NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529423 |
2lkl   |
16911 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lkl
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 138
_TA_constraint_stats_list.Viol_count 430
_TA_constraint_stats_list.Viol_total 22669.63
_TA_constraint_stats_list.Viol_max 4.52
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 1.35
_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 ASN C 1 8 LYS N 1 8 LYS CA 1 8 LYS C 175.00 -21.00 -77.82 -52.70 -63.34 . . 0 "[ . 1 . 2 . 3 . ]"
2 . 1 8 LYS C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -147.00 -31.00 -77.05 -78.12 -78.59 . . 0 "[ . 1 . 2 . 3 . ]"
3 . 1 9 PHE C 1 10 THR N 1 10 THR CA 1 10 THR C -107.00 -67.00 -84.14 -83.49 -83.69 . . 0 "[ . 1 . 2 . 3 . ]"
4 . 1 10 THR C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -69.00 -49.00 -54.40 -52.95 -53.36 . . 0 "[ . 1 . 2 . 3 . ]"
5 . 1 11 ASP C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -74.00 -58.00 -65.23 -69.73 -61.90 . . 0 "[ . 1 . 2 . 3 . ]"
6 . 1 12 ASP C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -77.00 -53.00 -65.30 -65.55 -66.08 . . 0 "[ . 1 . 2 . 3 . ]"
7 . 1 13 GLU C 1 14 TRP N 1 14 TRP CA 1 14 TRP C -88.00 -44.00 -62.61 -64.63 -59.97 . . 0 "[ . 1 . 2 . 3 . ]"
8 . 1 14 TRP C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -71.00 -55.00 -55.50 -54.15 -54.37 1.20 2 0 "[ . 1 . 2 . 3 . ]"
9 . 1 15 ASN C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -74.00 -58.00 -63.64 -66.34 -60.10 . . 0 "[ . 1 . 2 . 3 . ]"
10 . 1 16 GLN C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -75.00 -55.00 -61.35 -65.60 -57.67 . . 0 "[ . 1 . 2 . 3 . ]"
11 . 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -69.00 -53.00 -59.81 -61.90 -57.44 . . 0 "[ . 1 . 2 . 3 . ]"
12 . 1 18 LYS C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -73.00 -53.00 -60.99 -64.41 -57.48 . . 0 "[ . 1 . 2 . 3 . ]"
13 . 1 19 GLN C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -80.00 -52.00 -60.70 -64.10 -56.61 . . 0 "[ . 1 . 2 . 3 . ]"
14 . 1 20 ASP C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -83.00 -51.00 -64.89 -70.47 -59.78 . . 0 "[ . 1 . 2 . 3 . ]"
15 . 1 21 PHE C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -72.00 -60.00 -58.12 -58.28 -58.38 3.42 3 0 "[ . 1 . 2 . 3 . ]"
16 . 1 22 ILE C 1 23 SER N 1 23 SER CA 1 23 SER C -68.00 -52.00 -56.67 -57.13 -57.56 . . 0 "[ . 1 . 2 . 3 . ]"
17 . 1 23 SER C 1 24 GLY N 1 24 GLY CA 1 24 GLY C -92.00 -44.00 -61.51 -70.89 -55.53 . . 0 "[ . 1 . 2 . 3 . ]"
18 . 1 25 ILE C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -96.00 -40.00 -80.57 -92.04 -68.54 . . 0 "[ . 1 . 2 . 3 . ]"
19 . 1 26 LEU C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -93.00 -53.00 -74.98 -70.01 -71.16 . . 0 "[ . 1 . 2 . 3 . ]"
20 . 1 28 ASN C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -95.00 -43.00 -59.75 -56.07 -57.00 . . 0 "[ . 1 . 2 . 3 . ]"
21 . 1 29 GLU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -85.00 -49.00 -51.76 -55.01 -55.49 1.58 5 0 "[ . 1 . 2 . 3 . ]"
22 . 1 30 GLN C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -108.00 -40.00 -53.79 -50.22 -51.61 0.03 16 0 "[ . 1 . 2 . 3 . ]"
23 . 1 32 ASP C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -89.00 -37.00 -61.71 -67.96 -51.78 . . 0 "[ . 1 . 2 . 3 . ]"
24 . 1 33 LEU C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -113.00 -29.00 -65.82 -63.54 -63.85 . . 0 "[ . 1 . 2 . 3 . ]"
25 . 1 34 VAL C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -89.00 -45.00 -61.35 -60.59 -60.82 . . 0 "[ . 1 . 2 . 3 . ]"
26 . 1 35 ALA C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -105.00 -41.00 -63.30 -68.54 -74.71 . . 0 "[ . 1 . 2 . 3 . ]"
27 . 1 36 LYS C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -127.00 -35.00 -63.26 -78.33 -46.76 . . 0 "[ . 1 . 2 . 3 . ]"
28 . 1 42 PRO C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -106.00 -34.00 -85.52 -108.36 -52.52 2.36 35 0 "[ . 1 . 2 . 3 . ]"
29 . 1 47 LEU C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -77.00 -53.00 -59.24 -62.16 -55.14 . . 0 "[ . 1 . 2 . 3 . ]"
30 . 1 48 ASP C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -69.00 -61.00 -67.54 -69.79 -69.99 1.19 1 0 "[ . 1 . 2 . 3 . ]"
31 . 1 49 LEU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -69.00 -61.00 -58.89 -59.64 -59.85 3.63 8 0 "[ . 1 . 2 . 3 . ]"
32 . 1 50 LEU C 1 51 HIS N 1 51 HIS CA 1 51 HIS C -70.00 -58.00 -59.07 -62.32 -56.89 1.11 12 0 "[ . 1 . 2 . 3 . ]"
33 . 1 51 HIS C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -76.00 -52.00 -60.58 -59.16 -59.50 . . 0 "[ . 1 . 2 . 3 . ]"
34 . 1 52 LYS C 1 53 TRP N 1 53 TRP CA 1 53 TRP C -86.00 -50.00 -57.30 -60.44 -53.69 . . 0 "[ . 1 . 2 . 3 . ]"
35 . 1 53 TRP C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -72.00 -56.00 -56.57 -59.03 -54.59 1.41 18 0 "[ . 1 . 2 . 3 . ]"
36 . 1 54 LEU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -79.00 -51.00 -56.29 -59.65 -53.63 . . 0 "[ . 1 . 2 . 3 . ]"
37 . 1 55 ASP C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -70.00 -54.00 -62.86 -63.14 -63.24 . . 0 "[ . 1 . 2 . 3 . ]"
38 . 1 57 HIS C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -73.00 -45.00 -53.80 -59.89 -49.62 . . 0 "[ . 1 . 2 . 3 . ]"
39 . 1 58 ARG C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -67.00 -55.00 -57.63 -58.71 -58.94 1.26 36 0 "[ . 1 . 2 . 3 . ]"
40 . 1 59 ASP C 1 60 MET N 1 60 MET CA 1 60 MET C -72.00 -52.00 -57.83 -62.97 -54.36 . . 0 "[ . 1 . 2 . 3 . ]"
41 . 1 60 MET C 1 61 CYS N 1 61 CYS CA 1 61 CYS C -77.00 -49.00 -62.23 -60.29 -60.77 . . 0 "[ . 1 . 2 . 3 . ]"
42 . 1 61 CYS C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -87.00 -47.00 -73.58 -77.57 -68.18 . . 0 "[ . 1 . 2 . 3 . ]"
43 . 1 68 GLU C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -75.00 -59.00 -62.71 -60.95 -61.39 . . 0 "[ . 1 . 2 . 3 . ]"
44 . 1 69 ASP C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -73.00 -53.00 -59.54 -62.36 -56.40 . . 0 "[ . 1 . 2 . 3 . ]"
45 . 1 70 ILE C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -67.00 -51.00 -56.15 -59.28 -53.14 . . 0 "[ . 1 . 2 . 3 . ]"
46 . 1 71 LEU C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -73.00 -53.00 -60.82 -64.25 -57.51 . . 0 "[ . 1 . 2 . 3 . ]"
47 . 1 72 HIS C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -78.00 -54.00 -62.12 -62.11 -62.76 . . 0 "[ . 1 . 2 . 3 . ]"
48 . 1 73 LYS C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -76.00 -48.00 -57.39 -56.90 -57.13 . . 0 "[ . 1 . 2 . 3 . ]"
49 . 1 74 LEU C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -77.00 -53.00 -56.21 -57.60 -57.84 0.36 3 0 "[ . 1 . 2 . 3 . ]"
50 . 1 75 ASN C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -76.00 -56.00 -66.68 -71.08 -63.57 . . 0 "[ . 1 . 2 . 3 . ]"
51 . 1 76 GLU C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -77.00 -53.00 -70.79 -67.32 -68.12 . . 0 "[ . 1 . 2 . 3 . ]"
52 . 1 77 GLN C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -91.00 -47.00 -55.85 -57.83 -58.12 . . 0 "[ . 1 . 2 . 3 . ]"
53 . 1 78 TRP C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -89.00 -57.00 -66.55 -77.55 -58.52 . . 0 "[ . 1 . 2 . 3 . ]"
54 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 PHE N 86.00 -174.00 172.55 152.70 -172.42 1.58 11 0 "[ . 1 . 2 . 3 . ]"
55 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 THR N 112.00 172.00 146.21 147.13 145.83 . . 0 "[ . 1 . 2 . 3 . ]"
56 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 ASP N 123.00 -161.00 160.80 157.20 167.23 . . 0 "[ . 1 . 2 . 3 . ]"
57 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 ASP N -51.00 -27.00 -41.33 -43.53 -38.41 . . 0 "[ . 1 . 2 . 3 . ]"
58 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 GLU N -48.00 -32.00 -46.00 -46.78 -47.16 1.70 33 0 "[ . 1 . 2 . 3 . ]"
59 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 TRP N -52.00 -32.00 -39.41 -36.23 -37.43 . . 0 "[ . 1 . 2 . 3 . ]"
60 . 1 14 TRP N 1 14 TRP CA 1 14 TRP C 1 15 ASN N -50.00 -34.00 -47.06 -49.43 -49.72 . . 0 "[ . 1 . 2 . 3 . ]"
61 . 1 15 ASN N 1 15 ASN CA 1 15 ASN C 1 16 GLN N -56.00 -24.00 -39.94 -43.89 -37.37 . . 0 "[ . 1 . 2 . 3 . ]"
62 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 LEU N -56.00 -24.00 -43.09 -42.65 -42.96 . . 0 "[ . 1 . 2 . 3 . ]"
63 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LYS N -52.00 -24.00 -38.48 -37.42 -37.62 . . 0 "[ . 1 . 2 . 3 . ]"
64 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 GLN N -56.00 -28.00 -45.43 -48.19 -42.09 . . 0 "[ . 1 . 2 . 3 . ]"
65 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 ASP N -59.00 -19.00 -42.04 -45.27 -38.44 . . 0 "[ . 1 . 2 . 3 . ]"
66 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 PHE N -53.00 -25.00 -43.91 -41.35 -41.82 . . 0 "[ . 1 . 2 . 3 . ]"
67 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 ILE N -52.00 -28.00 -47.02 -46.91 -46.92 1.40 17 0 "[ . 1 . 2 . 3 . ]"
68 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 SER N -53.00 -33.00 -47.27 -46.01 -46.80 . . 0 "[ . 1 . 2 . 3 . ]"
69 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 GLY N -58.00 -26.00 -42.81 -42.44 -42.72 . . 0 "[ . 1 . 2 . 3 . ]"
70 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 ILE N -66.00 -18.00 -34.07 -35.79 -36.29 . . 0 "[ . 1 . 2 . 3 . ]"
71 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 GLU N -64.00 -8.00 -27.83 -34.22 -20.72 . . 0 "[ . 1 . 2 . 3 . ]"
72 . 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 ASN N -62.00 -2.00 -36.50 -36.19 -37.08 . . 0 "[ . 1 . 2 . 3 . ]"
73 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLN N -63.00 -3.00 -25.37 -30.65 -17.89 . . 0 "[ . 1 . 2 . 3 . ]"
74 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 LYS N -78.00 14.00 -13.53 -12.65 -14.04 . . 0 "[ . 1 . 2 . 3 . ]"
75 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 ASP N -79.00 33.00 -32.97 -42.84 -21.01 . . 0 "[ . 1 . 2 . 3 . ]"
76 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 VAL N -75.00 -7.00 -42.01 -43.12 -43.68 . . 0 "[ . 1 . 2 . 3 . ]"
77 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ALA N -71.00 -11.00 -36.98 -49.51 -19.09 . . 0 "[ . 1 . 2 . 3 . ]"
78 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 LYS N -59.00 -3.00 -42.48 -56.91 -35.89 . . 0 "[ . 1 . 2 . 3 . ]"
79 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 LEU N -72.00 32.00 -41.36 -35.08 -35.85 . . 0 "[ . 1 . 2 . 3 . ]"
80 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 THR N -84.00 40.00 -41.76 -55.44 -35.96 . . 0 "[ . 1 . 2 . 3 . ]"
81 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 MET N -105.00 35.00 -40.72 -97.48 28.92 . . 0 "[ . 1 . 2 . 3 . ]"
82 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 LEU N -62.00 -18.00 -53.02 -59.36 -62.37 0.37 1 0 "[ . 1 . 2 . 3 . ]"
83 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 LEU N -50.00 -30.00 -40.31 -45.18 -33.49 . . 0 "[ . 1 . 2 . 3 . ]"
84 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 HIS N -44.00 -36.00 -44.52 -45.10 -45.40 2.67 25 0 "[ . 1 . 2 . 3 . ]"
85 . 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 LYS N -53.00 -33.00 -48.28 -48.03 -48.54 . . 0 "[ . 1 . 2 . 3 . ]"
86 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 TRP N -54.00 -22.00 -47.65 -53.24 -43.17 . . 0 "[ . 1 . 2 . 3 . ]"
87 . 1 53 TRP N 1 53 TRP CA 1 53 TRP C 1 54 LEU N -57.00 -25.00 -54.18 -57.74 -49.01 0.74 38 0 "[ . 1 . 2 . 3 . ]"
88 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 ASP N -52.00 -32.00 -51.14 -50.21 -50.38 2.74 6 0 "[ . 1 . 2 . 3 . ]"
89 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 ARG N -66.00 -18.00 -42.96 -47.92 -39.27 . . 0 "[ . 1 . 2 . 3 . ]"
90 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 HIS N -59.00 -27.00 -31.78 -32.16 -32.27 . . 0 "[ . 1 . 2 . 3 . ]"
91 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 ASP N -56.00 -36.00 -34.81 -38.44 -32.38 3.62 31 0 "[ . 1 . 2 . 3 . ]"
92 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 MET N -56.00 -12.00 -30.76 -50.67 -25.66 . . 0 "[ . 1 . 2 . 3 . ]"
93 . 1 60 MET N 1 60 MET CA 1 60 MET C 1 61 CYS N -52.00 -28.00 -30.12 -37.46 -26.79 1.21 35 0 "[ . 1 . 2 . 3 . ]"
94 . 1 61 CYS N 1 61 CYS CA 1 61 CYS C 1 62 GLU N -54.00 -30.00 -28.97 -26.25 -27.19 3.75 2 0 "[ . 1 . 2 . 3 . ]"
95 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 LYS N -62.00 -14.00 -15.34 -29.05 -10.88 3.12 4 0 "[ . 1 . 2 . 3 . ]"
96 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 ILE N -52.00 -32.00 -45.76 -43.94 -44.23 0.03 22 0 "[ . 1 . 2 . 3 . ]"
97 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 LEU N -56.00 -36.00 -43.51 -42.63 -43.10 . . 0 "[ . 1 . 2 . 3 . ]"
98 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 HIS N -52.00 -28.00 -41.11 -43.20 -37.75 . . 0 "[ . 1 . 2 . 3 . ]"
99 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 LYS N -54.00 -30.00 -44.90 -43.20 -43.63 . . 0 "[ . 1 . 2 . 3 . ]"
100 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 LEU N -53.00 -25.00 -50.82 -53.62 -47.26 0.62 32 0 "[ . 1 . 2 . 3 . ]"
101 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 ASN N -53.00 -29.00 -39.79 -46.25 -35.38 . . 0 "[ . 1 . 2 . 3 . ]"
102 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 GLU N -52.00 -28.00 -46.82 -45.50 -46.16 . . 0 "[ . 1 . 2 . 3 . ]"
103 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 GLN N -61.00 -17.00 -39.85 -43.16 -35.75 . . 0 "[ . 1 . 2 . 3 . ]"
104 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 TRP N -53.00 -25.00 -39.45 -46.09 -31.72 . . 0 "[ . 1 . 2 . 3 . ]"
105 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 ASN N -49.00 -25.00 -43.17 -41.89 -42.39 0.91 14 0 "[ . 1 . 2 . 3 . ]"
106 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 LYS N -46.00 2.00 -38.66 -41.20 -41.29 0.23 18 0 "[ . 1 . 2 . 3 . ]"
107 . 1 9 PHE N 1 9 PHE CA 1 9 PHE CB 1 9 PHE CG -80.00 -40.00 -71.87 -78.10 -65.64 . . 0 "[ . 1 . 2 . 3 . ]"
108 . 1 11 ASP N 1 11 ASP CA 1 11 ASP CB 1 11 ASP CG -80.00 -40.00 -67.78 -76.32 -60.28 . . 0 "[ . 1 . 2 . 3 . ]"
109 . 1 12 ASP N 1 12 ASP CA 1 12 ASP CB 1 12 ASP CG -80.00 -40.00 -66.68 -71.09 -71.91 . . 0 "[ . 1 . 2 . 3 . ]"
110 . 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG -80.00 -40.00 -69.39 -66.83 -67.43 . . 0 "[ . 1 . 2 . 3 . ]"
111 . 1 15 ASN N 1 15 ASN CA 1 15 ASN CB 1 15 ASN CG -80.00 -40.00 -66.95 -79.40 -58.21 . . 0 "[ . 1 . 2 . 3 . ]"
112 . 1 17 LEU N 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 160.00 -160.00 179.80 -176.52 -177.14 . . 0 "[ . 1 . 2 . 3 . ]"
113 . 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG -80.00 -40.00 -64.69 -73.32 -53.15 . . 0 "[ . 1 . 2 . 3 . ]"
114 . 1 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG -80.00 -40.00 -65.73 -68.24 -69.28 . . 0 "[ . 1 . 2 . 3 . ]"
115 . 1 21 PHE N 1 21 PHE CA 1 21 PHE CB 1 21 PHE CG -80.00 -40.00 -76.92 -79.24 -79.78 1.70 34 0 "[ . 1 . 2 . 3 . ]"
116 . 1 49 LEU N 1 49 LEU CA 1 49 LEU CB 1 49 LEU CG -80.00 -40.00 -64.79 -80.99 -43.77 0.99 7 0 "[ . 1 . 2 . 3 . ]"
117 . 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 160.00 -160.00 -170.10 -170.09 -170.79 . . 0 "[ . 1 . 2 . 3 . ]"
118 . 1 55 ASP N 1 55 ASP CA 1 55 ASP CB 1 55 ASP CG -80.00 -40.00 -66.77 -80.37 -57.26 0.37 28 0 "[ . 1 . 2 . 3 . ]"
119 . 1 57 HIS N 1 57 HIS CA 1 57 HIS CB 1 57 HIS CG -80.00 -40.00 -58.75 -68.90 -48.29 . . 0 "[ . 1 . 2 . 3 . ]"
120 . 1 58 ARG N 1 58 ARG CA 1 58 ARG CB 1 58 ARG CG 40.00 80.00 63.22 53.05 70.68 . . 0 "[ . 1 . 2 . 3 . ]"
121 . 1 60 MET N 1 60 MET CA 1 60 MET CB 1 60 MET CG 40.00 80.00 78.15 50.65 84.13 4.13 23 0 "[ . 1 . 2 . 3 . ]"
122 . 1 61 CYS N 1 61 CYS CA 1 61 CYS CB 1 61 CYS SG 40.00 80.00 74.10 78.56 77.12 2.60 22 0 "[ . 1 . 2 . 3 . ]"
123 . 1 66 SER N 1 66 SER CA 1 66 SER CB 1 66 SER OG 40.00 80.00 59.88 60.72 59.56 1.04 26 0 "[ . 1 . 2 . 3 . ]"
124 . 1 71 LEU N 1 71 LEU CA 1 71 LEU CB 1 71 LEU CG -80.00 -40.00 -67.59 -71.86 -78.53 3.67 9 0 "[ . 1 . 2 . 3 . ]"
125 . 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG -80.00 -40.00 -61.82 -83.30 -47.99 3.30 28 0 "[ . 1 . 2 . 3 . ]"
126 . 1 74 LEU N 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG -80.00 -40.00 -82.07 -84.52 -77.97 4.52 6 0 "[ . 1 . 2 . 3 . ]"
127 . 1 75 ASN N 1 75 ASN CA 1 75 ASN CB 1 75 ASN CG -80.00 -40.00 -63.19 -62.93 -63.74 . . 0 "[ . 1 . 2 . 3 . ]"
128 . 1 79 ASN N 1 79 ASN CA 1 79 ASN CB 1 79 ASN CG -80.00 -40.00 -62.25 -57.46 -57.62 . . 0 "[ . 1 . 2 . 3 . ]"
129 . 1 22 ILE N 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 -80.00 -40.00 -64.69 -70.69 -60.71 . . 0 "[ . 1 . 2 . 3 . ]"
130 . 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -80.00 -40.00 -63.60 -53.23 -54.84 1.47 26 0 "[ . 1 . 2 . 3 . ]"
131 . 1 70 ILE N 1 70 ILE CA 1 70 ILE CB 1 70 ILE CG1 -80.00 -40.00 -60.64 -57.34 -58.43 . . 0 "[ . 1 . 2 . 3 . ]"
132 . 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 40.00 80.00 61.19 49.76 74.26 . . 0 "[ . 1 . 2 . 3 . ]"
133 . 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 1 22 ILE CD1 160.00 -160.00 168.22 163.14 162.58 1.05 4 0 "[ . 1 . 2 . 3 . ]"
134 . 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG 1 74 LEU CD2 160.00 -160.00 -179.57 160.60 -158.15 1.85 36 0 "[ . 1 . 2 . 3 . ]"
135 . 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD2 160.00 -160.00 -162.06 -168.27 -157.38 2.62 18 0 "[ . 1 . 2 . 3 . ]"
136 . 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG 1 50 LEU CD1 160.00 -160.00 179.93 160.92 -164.59 . . 0 "[ . 1 . 2 . 3 . ]"
137 . 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD2 160.00 -160.00 -162.58 -164.97 -166.35 1.68 30 0 "[ . 1 . 2 . 3 . ]"
138 . 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 1 17 LEU CD2 160.00 -160.00 -170.72 168.14 -160.37 . . 0 "[ . 1 . 2 . 3 . ]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 138
_TA_constraint_stats_list.Viol_count 430
_TA_constraint_stats_list.Viol_total 22669.63
_TA_constraint_stats_list.Viol_max 4.52
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 1.35
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 ASN C 1 8 LYS N 1 8 LYS CA 1 8 LYS C 175.00 -21.00 -77.82 -52.70 -63.34 . . 0 "[ . 1 . 2 . 3 . ]"
2 . 1 8 LYS C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -147.00 -31.00 -77.05 -78.12 -78.59 . . 0 "[ . 1 . 2 . 3 . ]"
3 . 1 9 PHE C 1 10 THR N 1 10 THR CA 1 10 THR C -107.00 -67.00 -84.14 -83.49 -83.69 . . 0 "[ . 1 . 2 . 3 . ]"
4 . 1 10 THR C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -69.00 -49.00 -54.40 -52.95 -53.36 . . 0 "[ . 1 . 2 . 3 . ]"
5 . 1 11 ASP C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -74.00 -58.00 -65.23 -69.73 -61.90 . . 0 "[ . 1 . 2 . 3 . ]"
6 . 1 12 ASP C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -77.00 -53.00 -65.30 -65.55 -66.08 . . 0 "[ . 1 . 2 . 3 . ]"
7 . 1 13 GLU C 1 14 TRP N 1 14 TRP CA 1 14 TRP C -88.00 -44.00 -62.61 -64.63 -59.97 . . 0 "[ . 1 . 2 . 3 . ]"
8 . 1 14 TRP C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -71.00 -55.00 -55.50 -54.15 -54.37 1.20 2 0 "[ . 1 . 2 . 3 . ]"
9 . 1 15 ASN C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -74.00 -58.00 -63.64 -66.34 -60.10 . . 0 "[ . 1 . 2 . 3 . ]"
10 . 1 16 GLN C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -75.00 -55.00 -61.35 -65.60 -57.67 . . 0 "[ . 1 . 2 . 3 . ]"
11 . 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -69.00 -53.00 -59.81 -61.90 -57.44 . . 0 "[ . 1 . 2 . 3 . ]"
12 . 1 18 LYS C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -73.00 -53.00 -60.99 -64.41 -57.48 . . 0 "[ . 1 . 2 . 3 . ]"
13 . 1 19 GLN C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -80.00 -52.00 -60.70 -64.10 -56.61 . . 0 "[ . 1 . 2 . 3 . ]"
14 . 1 20 ASP C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -83.00 -51.00 -64.89 -70.47 -59.78 . . 0 "[ . 1 . 2 . 3 . ]"
15 . 1 21 PHE C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -72.00 -60.00 -58.12 -58.28 -58.38 3.42 3 0 "[ . 1 . 2 . 3 . ]"
16 . 1 22 ILE C 1 23 SER N 1 23 SER CA 1 23 SER C -68.00 -52.00 -56.67 -57.13 -57.56 . . 0 "[ . 1 . 2 . 3 . ]"
17 . 1 23 SER C 1 24 GLY N 1 24 GLY CA 1 24 GLY C -92.00 -44.00 -61.51 -70.89 -55.53 . . 0 "[ . 1 . 2 . 3 . ]"
18 . 1 25 ILE C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -96.00 -40.00 -80.57 -92.04 -68.54 . . 0 "[ . 1 . 2 . 3 . ]"
19 . 1 26 LEU C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -93.00 -53.00 -74.98 -70.01 -71.16 . . 0 "[ . 1 . 2 . 3 . ]"
20 . 1 28 ASN C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -95.00 -43.00 -59.75 -56.07 -57.00 . . 0 "[ . 1 . 2 . 3 . ]"
21 . 1 29 GLU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -85.00 -49.00 -51.76 -55.01 -55.49 1.58 5 0 "[ . 1 . 2 . 3 . ]"
22 . 1 30 GLN C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -108.00 -40.00 -53.79 -50.22 -51.61 0.03 16 0 "[ . 1 . 2 . 3 . ]"
23 . 1 32 ASP C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -89.00 -37.00 -61.71 -67.96 -51.78 . . 0 "[ . 1 . 2 . 3 . ]"
24 . 1 33 LEU C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -113.00 -29.00 -65.82 -63.54 -63.85 . . 0 "[ . 1 . 2 . 3 . ]"
25 . 1 34 VAL C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -89.00 -45.00 -61.35 -60.59 -60.82 . . 0 "[ . 1 . 2 . 3 . ]"
26 . 1 35 ALA C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -105.00 -41.00 -63.30 -68.54 -74.71 . . 0 "[ . 1 . 2 . 3 . ]"
27 . 1 36 LYS C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -127.00 -35.00 -63.26 -78.33 -46.76 . . 0 "[ . 1 . 2 . 3 . ]"
28 . 1 42 PRO C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -106.00 -34.00 -85.52 -108.36 -52.52 2.36 35 0 "[ . 1 . 2 . 3 . ]"
29 . 1 47 LEU C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -77.00 -53.00 -59.24 -62.16 -55.14 . . 0 "[ . 1 . 2 . 3 . ]"
30 . 1 48 ASP C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -69.00 -61.00 -67.54 -69.79 -69.99 1.19 1 0 "[ . 1 . 2 . 3 . ]"
31 . 1 49 LEU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -69.00 -61.00 -58.89 -59.64 -59.85 3.63 8 0 "[ . 1 . 2 . 3 . ]"
32 . 1 50 LEU C 1 51 HIS N 1 51 HIS CA 1 51 HIS C -70.00 -58.00 -59.07 -62.32 -56.89 1.11 12 0 "[ . 1 . 2 . 3 . ]"
33 . 1 51 HIS C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -76.00 -52.00 -60.58 -59.16 -59.50 . . 0 "[ . 1 . 2 . 3 . ]"
34 . 1 52 LYS C 1 53 TRP N 1 53 TRP CA 1 53 TRP C -86.00 -50.00 -57.30 -60.44 -53.69 . . 0 "[ . 1 . 2 . 3 . ]"
35 . 1 53 TRP C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -72.00 -56.00 -56.57 -59.03 -54.59 1.41 18 0 "[ . 1 . 2 . 3 . ]"
36 . 1 54 LEU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -79.00 -51.00 -56.29 -59.65 -53.63 . . 0 "[ . 1 . 2 . 3 . ]"
37 . 1 55 ASP C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -70.00 -54.00 -62.86 -63.14 -63.24 . . 0 "[ . 1 . 2 . 3 . ]"
38 . 1 57 HIS C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -73.00 -45.00 -53.80 -59.89 -49.62 . . 0 "[ . 1 . 2 . 3 . ]"
39 . 1 58 ARG C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -67.00 -55.00 -57.63 -58.71 -58.94 1.26 36 0 "[ . 1 . 2 . 3 . ]"
40 . 1 59 ASP C 1 60 MET N 1 60 MET CA 1 60 MET C -72.00 -52.00 -57.83 -62.97 -54.36 . . 0 "[ . 1 . 2 . 3 . ]"
41 . 1 60 MET C 1 61 CYS N 1 61 CYS CA 1 61 CYS C -77.00 -49.00 -62.23 -60.29 -60.77 . . 0 "[ . 1 . 2 . 3 . ]"
42 . 1 61 CYS C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -87.00 -47.00 -73.58 -77.57 -68.18 . . 0 "[ . 1 . 2 . 3 . ]"
43 . 1 68 GLU C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -75.00 -59.00 -62.71 -60.95 -61.39 . . 0 "[ . 1 . 2 . 3 . ]"
44 . 1 69 ASP C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -73.00 -53.00 -59.54 -62.36 -56.40 . . 0 "[ . 1 . 2 . 3 . ]"
45 . 1 70 ILE C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -67.00 -51.00 -56.15 -59.28 -53.14 . . 0 "[ . 1 . 2 . 3 . ]"
46 . 1 71 LEU C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -73.00 -53.00 -60.82 -64.25 -57.51 . . 0 "[ . 1 . 2 . 3 . ]"
47 . 1 72 HIS C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -78.00 -54.00 -62.12 -62.11 -62.76 . . 0 "[ . 1 . 2 . 3 . ]"
48 . 1 73 LYS C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -76.00 -48.00 -57.39 -56.90 -57.13 . . 0 "[ . 1 . 2 . 3 . ]"
49 . 1 74 LEU C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -77.00 -53.00 -56.21 -57.60 -57.84 0.36 3 0 "[ . 1 . 2 . 3 . ]"
50 . 1 75 ASN C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -76.00 -56.00 -66.68 -71.08 -63.57 . . 0 "[ . 1 . 2 . 3 . ]"
51 . 1 76 GLU C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -77.00 -53.00 -70.79 -67.32 -68.12 . . 0 "[ . 1 . 2 . 3 . ]"
52 . 1 77 GLN C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -91.00 -47.00 -55.85 -57.83 -58.12 . . 0 "[ . 1 . 2 . 3 . ]"
53 . 1 78 TRP C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -89.00 -57.00 -66.55 -77.55 -58.52 . . 0 "[ . 1 . 2 . 3 . ]"
54 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 PHE N 86.00 -174.00 172.55 152.70 -172.42 1.58 11 0 "[ . 1 . 2 . 3 . ]"
55 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 THR N 112.00 172.00 146.21 147.13 145.83 . . 0 "[ . 1 . 2 . 3 . ]"
56 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 ASP N 123.00 -161.00 160.80 157.20 167.23 . . 0 "[ . 1 . 2 . 3 . ]"
57 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 ASP N -51.00 -27.00 -41.33 -43.53 -38.41 . . 0 "[ . 1 . 2 . 3 . ]"
58 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 GLU N -48.00 -32.00 -46.00 -46.78 -47.16 1.70 33 0 "[ . 1 . 2 . 3 . ]"
59 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 TRP N -52.00 -32.00 -39.41 -36.23 -37.43 . . 0 "[ . 1 . 2 . 3 . ]"
60 . 1 14 TRP N 1 14 TRP CA 1 14 TRP C 1 15 ASN N -50.00 -34.00 -47.06 -49.43 -49.72 . . 0 "[ . 1 . 2 . 3 . ]"
61 . 1 15 ASN N 1 15 ASN CA 1 15 ASN C 1 16 GLN N -56.00 -24.00 -39.94 -43.89 -37.37 . . 0 "[ . 1 . 2 . 3 . ]"
62 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 LEU N -56.00 -24.00 -43.09 -42.65 -42.96 . . 0 "[ . 1 . 2 . 3 . ]"
63 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LYS N -52.00 -24.00 -38.48 -37.42 -37.62 . . 0 "[ . 1 . 2 . 3 . ]"
64 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 GLN N -56.00 -28.00 -45.43 -48.19 -42.09 . . 0 "[ . 1 . 2 . 3 . ]"
65 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 ASP N -59.00 -19.00 -42.04 -45.27 -38.44 . . 0 "[ . 1 . 2 . 3 . ]"
66 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 PHE N -53.00 -25.00 -43.91 -41.35 -41.82 . . 0 "[ . 1 . 2 . 3 . ]"
67 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 ILE N -52.00 -28.00 -47.02 -46.91 -46.92 1.40 17 0 "[ . 1 . 2 . 3 . ]"
68 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 SER N -53.00 -33.00 -47.27 -46.01 -46.80 . . 0 "[ . 1 . 2 . 3 . ]"
69 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 GLY N -58.00 -26.00 -42.81 -42.44 -42.72 . . 0 "[ . 1 . 2 . 3 . ]"
70 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 ILE N -66.00 -18.00 -34.07 -35.79 -36.29 . . 0 "[ . 1 . 2 . 3 . ]"
71 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 GLU N -64.00 -8.00 -27.83 -34.22 -20.72 . . 0 "[ . 1 . 2 . 3 . ]"
72 . 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 ASN N -62.00 -2.00 -36.50 -36.19 -37.08 . . 0 "[ . 1 . 2 . 3 . ]"
73 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLN N -63.00 -3.00 -25.37 -30.65 -17.89 . . 0 "[ . 1 . 2 . 3 . ]"
74 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 LYS N -78.00 14.00 -13.53 -12.65 -14.04 . . 0 "[ . 1 . 2 . 3 . ]"
75 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 ASP N -79.00 33.00 -32.97 -42.84 -21.01 . . 0 "[ . 1 . 2 . 3 . ]"
76 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 VAL N -75.00 -7.00 -42.01 -43.12 -43.68 . . 0 "[ . 1 . 2 . 3 . ]"
77 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ALA N -71.00 -11.00 -36.98 -49.51 -19.09 . . 0 "[ . 1 . 2 . 3 . ]"
78 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 LYS N -59.00 -3.00 -42.48 -56.91 -35.89 . . 0 "[ . 1 . 2 . 3 . ]"
79 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 LEU N -72.00 32.00 -41.36 -35.08 -35.85 . . 0 "[ . 1 . 2 . 3 . ]"
80 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 THR N -84.00 40.00 -41.76 -55.44 -35.96 . . 0 "[ . 1 . 2 . 3 . ]"
81 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 MET N -105.00 35.00 -40.72 -97.48 28.92 . . 0 "[ . 1 . 2 . 3 . ]"
82 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 LEU N -62.00 -18.00 -53.02 -59.36 -62.37 0.37 1 0 "[ . 1 . 2 . 3 . ]"
83 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 LEU N -50.00 -30.00 -40.31 -45.18 -33.49 . . 0 "[ . 1 . 2 . 3 . ]"
84 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 HIS N -44.00 -36.00 -44.52 -45.10 -45.40 2.67 25 0 "[ . 1 . 2 . 3 . ]"
85 . 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 LYS N -53.00 -33.00 -48.28 -48.03 -48.54 . . 0 "[ . 1 . 2 . 3 . ]"
86 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 TRP N -54.00 -22.00 -47.65 -53.24 -43.17 . . 0 "[ . 1 . 2 . 3 . ]"
87 . 1 53 TRP N 1 53 TRP CA 1 53 TRP C 1 54 LEU N -57.00 -25.00 -54.18 -57.74 -49.01 0.74 38 0 "[ . 1 . 2 . 3 . ]"
88 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 ASP N -52.00 -32.00 -51.14 -50.21 -50.38 2.74 6 0 "[ . 1 . 2 . 3 . ]"
89 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 ARG N -66.00 -18.00 -42.96 -47.92 -39.27 . . 0 "[ . 1 . 2 . 3 . ]"
90 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 HIS N -59.00 -27.00 -31.78 -32.16 -32.27 . . 0 "[ . 1 . 2 . 3 . ]"
91 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 ASP N -56.00 -36.00 -34.81 -38.44 -32.38 3.62 31 0 "[ . 1 . 2 . 3 . ]"
92 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 MET N -56.00 -12.00 -30.76 -50.67 -25.66 . . 0 "[ . 1 . 2 . 3 . ]"
93 . 1 60 MET N 1 60 MET CA 1 60 MET C 1 61 CYS N -52.00 -28.00 -30.12 -37.46 -26.79 1.21 35 0 "[ . 1 . 2 . 3 . ]"
94 . 1 61 CYS N 1 61 CYS CA 1 61 CYS C 1 62 GLU N -54.00 -30.00 -28.97 -26.25 -27.19 3.75 2 0 "[ . 1 . 2 . 3 . ]"
95 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 LYS N -62.00 -14.00 -15.34 -29.05 -10.88 3.12 4 0 "[ . 1 . 2 . 3 . ]"
96 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 ILE N -52.00 -32.00 -45.76 -43.94 -44.23 0.03 22 0 "[ . 1 . 2 . 3 . ]"
97 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 LEU N -56.00 -36.00 -43.51 -42.63 -43.10 . . 0 "[ . 1 . 2 . 3 . ]"
98 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 HIS N -52.00 -28.00 -41.11 -43.20 -37.75 . . 0 "[ . 1 . 2 . 3 . ]"
99 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 LYS N -54.00 -30.00 -44.90 -43.20 -43.63 . . 0 "[ . 1 . 2 . 3 . ]"
100 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 LEU N -53.00 -25.00 -50.82 -53.62 -47.26 0.62 32 0 "[ . 1 . 2 . 3 . ]"
101 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 ASN N -53.00 -29.00 -39.79 -46.25 -35.38 . . 0 "[ . 1 . 2 . 3 . ]"
102 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 GLU N -52.00 -28.00 -46.82 -45.50 -46.16 . . 0 "[ . 1 . 2 . 3 . ]"
103 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 GLN N -61.00 -17.00 -39.85 -43.16 -35.75 . . 0 "[ . 1 . 2 . 3 . ]"
104 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 TRP N -53.00 -25.00 -39.45 -46.09 -31.72 . . 0 "[ . 1 . 2 . 3 . ]"
105 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 ASN N -49.00 -25.00 -43.17 -41.89 -42.39 0.91 14 0 "[ . 1 . 2 . 3 . ]"
106 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 LYS N -46.00 2.00 -38.66 -41.20 -41.29 0.23 18 0 "[ . 1 . 2 . 3 . ]"
107 . 1 9 PHE N 1 9 PHE CA 1 9 PHE CB 1 9 PHE CG -80.00 -40.00 -71.87 -78.10 -65.64 . . 0 "[ . 1 . 2 . 3 . ]"
108 . 1 11 ASP N 1 11 ASP CA 1 11 ASP CB 1 11 ASP CG -80.00 -40.00 -67.78 -76.32 -60.28 . . 0 "[ . 1 . 2 . 3 . ]"
109 . 1 12 ASP N 1 12 ASP CA 1 12 ASP CB 1 12 ASP CG -80.00 -40.00 -66.68 -71.09 -71.91 . . 0 "[ . 1 . 2 . 3 . ]"
110 . 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG -80.00 -40.00 -69.39 -66.83 -67.43 . . 0 "[ . 1 . 2 . 3 . ]"
111 . 1 15 ASN N 1 15 ASN CA 1 15 ASN CB 1 15 ASN CG -80.00 -40.00 -66.95 -79.40 -58.21 . . 0 "[ . 1 . 2 . 3 . ]"
112 . 1 17 LEU N 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 160.00 -160.00 179.80 -176.52 -177.14 . . 0 "[ . 1 . 2 . 3 . ]"
113 . 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG -80.00 -40.00 -64.69 -73.32 -53.15 . . 0 "[ . 1 . 2 . 3 . ]"
114 . 1 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG -80.00 -40.00 -65.73 -68.24 -69.28 . . 0 "[ . 1 . 2 . 3 . ]"
115 . 1 21 PHE N 1 21 PHE CA 1 21 PHE CB 1 21 PHE CG -80.00 -40.00 -76.92 -79.24 -79.78 1.70 34 0 "[ . 1 . 2 . 3 . ]"
116 . 1 49 LEU N 1 49 LEU CA 1 49 LEU CB 1 49 LEU CG -80.00 -40.00 -64.79 -80.99 -43.77 0.99 7 0 "[ . 1 . 2 . 3 . ]"
117 . 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 160.00 -160.00 -170.10 -170.09 -170.79 . . 0 "[ . 1 . 2 . 3 . ]"
118 . 1 55 ASP N 1 55 ASP CA 1 55 ASP CB 1 55 ASP CG -80.00 -40.00 -66.77 -80.37 -57.26 0.37 28 0 "[ . 1 . 2 . 3 . ]"
119 . 1 57 HIS N 1 57 HIS CA 1 57 HIS CB 1 57 HIS CG -80.00 -40.00 -58.75 -68.90 -48.29 . . 0 "[ . 1 . 2 . 3 . ]"
120 . 1 58 ARG N 1 58 ARG CA 1 58 ARG CB 1 58 ARG CG 40.00 80.00 63.22 53.05 70.68 . . 0 "[ . 1 . 2 . 3 . ]"
121 . 1 60 MET N 1 60 MET CA 1 60 MET CB 1 60 MET CG 40.00 80.00 78.15 50.65 84.13 4.13 23 0 "[ . 1 . 2 . 3 . ]"
122 . 1 61 CYS N 1 61 CYS CA 1 61 CYS CB 1 61 CYS SG 40.00 80.00 74.10 78.56 77.12 2.60 22 0 "[ . 1 . 2 . 3 . ]"
123 . 1 66 SER N 1 66 SER CA 1 66 SER CB 1 66 SER OG 40.00 80.00 59.88 60.72 59.56 1.04 26 0 "[ . 1 . 2 . 3 . ]"
124 . 1 71 LEU N 1 71 LEU CA 1 71 LEU CB 1 71 LEU CG -80.00 -40.00 -67.59 -71.86 -78.53 3.67 9 0 "[ . 1 . 2 . 3 . ]"
125 . 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG -80.00 -40.00 -61.82 -83.30 -47.99 3.30 28 0 "[ . 1 . 2 . 3 . ]"
126 . 1 74 LEU N 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG -80.00 -40.00 -82.07 -84.52 -77.97 4.52 6 0 "[ . 1 . 2 . 3 . ]"
127 . 1 75 ASN N 1 75 ASN CA 1 75 ASN CB 1 75 ASN CG -80.00 -40.00 -63.19 -62.93 -63.74 . . 0 "[ . 1 . 2 . 3 . ]"
128 . 1 79 ASN N 1 79 ASN CA 1 79 ASN CB 1 79 ASN CG -80.00 -40.00 -62.25 -57.46 -57.62 . . 0 "[ . 1 . 2 . 3 . ]"
129 . 1 22 ILE N 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 -80.00 -40.00 -64.69 -70.69 -60.71 . . 0 "[ . 1 . 2 . 3 . ]"
130 . 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -80.00 -40.00 -63.60 -53.23 -54.84 1.47 26 0 "[ . 1 . 2 . 3 . ]"
131 . 1 70 ILE N 1 70 ILE CA 1 70 ILE CB 1 70 ILE CG1 -80.00 -40.00 -60.64 -57.34 -58.43 . . 0 "[ . 1 . 2 . 3 . ]"
132 . 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 40.00 80.00 61.19 49.76 74.26 . . 0 "[ . 1 . 2 . 3 . ]"
133 . 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 1 22 ILE CD1 160.00 -160.00 168.22 163.14 162.58 1.05 4 0 "[ . 1 . 2 . 3 . ]"
134 . 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG 1 74 LEU CD2 160.00 -160.00 -179.57 160.60 -158.15 1.85 36 0 "[ . 1 . 2 . 3 . ]"
135 . 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD2 160.00 -160.00 -162.06 -168.27 -157.38 2.62 18 0 "[ . 1 . 2 . 3 . ]"
136 . 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG 1 50 LEU CD1 160.00 -160.00 179.93 160.92 -164.59 . . 0 "[ . 1 . 2 . 3 . ]"
137 . 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD2 160.00 -160.00 -162.58 -164.97 -166.35 1.68 30 0 "[ . 1 . 2 . 3 . ]"
138 . 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 1 17 LEU CD2 160.00 -160.00 -170.72 168.14 -160.37 . . 0 "[ . 1 . 2 . 3 . ]"
stop_
save_
Contact the webmaster for help, if required. Tuesday, June 11, 2024 5:19:54 AM GMT (wattos1)