NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641877 |
6k8q   |
36264 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6k8q
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 173
_TA_constraint_stats_list.Viol_count 585
_TA_constraint_stats_list.Viol_total 5666.88
_TA_constraint_stats_list.Viol_max 2.61
_TA_constraint_stats_list.Viol_rms 0.27
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.48
_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 ASP N 1 3 ASP CA 1 3 ASP C -76.80 -56.80 -62.28 -57.59 -58.28 0.41 11 0 "[ . 1 . 2]"
2 . 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 THR N -45.70 -22.70 -37.78 -40.75 -43.09 0.26 17 0 "[ . 1 . 2]"
3 . 1 3 ASP C 1 4 THR N 1 4 THR CA 1 4 THR C -74.10 -54.10 -58.75 -54.64 -55.40 0.04 9 0 "[ . 1 . 2]"
4 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 GLN N -51.90 -31.90 -45.25 -48.28 -49.68 0.38 3 0 "[ . 1 . 2]"
5 . 1 4 THR C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -72.90 -52.90 -62.90 -70.55 -52.66 0.24 20 0 "[ . 1 . 2]"
6 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 LEU N -50.50 -30.50 -32.71 -33.79 -34.65 0.09 3 0 "[ . 1 . 2]"
7 . 1 5 GLN C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -73.90 -53.90 -58.98 -64.30 -53.85 0.05 19 0 "[ . 1 . 2]"
8 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 PHE N -48.50 -28.50 -42.12 -42.83 -44.21 . . 0 "[ . 1 . 2]"
9 . 1 6 LEU C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -76.70 -56.70 -76.07 -77.56 -73.41 0.86 8 0 "[ . 1 . 2]"
10 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 ASN N -53.60 -33.60 -34.48 -34.30 -34.80 0.43 19 0 "[ . 1 . 2]"
11 . 1 7 PHE C 1 8 ASN N 1 8 ASN CA 1 8 ASN C -72.20 -52.20 -56.77 -62.43 -51.59 0.61 3 0 "[ . 1 . 2]"
12 . 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 ARG N -51.60 -31.60 -49.49 -50.68 -51.25 0.45 15 0 "[ . 1 . 2]"
13 . 1 8 ASN C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -74.00 -54.00 -67.20 -64.74 -66.41 0.33 9 0 "[ . 1 . 2]"
14 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 ALA N -52.30 -32.30 -34.31 -41.65 -31.27 1.03 1 0 "[ . 1 . 2]"
15 . 1 9 ARG C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -76.30 -56.30 -68.49 -67.79 -68.66 . . 0 "[ . 1 . 2]"
16 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 VAL N -52.00 -32.00 -44.20 -41.19 -41.83 . . 0 "[ . 1 . 2]"
17 . 1 10 ALA C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -72.50 -52.50 -70.04 -73.35 -64.71 0.85 2 0 "[ . 1 . 2]"
18 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 SER N -50.60 -30.60 -33.12 -36.53 -30.34 0.26 20 0 "[ . 1 . 2]"
19 . 1 11 VAL C 1 12 SER N 1 12 SER CA 1 12 SER C -70.40 -50.40 -58.92 -53.89 -56.49 . . 0 "[ . 1 . 2]"
20 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 MET N -51.30 -31.30 -49.06 -52.01 -43.65 0.71 2 0 "[ . 1 . 2]"
21 . 1 12 SER C 1 13 MET N 1 13 MET CA 1 13 MET C -72.00 -52.00 -69.12 -72.54 -64.59 0.54 8 0 "[ . 1 . 2]"
22 . 1 13 MET N 1 13 MET CA 1 13 MET C 1 14 VAL N -52.10 -32.10 -30.97 -30.95 -31.21 2.53 9 0 "[ . 1 . 2]"
23 . 1 13 MET C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -74.60 -54.60 -73.72 -69.90 -71.48 0.77 1 0 "[ . 1 . 2]"
24 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 GLU N -54.80 -34.80 -42.25 -51.71 -35.67 . . 0 "[ . 1 . 2]"
25 . 1 14 VAL C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -80.50 -51.90 -74.63 -67.09 -73.03 0.15 11 0 "[ . 1 . 2]"
26 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 LYS N -39.70 -16.10 -22.40 -29.23 -17.54 . . 0 "[ . 1 . 2]"
27 . 1 15 GLU C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -106.30 -86.30 -98.12 -105.98 -86.84 . . 0 "[ . 1 . 2]"
28 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 ASN N -22.70 16.30 -16.00 -18.57 -14.09 . . 0 "[ . 1 . 2]"
29 . 1 17 ASN C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -65.60 -45.60 -62.45 -64.54 -65.50 1.05 3 0 "[ . 1 . 2]"
30 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 ASP N -46.40 -26.40 -35.53 -27.39 -29.38 0.30 8 0 "[ . 1 . 2]"
31 . 1 18 LYS C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -72.10 -52.10 -63.38 -72.04 -55.78 . . 0 "[ . 1 . 2]"
32 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 ILE N -50.10 -30.10 -45.83 -46.34 -48.21 . . 0 "[ . 1 . 2]"
33 . 1 19 ASP C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -76.40 -56.40 -70.52 -76.29 -62.53 . . 0 "[ . 1 . 2]"
34 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 ARG N -52.60 -32.60 -34.66 -37.87 -31.97 0.63 12 0 "[ . 1 . 2]"
35 . 1 20 ILE C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -70.60 -50.60 -52.79 -57.58 -49.90 0.70 12 0 "[ . 1 . 2]"
36 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 SER N -53.40 -33.40 -35.80 -33.19 -33.56 1.28 20 0 "[ . 1 . 2]"
37 . 1 21 ARG C 1 22 SER N 1 22 SER CA 1 22 SER C -76.40 -56.40 -65.62 -70.54 -58.43 . . 0 "[ . 1 . 2]"
38 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 LEU N -49.50 -29.50 -37.92 -38.71 -39.20 . . 0 "[ . 1 . 2]"
39 . 1 22 SER C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -73.10 -53.10 -71.80 -73.85 -63.01 0.75 15 0 "[ . 1 . 2]"
40 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 LEU N -48.40 -28.40 -42.48 -48.14 -35.61 . . 0 "[ . 1 . 2]"
41 . 1 23 LEU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -96.00 -76.00 -84.04 -76.43 -76.63 0.52 11 0 "[ . 1 . 2]"
42 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLN N -10.00 10.00 -6.02 -10.44 5.64 0.44 13 0 "[ . 1 . 2]"
43 . 1 24 LEU C 1 25 GLN N 1 25 GLN CA 1 25 GLN C 48.10 78.90 53.19 56.46 55.50 . . 0 "[ . 1 . 2]"
44 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 CYS N 22.50 48.10 33.39 38.32 36.02 . . 0 "[ . 1 . 2]"
45 . 1 29 GLY C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -83.70 -53.30 -59.11 -61.10 -65.10 . . 0 "[ . 1 . 2]"
46 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 THR N -39.40 -7.60 -21.81 -18.06 -19.40 . . 0 "[ . 1 . 2]"
47 . 1 30 ILE C 1 31 THR N 1 31 THR CA 1 31 THR C -108.80 -77.60 -89.59 -109.15 -79.22 0.35 5 0 "[ . 1 . 2]"
48 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 GLY N -22.90 11.50 -16.56 -23.27 -23.55 0.67 1 0 "[ . 1 . 2]"
49 . 1 32 GLY C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -133.80 -67.00 -120.28 -113.16 -115.75 . . 0 "[ . 1 . 2]"
50 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 GLU N 114.30 161.90 139.22 121.27 161.99 0.09 10 0 "[ . 1 . 2]"
51 . 1 33 LYS C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -105.80 -73.40 -83.30 -105.96 -72.80 0.60 10 0 "[ . 1 . 2]"
52 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 ARG N 114.50 142.70 142.17 142.92 142.31 0.89 16 0 "[ . 1 . 2]"
53 . 1 34 GLU C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -129.90 -75.30 -117.26 -130.03 -92.34 0.13 2 0 "[ . 1 . 2]"
54 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 LEU N 115.00 135.00 120.24 114.05 132.40 0.95 3 0 "[ . 1 . 2]"
55 . 1 35 ARG C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -109.40 -69.20 -106.82 -102.32 -106.80 0.83 3 0 "[ . 1 . 2]"
56 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LYS N 122.20 145.20 146.30 146.37 146.22 2.53 11 0 "[ . 1 . 2]"
57 . 1 36 LEU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -148.00 -114.20 -119.55 -123.57 -128.81 1.07 10 0 "[ . 1 . 2]"
58 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ALA N 129.30 162.30 135.92 129.36 147.22 . . 0 "[ . 1 . 2]"
59 . 1 37 LYS C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -144.70 -99.70 -132.11 -144.80 -119.14 0.10 8 0 "[ . 1 . 2]"
60 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 TYR N 132.10 164.30 157.71 163.74 163.33 0.39 2 0 "[ . 1 . 2]"
61 . 1 38 ALA C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -161.20 -102.60 -151.31 -161.38 -134.70 0.18 16 0 "[ . 1 . 2]"
62 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 GLY N 138.20 171.60 161.00 172.35 172.26 0.75 2 0 "[ . 1 . 2]"
63 . 1 51 ASN C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -126.00 -62.60 -94.82 -124.92 -71.57 . . 0 "[ . 1 . 2]"
64 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 PRO N 119.70 168.50 144.43 135.23 130.24 0.69 5 0 "[ . 1 . 2]"
65 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 ILE N 138.80 159.20 160.01 159.27 161.59 2.39 12 0 "[ . 1 . 2]"
66 . 1 53 PRO C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -114.90 -78.70 -90.98 -115.39 -76.37 2.33 12 0 "[ . 1 . 2]"
67 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 VAL N 106.70 138.30 133.39 108.45 140.22 1.92 17 0 "[ . 1 . 2]"
68 . 1 54 ILE C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -134.60 -97.00 -101.39 -126.10 -94.89 2.11 9 0 "[ . 1 . 2]"
69 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 SER N 118.10 153.10 148.41 149.70 148.55 0.27 12 0 "[ . 1 . 2]"
70 . 1 55 VAL C 1 56 SER N 1 56 SER CA 1 56 SER C -129.10 -93.10 -124.67 -129.93 -115.99 0.83 20 0 "[ . 1 . 2]"
71 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 THR N 128.40 151.20 148.75 139.75 151.84 0.64 9 0 "[ . 1 . 2]"
72 . 1 56 SER C 1 57 THR N 1 57 THR CA 1 57 THR C -140.20 -100.00 -103.49 -111.36 -114.61 0.57 5 0 "[ . 1 . 2]"
73 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 LYS N 123.10 149.30 143.93 133.79 149.72 0.42 4 0 "[ . 1 . 2]"
74 . 1 57 THR C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -136.70 -99.70 -127.26 -131.75 -133.80 0.00 1 0 "[ . 1 . 2]"
75 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 LYS N 124.40 152.20 128.83 131.78 128.71 . . 0 "[ . 1 . 2]"
76 . 1 58 LYS C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -146.60 -121.40 -138.76 -139.87 -141.77 0.08 3 0 "[ . 1 . 2]"
77 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 LEU N 123.20 156.20 131.28 123.59 141.96 . . 0 "[ . 1 . 2]"
78 . 1 59 LYS C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -123.20 -76.20 -109.83 -123.35 -88.23 0.15 20 0 "[ . 1 . 2]"
79 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ASP N 117.40 146.40 140.83 136.09 147.28 0.88 16 0 "[ . 1 . 2]"
80 . 1 60 LEU C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -95.40 -75.40 -92.92 -96.22 -87.56 0.82 20 0 "[ . 1 . 2]"
81 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 LYS N 158.60 -164.40 -169.93 -176.80 -163.91 0.49 13 0 "[ . 1 . 2]"
82 . 1 61 ASP C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -72.00 -52.00 -64.83 -71.74 -56.63 . . 0 "[ . 1 . 2]"
83 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 GLU N -35.30 -1.50 -15.37 -16.23 -19.70 . . 0 "[ . 1 . 2]"
84 . 1 62 LYS C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -104.60 -80.40 -86.35 -96.42 -79.91 0.49 19 0 "[ . 1 . 2]"
85 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 GLY N -13.70 6.30 -11.35 -14.22 -5.60 0.52 20 0 "[ . 1 . 2]"
86 . 1 63 GLU C 1 64 GLY N 1 64 GLY CA 1 64 GLY C 75.40 104.20 88.85 95.51 94.48 . . 0 "[ . 1 . 2]"
87 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 ARG N -7.30 27.70 7.21 -4.20 23.44 . . 0 "[ . 1 . 2]"
88 . 1 64 GLY C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -109.30 -67.90 -83.17 -69.22 -73.15 0.05 8 0 "[ . 1 . 2]"
89 . 1 65 ARG N 1 65 ARG CA 1 65 ARG C 1 66 THR N 122.00 148.60 122.96 121.24 129.84 0.76 2 0 "[ . 1 . 2]"
90 . 1 65 ARG C 1 66 THR N 1 66 THR CA 1 66 THR C -108.30 -73.50 -86.38 -100.80 -76.50 . . 0 "[ . 1 . 2]"
91 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 HIS N 121.90 141.90 133.67 133.71 132.88 . . 0 "[ . 1 . 2]"
92 . 1 66 THR C 1 67 HIS N 1 67 HIS CA 1 67 HIS C -139.10 -105.90 -111.25 -109.90 -112.26 0.34 9 0 "[ . 1 . 2]"
93 . 1 67 HIS N 1 67 HIS CA 1 67 HIS C 1 68 HIS N 122.10 148.90 144.20 136.72 149.38 0.48 5 0 "[ . 1 . 2]"
94 . 1 67 HIS C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -139.70 -116.70 -119.60 -117.47 -117.49 0.75 5 0 "[ . 1 . 2]"
95 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 TYR N 136.30 161.70 139.49 136.13 145.90 0.17 9 0 "[ . 1 . 2]"
96 . 1 68 HIS C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -127.30 -95.90 -123.65 -122.37 -123.08 0.14 3 0 "[ . 1 . 2]"
97 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 MET N 119.90 148.30 124.42 125.86 124.61 0.25 9 0 "[ . 1 . 2]"
98 . 1 69 TYR C 1 70 MET N 1 70 MET CA 1 70 MET C -149.50 -111.70 -137.06 -149.09 -129.24 . . 0 "[ . 1 . 2]"
99 . 1 70 MET N 1 70 MET CA 1 70 MET C 1 71 ARG N 127.70 147.70 137.97 137.88 135.12 0.15 11 0 "[ . 1 . 2]"
100 . 1 70 MET C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -149.70 -109.70 -143.93 -150.34 -129.96 0.64 17 0 "[ . 1 . 2]"
101 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 PHE N 134.20 163.00 146.91 148.19 145.27 . . 0 "[ . 1 . 2]"
102 . 1 71 ARG C 1 72 PHE N 1 72 PHE CA 1 72 PHE C -168.00 -148.00 -152.43 -159.31 -147.57 0.43 13 0 "[ . 1 . 2]"
103 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 HIS N 151.70 171.70 158.28 151.46 169.75 0.24 15 0 "[ . 1 . 2]"
104 . 1 72 PHE C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -138.40 -86.00 -96.80 -104.99 -108.56 . . 0 "[ . 1 . 2]"
105 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 VAL N 140.20 160.40 155.39 157.07 155.78 . . 0 "[ . 1 . 2]"
106 . 1 73 HIS C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -148.50 -124.10 -125.88 -132.54 -123.68 0.42 14 0 "[ . 1 . 2]"
107 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 GLU N 130.60 161.20 135.29 130.27 148.95 0.33 5 0 "[ . 1 . 2]"
108 . 1 74 VAL C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -132.40 -103.40 -112.68 -127.68 -103.02 0.38 9 0 "[ . 1 . 2]"
109 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 SER N 118.00 138.80 121.70 126.47 123.95 0.28 5 0 "[ . 1 . 2]"
110 . 1 75 GLU C 1 76 SER N 1 76 SER CA 1 76 SER C -116.60 -74.00 -112.95 -117.14 -101.49 0.54 6 0 "[ . 1 . 2]"
111 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 LYS N 162.70 -175.10 172.18 162.55 -178.27 0.15 3 0 "[ . 1 . 2]"
112 . 1 76 SER C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -79.40 -59.40 -75.64 -79.98 -65.24 0.58 14 0 "[ . 1 . 2]"
113 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 LYS N -33.90 -13.90 -15.20 -19.47 -13.33 0.57 5 0 "[ . 1 . 2]"
114 . 1 77 LYS C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -117.40 -86.40 -100.55 -100.06 -101.87 . . 0 "[ . 1 . 2]"
115 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 LYS N -29.20 3.00 -27.26 -26.75 -27.59 0.94 13 0 "[ . 1 . 2]"
116 . 1 79 LYS C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -148.60 -96.60 -121.31 -115.83 -116.30 . . 0 "[ . 1 . 2]"
117 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 ALA N 124.30 144.30 141.98 143.83 143.38 0.77 14 0 "[ . 1 . 2]"
118 . 1 80 ILE C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -136.10 -111.90 -130.08 -136.89 -116.92 0.79 11 0 "[ . 1 . 2]"
119 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 LEU N 128.10 157.50 157.06 157.82 157.73 0.49 7 0 "[ . 1 . 2]"
120 . 1 81 ALA C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -148.40 -113.40 -114.87 -120.67 -112.82 0.58 7 0 "[ . 1 . 2]"
121 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 VAL N 117.90 137.90 132.31 135.96 134.29 0.48 5 0 "[ . 1 . 2]"
122 . 1 82 LEU C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -124.30 -104.30 -113.83 -124.44 -104.92 0.14 2 0 "[ . 1 . 2]"
123 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 HIS N 120.30 140.30 131.01 130.15 127.22 . . 0 "[ . 1 . 2]"
124 . 1 83 VAL C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -130.20 -107.80 -127.48 -130.79 -119.94 0.59 11 0 "[ . 1 . 2]"
125 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 LEU N 117.90 154.30 127.65 131.14 130.93 0.13 18 0 "[ . 1 . 2]"
126 . 1 84 HIS C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -148.60 -126.20 -134.55 -137.25 -140.14 0.20 2 0 "[ . 1 . 2]"
127 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 GLU N 123.40 153.40 151.41 148.05 154.00 0.60 19 0 "[ . 1 . 2]"
128 . 1 85 LEU C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -139.50 -109.90 -125.60 -135.45 -116.07 . . 0 "[ . 1 . 2]"
129 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 ALA N 117.50 137.50 132.19 119.16 137.65 0.15 12 0 "[ . 1 . 2]"
130 . 1 86 GLU C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -135.70 -111.30 -124.73 -130.11 -131.33 0.13 10 0 "[ . 1 . 2]"
131 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 LYS N 124.30 153.90 149.14 133.17 154.37 0.47 5 0 "[ . 1 . 2]"
132 . 1 87 ALA C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -134.30 -111.30 -129.55 -129.79 -131.22 0.44 16 0 "[ . 1 . 2]"
133 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 GLU N 120.20 143.80 143.48 144.59 144.51 2.61 5 0 "[ . 1 . 2]"
134 . 1 88 LYS C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -111.10 -86.30 -90.21 -104.03 -84.37 1.93 6 0 "[ . 1 . 2]"
135 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 SER N 119.60 139.60 136.39 129.83 140.35 0.75 5 0 "[ . 1 . 2]"
136 . 1 89 GLU C 1 90 SER N 1 90 SER CA 1 90 SER C -129.80 -70.80 -113.04 -130.42 -81.68 0.62 19 0 "[ . 1 . 2]"
137 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 LYS N 123.60 150.60 141.59 123.40 152.04 1.44 9 0 "[ . 1 . 2]"
138 . 1 94 TYR C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -117.60 -67.20 -77.65 -113.78 -66.52 0.68 6 0 "[ . 1 . 2]"
139 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 PRO N 102.60 157.80 145.01 139.58 138.79 0.74 5 0 "[ . 1 . 2]"
140 . 1 96 PRO N 1 96 PRO CA 1 96 PRO C 1 97 ASP N 145.20 165.20 154.78 153.89 148.23 0.55 4 0 "[ . 1 . 2]"
141 . 1 96 PRO C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -140.50 -83.50 -114.93 -105.16 -109.50 . . 0 "[ . 1 . 2]"
142 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 PHE N 98.40 157.20 137.22 123.61 118.57 0.54 15 0 "[ . 1 . 2]"
143 . 1 97 ASP C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -108.30 -59.10 -70.76 -72.10 -77.29 0.44 18 0 "[ . 1 . 2]"
144 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 ILE N 119.70 142.50 134.40 123.88 139.81 . . 0 "[ . 1 . 2]"
145 . 1 98 PHE C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -122.80 -102.80 -117.95 -116.30 -117.77 0.12 16 0 "[ . 1 . 2]"
146 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 ASN N -23.90 -2.10 -18.15 -20.78 -23.06 0.77 1 0 "[ . 1 . 2]"
147 . 1 99 ILE C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -167.10 -120.90 -146.58 -156.84 -134.36 . . 0 "[ . 1 . 2]"
148 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 MET N 130.00 158.40 129.50 128.23 131.70 1.77 13 0 "[ . 1 . 2]"
149 . 1 100 ASN C 1 101 MET N 1 101 MET CA 1 101 MET C -148.40 -107.60 -148.84 -150.46 -146.19 2.06 13 0 "[ . 1 . 2]"
150 . 1 101 MET N 1 101 MET CA 1 101 MET C 1 102 TYR N 109.90 135.30 121.10 127.22 124.41 . . 0 "[ . 1 . 2]"
151 . 1 101 MET C 1 102 TYR N 1 102 TYR CA 1 102 TYR C -147.20 -107.40 -147.39 -148.60 -145.23 1.40 19 0 "[ . 1 . 2]"
152 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C 1 103 VAL N 124.00 166.00 156.80 149.69 163.87 . . 0 "[ . 1 . 2]"
153 . 1 102 TYR C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -147.10 -119.70 -123.37 -127.10 -128.97 0.48 17 0 "[ . 1 . 2]"
154 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 ASP N 131.50 160.30 149.39 140.67 159.50 . . 0 "[ . 1 . 2]"
155 . 1 103 VAL C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -126.80 -83.00 -112.27 -124.06 -125.46 0.09 3 0 "[ . 1 . 2]"
156 . 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 VAL N 115.30 138.10 118.74 114.94 126.54 0.36 6 0 "[ . 1 . 2]"
157 . 1 104 ASP C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -126.10 -70.70 -111.32 -123.55 -94.04 . . 0 "[ . 1 . 2]"
158 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 PRO N 106.20 133.00 127.88 115.75 133.47 0.47 3 0 "[ . 1 . 2]"
159 . 1 106 PRO N 1 106 PRO CA 1 106 PRO C 1 107 GLY N 127.20 149.80 128.22 132.09 131.63 1.05 16 0 "[ . 1 . 2]"
160 . 1 106 PRO C 1 107 GLY N 1 107 GLY CA 1 107 GLY C 79.60 104.00 85.70 82.47 89.30 . . 0 "[ . 1 . 2]"
161 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 GLU N -19.70 1.30 -19.05 -21.19 -12.66 1.49 12 0 "[ . 1 . 2]"
162 . 1 107 GLY C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -118.20 -72.20 -118.07 -119.87 -114.78 1.67 12 0 "[ . 1 . 2]"
163 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 LYS N 146.80 170.00 165.00 156.33 170.32 0.32 13 0 "[ . 1 . 2]"
164 . 1 108 GLU C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -116.40 -67.60 -80.54 -81.46 -83.42 . . 0 "[ . 1 . 2]"
165 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 ARG N 119.90 150.10 141.24 145.29 143.64 0.95 15 0 "[ . 1 . 2]"
166 . 1 109 LYS C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -117.70 -52.90 -63.80 -77.21 -52.63 0.27 10 0 "[ . 1 . 2]"
167 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 TYR N 113.60 143.80 137.74 140.62 139.84 0.11 17 0 "[ . 1 . 2]"
168 . 1 110 ARG C 1 111 TYR N 1 111 TYR CA 1 111 TYR C -134.00 -92.40 -114.63 -122.73 -122.87 . . 0 "[ . 1 . 2]"
169 . 1 111 TYR N 1 111 TYR CA 1 111 TYR C 1 112 TYR N 110.80 133.00 129.50 127.36 126.32 0.36 20 0 "[ . 1 . 2]"
170 . 1 111 TYR C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -95.10 -69.90 -82.26 -77.21 -79.72 . . 0 "[ . 1 . 2]"
171 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 LEU N 104.40 149.40 139.47 129.81 147.27 . . 0 "[ . 1 . 2]"
172 . 1 112 TYR C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -102.50 -82.50 -95.08 -98.09 -101.40 0.22 8 0 "[ . 1 . 2]"
173 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ILE N -47.60 -27.60 -35.72 -29.63 -31.11 0.63 18 0 "[ . 1 . 2]"
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