
181 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 VAL N -70.00 10.00 -3.85 -29.89 11.96 1.96 6 0 "[ . 1 . 2]"
182 . 1 133 GLU C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -129.00 -49.00 -81.88 -90.36 -92.85 . . 0 "[ . 1 . 2]"
183 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 ILE N -70.00 -10.00 -19.25 -14.05 -15.18 1.24 15 0 "[ . 1 . 2]"
184 . 1 134 GLU C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -100.00 -40.00 -69.85 -71.58 -72.37 . . 0 "[ . 1 . 2]"
185 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 ILE N 90.00 150.00 92.51 91.22 89.96 1.80 20 0 "[ . 1 . 2]"
186 . 1 135 VAL C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -150.00 -90.00 -87.84 -87.96 -88.30 3.92 7 0 "[ . 1 . 2]"
187 . 1 137 ILE N 1 137 ILE CA 1 137 ILE C 1 138 ALA N -60.00 0.00 -30.05 -37.07 -19.38 . . 0 "[ . 1 . 2]"
188 . 1 136 ILE C 1 137 ILE N 1 137 ILE CA 1 137 ILE C -119.00 -59.00 -70.94 -69.04 -70.78 . . 0 "[ . 1 . 2]"
189 . 1 138 ALA N 1 138 ALA CA 1 138 ALA C 1 139 LYS N 110.00 -170.00 148.17 157.80 148.83 . . 0 "[ . 1 . 2]"
190 . 1 137 ILE C 1 138 ALA N 1 138 ALA CA 1 138 ALA C -180.00 -100.00 -148.97 -161.56 -128.17 . . 0 "[ . 1 . 2]"
191 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 GLU N 80.00 160.00 133.22 140.88 136.52 0.54 7 0 "[ . 1 . 2]"
192 . 1 138 ALA C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -150.00 -70.00 -136.97 -151.66 -107.56 1.66 19 0 "[ . 1 . 2]"
193 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 LEU N 80.00 160.00 155.99 154.28 153.97 1.06 4 0 "[ . 1 . 2]"
194 . 1 139 LYS C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -140.00 -60.00 -137.36 -142.63 -95.08 2.63 11 0 "[ . 1 . 2]"
195 . 1 141 LEU N 1 141 LEU CA 1 141 LEU C 1 142 ILE N 80.00 160.00 149.87 144.39 157.66 . . 0 "[ . 1 . 2]"
196 . 1 140 GLU C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -140.00 -60.00 -106.81 -137.00 -75.74 . . 0 "[ . 1 . 2]"
197 . 1 142 ILE N 1 142 ILE CA 1 142 ILE C 1 143 GLU N 80.00 160.00 133.44 118.93 147.93 . . 0 "[ . 1 . 2]"
198 . 1 141 LEU C 1 142 ILE N 1 142 ILE CA 1 142 ILE C -140.00 -60.00 -136.15 -141.60 -124.33 1.60 8 0 "[ . 1 . 2]"
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