NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483244 |
1wje   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1wje
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 232
_TA_constraint_stats_list.Viol_count 6
_TA_constraint_stats_list.Viol_total 11.35
_TA_constraint_stats_list.Viol_max 2.80
_TA_constraint_stats_list.Viol_rms 0.33
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 1.89
_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 1 PHE N 1 1 PHE CA 1 1 PHE C 1 2 LEU N 60.00 140.00 93.81 93.81 93.81 . . 0 "[ ]"
2 . 1 1 PHE C 1 2 LEU N 1 2 LEU CA 1 2 LEU C -130.00 -70.00 -104.35 -104.35 -104.35 . . 0 "[ ]"
3 . 1 2 LEU N 1 2 LEU CA 1 2 LEU C 1 3 ASP N 105.00 155.00 145.44 145.44 145.44 . . 0 "[ ]"
4 . 1 2 LEU C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -80.00 -40.00 -59.96 -59.96 -59.96 . . 0 "[ ]"
5 . 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 GLY N -70.00 -10.00 -39.20 -39.20 -39.20 . . 0 "[ ]"
6 . 1 3 ASP C 1 4 GLY N 1 4 GLY CA 1 4 GLY C -80.00 -40.00 -46.32 -46.32 -46.32 . . 0 "[ ]"
7 . 1 4 GLY N 1 4 GLY CA 1 4 GLY C 1 5 ILE N -70.00 -10.00 -15.63 -15.63 -15.63 . . 0 "[ ]"
8 . 1 4 GLY C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -80.00 -40.00 -60.07 -60.07 -60.07 . . 0 "[ ]"
9 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 ASP N -70.00 -10.00 -39.99 -39.99 -39.99 . . 0 "[ ]"
10 . 1 5 ILE C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -80.00 -40.00 -59.28 -59.28 -59.28 . . 0 "[ ]"
11 . 1 6 ASP C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -80.00 -40.00 -62.75 -62.75 -62.75 . . 0 "[ ]"
12 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 ALA N -70.00 -10.00 -40.03 -40.03 -40.03 . . 0 "[ ]"
13 . 1 7 LYS C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -80.00 -40.00 -61.53 -61.53 -61.53 . . 0 "[ ]"
14 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 GLN N -70.00 -10.00 -35.53 -35.53 -35.53 . . 0 "[ ]"
15 . 1 8 ALA C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -80.00 -40.00 -59.96 -59.96 -59.96 . . 0 "[ ]"
16 . 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 GLU N -70.00 -10.00 -39.98 -39.98 -39.98 . . 0 "[ ]"
17 . 1 9 GLN C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -80.00 -40.00 -61.44 -61.44 -61.44 . . 0 "[ ]"
18 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 GLU N -70.00 10.00 -39.99 -39.99 -39.99 . . 0 "[ ]"
19 . 1 10 GLU C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -115.00 -45.00 -95.87 -95.87 -95.87 . . 0 "[ ]"
20 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 CYS N -50.00 80.00 6.62 6.62 6.62 . . 0 "[ ]"
21 . 1 11 GLU C 1 12 CYS N 1 12 CYS CA 1 12 CYS C -70.00 -30.00 -51.05 -51.05 -51.05 . . 0 "[ ]"
22 . 1 12 CYS N 1 12 CYS CA 1 12 CYS C 1 13 GLU N -70.00 -10.00 -41.85 -41.85 -41.85 . . 0 "[ ]"
23 . 1 12 CYS C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -80.00 -40.00 -60.03 -60.03 -60.03 . . 0 "[ ]"
24 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LYS N -70.00 -10.00 -35.98 -35.98 -35.98 . . 0 "[ ]"
25 . 1 13 GLU C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -80.00 -40.00 -64.93 -64.93 -64.93 . . 0 "[ ]"
26 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 TYR N -70.00 -10.00 -39.53 -39.53 -39.53 . . 0 "[ ]"
27 . 1 14 LYS C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -110.00 -50.00 -85.48 -85.48 -85.48 . . 0 "[ ]"
28 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 HIS N -70.00 -10.00 -12.11 -12.11 -12.11 . . 0 "[ ]"
29 . 1 15 TYR C 1 16 HIS N 1 16 HIS CA 1 16 HIS C 60.00 120.00 57.74 57.74 57.74 2.26 1 0 "[ ]"
30 . 1 16 HIS N 1 16 HIS CA 1 16 HIS C 1 17 SER N -170.00 -90.00 -134.69 -134.69 -134.69 . . 0 "[ ]"
31 . 1 16 HIS C 1 17 SER N 1 17 SER CA 1 17 SER C -100.00 -40.00 -84.68 -84.68 -84.68 . . 0 "[ ]"
32 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 ASN N -80.00 20.00 -3.88 -3.88 -3.88 . . 0 "[ ]"
33 . 1 17 SER C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -115.00 -35.00 -80.28 -80.28 -80.28 . . 0 "[ ]"
34 . 1 18 ASN C 1 19 TRP N 1 19 TRP CA 1 19 TRP C -90.00 -30.00 -69.98 -69.98 -69.98 . . 0 "[ ]"
35 . 1 19 TRP C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -80.00 -40.00 -60.05 -60.05 -60.05 . . 0 "[ ]"
36 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 ALA N -70.00 -10.00 -40.97 -40.97 -40.97 . . 0 "[ ]"
37 . 1 20 ARG C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -80.00 -40.00 -66.03 -66.03 -66.03 . . 0 "[ ]"
38 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 MET N -70.00 -10.00 -41.97 -41.97 -41.97 . . 0 "[ ]"
39 . 1 21 ALA C 1 22 MET N 1 22 MET CA 1 22 MET C -80.00 -40.00 -62.25 -62.25 -62.25 . . 0 "[ ]"
40 . 1 22 MET N 1 22 MET CA 1 22 MET C 1 23 ALA N -70.00 -10.00 -44.64 -44.64 -44.64 . . 0 "[ ]"
41 . 1 22 MET C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -80.00 -40.00 -57.52 -57.52 -57.52 . . 0 "[ ]"
42 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 SER N -70.00 -10.00 -39.83 -39.83 -39.83 . . 0 "[ ]"
43 . 1 23 ALA C 1 24 SER N 1 24 SER CA 1 24 SER C -80.00 -40.00 -66.20 -66.20 -66.20 . . 0 "[ ]"
44 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 ASP N -70.00 -10.00 -38.02 -38.02 -38.02 . . 0 "[ ]"
45 . 1 24 SER C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -80.00 -40.00 -70.01 -70.01 -70.01 . . 0 "[ ]"
46 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 PHE N -70.00 -10.00 -41.90 -41.90 -41.90 . . 0 "[ ]"
47 . 1 25 ASP C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -125.00 -65.00 -95.45 -95.45 -95.45 . . 0 "[ ]"
48 . 1 26 PHE C 1 27 ASN N 1 27 ASN CA 1 27 ASN C 20.00 80.00 53.17 53.17 53.17 . . 0 "[ ]"
49 . 1 27 ASN N 1 27 ASN CA 1 27 ASN C 1 28 LEU N 0.00 80.00 47.21 47.21 47.21 . . 0 "[ ]"
50 . 1 27 ASN C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -135.00 -85.00 -113.46 -113.46 -113.46 . . 0 "[ ]"
51 . 1 28 LEU C 1 29 PRO N 1 29 PRO CA 1 29 PRO C -100.00 -20.00 -70.34 -70.34 -70.34 . . 0 "[ ]"
52 . 1 29 PRO C 1 30 PRO N 1 30 PRO CA 1 30 PRO C -90.00 -10.00 -43.36 -43.36 -43.36 . . 0 "[ ]"
53 . 1 30 PRO C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -80.00 -40.00 -60.05 -60.05 -60.05 . . 0 "[ ]"
54 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 VAL N -80.00 -20.00 -50.66 -50.66 -50.66 . . 0 "[ ]"
55 . 1 31 VAL C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -80.00 -40.00 -75.49 -75.49 -75.49 . . 0 "[ ]"
56 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 ALA N -70.00 -10.00 -40.38 -40.38 -40.38 . . 0 "[ ]"
57 . 1 32 VAL C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -80.00 -40.00 -60.04 -60.04 -60.04 . . 0 "[ ]"
58 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 LYS N -70.00 -10.00 -50.32 -50.32 -50.32 . . 0 "[ ]"
59 . 1 33 ALA C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -80.00 -40.00 -61.66 -61.66 -61.66 . . 0 "[ ]"
60 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 GLU N -70.00 -10.00 -39.60 -39.60 -39.60 . . 0 "[ ]"
61 . 1 34 LYS C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -80.00 -40.00 -60.00 -60.00 -60.00 . . 0 "[ ]"
62 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 ILE N -70.00 -10.00 -40.06 -40.06 -40.06 . . 0 "[ ]"
63 . 1 35 GLU C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -80.00 -40.00 -62.16 -62.16 -62.16 . . 0 "[ ]"
64 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 VAL N -70.00 -10.00 -42.10 -42.10 -42.10 . . 0 "[ ]"
65 . 1 36 ILE C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -80.00 -40.00 -65.13 -65.13 -65.13 . . 0 "[ ]"
66 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ALA N -70.00 -10.00 -39.95 -39.95 -39.95 . . 0 "[ ]"
67 . 1 37 VAL C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -80.00 -40.00 -62.44 -62.44 -62.44 . . 0 "[ ]"
68 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 SER N -100.00 20.00 -16.47 -16.47 -16.47 . . 0 "[ ]"
69 . 1 38 ALA C 1 39 SER N 1 39 SER CA 1 39 SER C -120.00 -60.00 -95.89 -95.89 -95.89 . . 0 "[ ]"
70 . 1 39 SER C 1 40 CYS N 1 40 CYS CA 1 40 CYS C -80.00 -20.00 -59.99 -59.99 -59.99 . . 0 "[ ]"
71 . 1 40 CYS C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -100.00 -40.00 -77.55 -77.55 -77.55 . . 0 "[ ]"
72 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 LYS N -90.00 10.00 -29.12 -29.12 -29.12 . . 0 "[ ]"
73 . 1 41 ASP C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -100.00 -40.00 -76.44 -76.44 -76.44 . . 0 "[ ]"
74 . 1 42 LYS C 1 43 CYS N 1 43 CYS CA 1 43 CYS C -100.00 -40.00 -80.05 -80.05 -80.05 . . 0 "[ ]"
75 . 1 43 CYS N 1 43 CYS CA 1 43 CYS C 1 44 GLN N -30.00 30.00 -9.97 -9.97 -9.97 . . 0 "[ ]"
76 . 1 43 CYS C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -100.00 -40.00 -73.51 -73.51 -73.51 . . 0 "[ ]"
77 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 LEU N -120.00 -40.00 -66.47 -66.47 -66.47 . . 0 "[ ]"
78 . 1 44 GLN C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -110.00 -50.00 -82.60 -82.60 -82.60 . . 0 "[ ]"
79 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 LYS N 115.00 175.00 146.30 146.30 146.30 . . 0 "[ ]"
80 . 1 45 LEU C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -120.00 -60.00 -75.81 -75.81 -75.81 . . 0 "[ ]"
81 . 2 1 PHE N 2 1 PHE CA 2 1 PHE C 2 2 LEU N 60.00 140.00 93.79 93.79 93.79 . . 0 "[ ]"
82 . 2 1 PHE C 2 2 LEU N 2 2 LEU CA 2 2 LEU C -130.00 -70.00 -104.28 -104.28 -104.28 . . 0 "[ ]"
83 . 2 2 LEU N 2 2 LEU CA 2 2 LEU C 2 3 ASP N 105.00 155.00 145.45 145.45 145.45 . . 0 "[ ]"
84 . 2 2 LEU C 2 3 ASP N 2 3 ASP CA 2 3 ASP C -80.00 -40.00 -60.00 -60.00 -60.00 . . 0 "[ ]"
85 . 2 3 ASP N 2 3 ASP CA 2 3 ASP C 2 4 GLY N -70.00 -10.00 -39.22 -39.22 -39.22 . . 0 "[ ]"
86 . 2 3 ASP C 2 4 GLY N 2 4 GLY CA 2 4 GLY C -80.00 -40.00 -46.24 -46.24 -46.24 . . 0 "[ ]"
87 . 2 4 GLY N 2 4 GLY CA 2 4 GLY C 2 5 ILE N -70.00 -10.00 -15.68 -15.68 -15.68 . . 0 "[ ]"
88 . 2 4 GLY C 2 5 ILE N 2 5 ILE CA 2 5 ILE C -80.00 -40.00 -60.00 -60.00 -60.00 . . 0 "[ ]"
89 . 2 5 ILE N 2 5 ILE CA 2 5 ILE C 2 6 ASP N -70.00 -10.00 -39.96 -39.96 -39.96 . . 0 "[ ]"
90 . 2 5 ILE C 2 6 ASP N 2 6 ASP CA 2 6 ASP C -80.00 -40.00 -59.24 -59.24 -59.24 . . 0 "[ ]"
91 . 2 6 ASP C 2 7 LYS N 2 7 LYS CA 2 7 LYS C -80.00 -40.00 -62.73 -62.73 -62.73 . . 0 "[ ]"
92 . 2 7 LYS N 2 7 LYS CA 2 7 LYS C 2 8 ALA N -70.00 -10.00 -40.02 -40.02 -40.02 . . 0 "[ ]"
93 . 2 7 LYS C 2 8 ALA N 2 8 ALA CA 2 8 ALA C -80.00 -40.00 -61.54 -61.54 -61.54 . . 0 "[ ]"
94 . 2 8 ALA N 2 8 ALA CA 2 8 ALA C 2 9 GLN N -70.00 -10.00 -35.43 -35.43 -35.43 . . 0 "[ ]"
95 . 2 8 ALA C 2 9 GLN N 2 9 GLN CA 2 9 GLN C -80.00 -40.00 -60.09 -60.09 -60.09 . . 0 "[ ]"
96 . 2 9 GLN N 2 9 GLN CA 2 9 GLN C 2 10 GLU N -70.00 -10.00 -39.97 -39.97 -39.97 . . 0 "[ ]"
97 . 2 9 GLN C 2 10 GLU N 2 10 GLU CA 2 10 GLU C -80.00 -40.00 -61.42 -61.42 -61.42 . . 0 "[ ]"
98 . 2 10 GLU N 2 10 GLU CA 2 10 GLU C 2 11 GLU N -70.00 10.00 -39.95 -39.95 -39.95 . . 0 "[ ]"
99 . 2 10 GLU C 2 11 GLU N 2 11 GLU CA 2 11 GLU C -115.00 -45.00 -95.93 -95.93 -95.93 . . 0 "[ ]"
100 . 2 11 GLU N 2 11 GLU CA 2 11 GLU C 2 12 CYS N -50.00 80.00 6.62 6.62 6.62 . . 0 "[ ]"
101 . 2 11 GLU C 2 12 CYS N 2 12 CYS CA 2 12 CYS C -70.00 -30.00 -51.07 -51.07 -51.07 . . 0 "[ ]"
102 . 2 12 CYS N 2 12 CYS CA 2 12 CYS C 2 13 GLU N -70.00 -10.00 -41.83 -41.83 -41.83 . . 0 "[ ]"
103 . 2 12 CYS C 2 13 GLU N 2 13 GLU CA 2 13 GLU C -80.00 -40.00 -60.01 -60.01 -60.01 . . 0 "[ ]"
104 . 2 13 GLU N 2 13 GLU CA 2 13 GLU C 2 14 LYS N -70.00 -10.00 -35.97 -35.97 -35.97 . . 0 "[ ]"
105 . 2 13 GLU C 2 14 LYS N 2 14 LYS CA 2 14 LYS C -80.00 -40.00 -64.96 -64.96 -64.96 . . 0 "[ ]"
106 . 2 14 LYS N 2 14 LYS CA 2 14 LYS C 2 15 TYR N -70.00 -10.00 -39.50 -39.50 -39.50 . . 0 "[ ]"
107 . 2 14 LYS C 2 15 TYR N 2 15 TYR CA 2 15 TYR C -110.00 -50.00 -85.48 -85.48 -85.48 . . 0 "[ ]"
108 . 2 15 TYR N 2 15 TYR CA 2 15 TYR C 2 16 HIS N -70.00 -10.00 -12.20 -12.20 -12.20 . . 0 "[ ]"
109 . 2 15 TYR C 2 16 HIS N 2 16 HIS CA 2 16 HIS C 60.00 120.00 57.81 57.81 57.81 2.19 1 0 "[ ]"
110 . 2 16 HIS N 2 16 HIS CA 2 16 HIS C 2 17 SER N -170.00 -90.00 -134.73 -134.73 -134.73 . . 0 "[ ]"
111 . 2 16 HIS C 2 17 SER N 2 17 SER CA 2 17 SER C -100.00 -40.00 -84.63 -84.63 -84.63 . . 0 "[ ]"
112 . 2 17 SER N 2 17 SER CA 2 17 SER C 2 18 ASN N -80.00 20.00 -3.89 -3.89 -3.89 . . 0 "[ ]"
113 . 2 17 SER C 2 18 ASN N 2 18 ASN CA 2 18 ASN C -115.00 -35.00 -80.28 -80.28 -80.28 . . 0 "[ ]"
114 . 2 18 ASN C 2 19 TRP N 2 19 TRP CA 2 19 TRP C -90.00 -30.00 -70.02 -70.02 -70.02 . . 0 "[ ]"
115 . 2 19 TRP C 2 20 ARG N 2 20 ARG CA 2 20 ARG C -80.00 -40.00 -60.00 -60.00 -60.00 . . 0 "[ ]"
116 . 2 20 ARG N 2 20 ARG CA 2 20 ARG C 2 21 ALA N -70.00 -10.00 -41.02 -41.02 -41.02 . . 0 "[ ]"
117 . 2 20 ARG C 2 21 ALA N 2 21 ALA CA 2 21 ALA C -80.00 -40.00 -65.99 -65.99 -65.99 . . 0 "[ ]"
118 . 2 21 ALA N 2 21 ALA CA 2 21 ALA C 2 22 MET N -70.00 -10.00 -42.01 -42.01 -42.01 . . 0 "[ ]"
119 . 2 21 ALA C 2 22 MET N 2 22 MET CA 2 22 MET C -80.00 -40.00 -62.28 -62.28 -62.28 . . 0 "[ ]"
120 . 2 22 MET N 2 22 MET CA 2 22 MET C 2 23 ALA N -70.00 -10.00 -44.54 -44.54 -44.54 . . 0 "[ ]"
121 . 2 22 MET C 2 23 ALA N 2 23 ALA CA 2 23 ALA C -80.00 -40.00 -57.65 -57.65 -57.65 . . 0 "[ ]"
122 . 2 23 ALA N 2 23 ALA CA 2 23 ALA C 2 24 SER N -70.00 -10.00 -39.73 -39.73 -39.73 . . 0 "[ ]"
123 . 2 23 ALA C 2 24 SER N 2 24 SER CA 2 24 SER C -80.00 -40.00 -66.22 -66.22 -66.22 . . 0 "[ ]"
124 . 2 24 SER N 2 24 SER CA 2 24 SER C 2 25 ASP N -70.00 -10.00 -38.02 -38.02 -38.02 . . 0 "[ ]"
125 . 2 24 SER C 2 25 ASP N 2 25 ASP CA 2 25 ASP C -80.00 -40.00 -69.99 -69.99 -69.99 . . 0 "[ ]"
126 . 2 25 ASP N 2 25 ASP CA 2 25 ASP C 2 26 PHE N -70.00 -10.00 -41.87 -41.87 -41.87 . . 0 "[ ]"
127 . 2 25 ASP C 2 26 PHE N 2 26 PHE CA 2 26 PHE C -125.00 -65.00 -95.49 -95.49 -95.49 . . 0 "[ ]"
128 . 2 26 PHE C 2 27 ASN N 2 27 ASN CA 2 27 ASN C 20.00 80.00 53.24 53.24 53.24 . . 0 "[ ]"
129 . 2 27 ASN N 2 27 ASN CA 2 27 ASN C 2 28 LEU N 0.00 80.00 47.14 47.14 47.14 . . 0 "[ ]"
130 . 2 27 ASN C 2 28 LEU N 2 28 LEU CA 2 28 LEU C -135.00 -85.00 -113.38 -113.38 -113.38 . . 0 "[ ]"
131 . 2 28 LEU C 2 29 PRO N 2 29 PRO CA 2 29 PRO C -100.00 -20.00 -70.33 -70.33 -70.33 . . 0 "[ ]"
132 . 2 29 PRO C 2 30 PRO N 2 30 PRO CA 2 30 PRO C -90.00 -10.00 -43.41 -43.41 -43.41 . . 0 "[ ]"
133 . 2 30 PRO C 2 31 VAL N 2 31 VAL CA 2 31 VAL C -80.00 -40.00 -60.03 -60.03 -60.03 . . 0 "[ ]"
134 . 2 31 VAL N 2 31 VAL CA 2 31 VAL C 2 32 VAL N -80.00 -20.00 -50.67 -50.67 -50.67 . . 0 "[ ]"
135 . 2 31 VAL C 2 32 VAL N 2 32 VAL CA 2 32 VAL C -80.00 -40.00 -75.50 -75.50 -75.50 . . 0 "[ ]"
136 . 2 32 VAL N 2 32 VAL CA 2 32 VAL C 2 33 ALA N -70.00 -10.00 -40.41 -40.41 -40.41 . . 0 "[ ]"
137 . 2 32 VAL C 2 33 ALA N 2 33 ALA CA 2 33 ALA C -80.00 -40.00 -59.95 -59.95 -59.95 . . 0 "[ ]"
138 . 2 33 ALA N 2 33 ALA CA 2 33 ALA C 2 34 LYS N -70.00 -10.00 -50.33 -50.33 -50.33 . . 0 "[ ]"
139 . 2 33 ALA C 2 34 LYS N 2 34 LYS CA 2 34 LYS C -80.00 -40.00 -61.72 -61.72 -61.72 . . 0 "[ ]"
140 . 2 34 LYS N 2 34 LYS CA 2 34 LYS C 2 35 GLU N -70.00 -10.00 -39.60 -39.60 -39.60 . . 0 "[ ]"
141 . 2 34 LYS C 2 35 GLU N 2 35 GLU CA 2 35 GLU C -80.00 -40.00 -60.00 -60.00 -60.00 . . 0 "[ ]"
142 . 2 35 GLU N 2 35 GLU CA 2 35 GLU C 2 36 ILE N -70.00 -10.00 -39.99 -39.99 -39.99 . . 0 "[ ]"
143 . 2 35 GLU C 2 36 ILE N 2 36 ILE CA 2 36 ILE C -80.00 -40.00 -62.23 -62.23 -62.23 . . 0 "[ ]"
144 . 2 36 ILE N 2 36 ILE CA 2 36 ILE C 2 37 VAL N -70.00 -10.00 -42.03 -42.03 -42.03 . . 0 "[ ]"
145 . 2 36 ILE C 2 37 VAL N 2 37 VAL CA 2 37 VAL C -80.00 -40.00 -65.17 -65.17 -65.17 . . 0 "[ ]"
146 . 2 37 VAL N 2 37 VAL CA 2 37 VAL C 2 38 ALA N -70.00 -10.00 -40.04 -40.04 -40.04 . . 0 "[ ]"
147 . 2 37 VAL C 2 38 ALA N 2 38 ALA CA 2 38 ALA C -80.00 -40.00 -62.17 -62.17 -62.17 . . 0 "[ ]"
148 . 2 38 ALA N 2 38 ALA CA 2 38 ALA C 2 39 SER N -100.00 20.00 -17.10 -17.10 -17.10 . . 0 "[ ]"
149 . 2 38 ALA C 2 39 SER N 2 39 SER CA 2 39 SER C -120.00 -60.00 -95.40 -95.40 -95.40 . . 0 "[ ]"
150 . 2 39 SER C 2 40 CYS N 2 40 CYS CA 2 40 CYS C -80.00 -20.00 -60.03 -60.03 -60.03 . . 0 "[ ]"
151 . 2 40 CYS C 2 41 ASP N 2 41 ASP CA 2 41 ASP C -100.00 -40.00 -77.52 -77.52 -77.52 . . 0 "[ ]"
152 . 2 41 ASP N 2 41 ASP CA 2 41 ASP C 2 42 LYS N -90.00 10.00 -29.17 -29.17 -29.17 . . 0 "[ ]"
153 . 2 41 ASP C 2 42 LYS N 2 42 LYS CA 2 42 LYS C -100.00 -40.00 -76.37 -76.37 -76.37 . . 0 "[ ]"
154 . 2 42 LYS C 2 43 CYS N 2 43 CYS CA 2 43 CYS C -100.00 -40.00 -79.97 -79.97 -79.97 . . 0 "[ ]"
155 . 2 43 CYS N 2 43 CYS CA 2 43 CYS C 2 44 GLN N -30.00 30.00 -10.03 -10.03 -10.03 . . 0 "[ ]"
156 . 2 43 CYS C 2 44 GLN N 2 44 GLN CA 2 44 GLN C -100.00 -40.00 -73.52 -73.52 -73.52 . . 0 "[ ]"
157 . 2 44 GLN N 2 44 GLN CA 2 44 GLN C 2 45 LEU N -120.00 -40.00 -66.42 -66.42 -66.42 . . 0 "[ ]"
158 . 2 44 GLN C 2 45 LEU N 2 45 LEU CA 2 45 LEU C -110.00 -50.00 -82.62 -82.62 -82.62 . . 0 "[ ]"
159 . 2 45 LEU N 2 45 LEU CA 2 45 LEU C 2 46 LYS N 115.00 175.00 146.28 146.28 146.28 . . 0 "[ ]"
160 . 2 45 LEU C 2 46 LYS N 2 46 LYS CA 2 46 LYS C -120.00 -60.00 -75.88 -75.88 -75.88 . . 0 "[ ]"
161 . 1 2 LEU N 1 2 LEU CA 1 2 LEU CB 1 2 LEU CG -80.00 -40.00 -56.15 -56.15 -56.15 . . 0 "[ ]"
162 . 1 2 LEU CA 1 2 LEU CB 1 2 LEU CG 1 2 LEU CD1 160.00 -160.00 173.48 173.48 173.48 . . 0 "[ ]"
163 . 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG -80.00 -40.00 -73.92 -73.92 -73.92 . . 0 "[ ]"
164 . 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 1 28 LEU CD1 160.00 -160.00 164.20 164.20 164.20 . . 0 "[ ]"
165 . 1 45 LEU N 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG -80.00 -40.00 -57.72 -57.72 -57.72 . . 0 "[ ]"
166 . 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG 1 45 LEU CD1 160.00 -160.00 179.66 179.66 179.66 . . 0 "[ ]"
167 . 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 160.00 -160.00 171.61 171.61 171.61 . . 0 "[ ]"
168 . 1 32 VAL N 1 32 VAL CA 1 32 VAL CB 1 32 VAL CG1 160.00 -160.00 174.63 174.63 174.63 . . 0 "[ ]"
169 . 1 37 VAL N 1 37 VAL CA 1 37 VAL CB 1 37 VAL CG1 160.00 -160.00 168.40 168.40 168.40 . . 0 "[ ]"
170 . 1 5 ILE N 1 5 ILE CA 1 5 ILE CB 1 5 ILE CG1 -80.00 -40.00 -69.99 -69.99 -69.99 . . 0 "[ ]"
171 . 1 5 ILE CA 1 5 ILE CB 1 5 ILE CG1 1 5 ILE CD1 160.00 -160.00 168.12 168.12 168.12 . . 0 "[ ]"
172 . 1 36 ILE N 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 -80.00 -40.00 -67.37 -67.37 -67.37 . . 0 "[ ]"
173 . 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 1 36 ILE CD1 160.00 -160.00 168.62 168.62 168.62 . . 0 "[ ]"
174 . 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG 150.00 -150.00 180.00 180.00 180.00 . . 0 "[ ]"
175 . 1 16 HIS N 1 16 HIS CA 1 16 HIS CB 1 16 HIS CG -90.00 -30.00 -52.68 -52.68 -52.68 . . 0 "[ ]"
176 . 1 40 CYS N 1 40 CYS CA 1 40 CYS CB 1 40 CYS SG 150.00 -150.00 -168.12 -168.12 -168.12 . . 0 "[ ]"
177 . 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG -90.00 -30.00 -62.28 -62.28 -62.28 . . 0 "[ ]"
178 . 1 1 PHE N 1 1 PHE CA 1 1 PHE CB 1 1 PHE CG -80.00 -40.00 -39.27 -39.27 -39.27 0.73 1 0 "[ ]"
179 . 1 1 PHE CA 1 1 PHE CB 1 1 PHE CG 1 1 PHE CD1 70.00 110.00 112.75 112.75 112.75 2.75 1 0 "[ ]"
180 . 1 26 PHE N 1 26 PHE CA 1 26 PHE CB 1 26 PHE CG -80.00 -40.00 -67.95 -67.95 -67.95 . . 0 "[ ]"
181 . 1 26 PHE CA 1 26 PHE CB 1 26 PHE CG 1 26 PHE CD1 70.00 110.00 87.88 87.88 87.88 . . 0 "[ ]"
182 . 1 15 TYR N 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG -80.00 -40.00 -64.50 -64.50 -64.50 . . 0 "[ ]"
183 . 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG 1 15 TYR CD1 70.00 110.00 98.13 98.13 98.13 . . 0 "[ ]"
184 . 1 19 TRP N 1 19 TRP CA 1 19 TRP CB 1 19 TRP CG 40.00 80.00 58.81 58.81 58.81 . . 0 "[ ]"
185 . 1 20 ARG N 1 20 ARG CA 1 20 ARG CB 1 20 ARG CG -80.00 -40.00 -70.04 -70.04 -70.04 . . 0 "[ ]"
186 . 1 18 ASN N 1 18 ASN CA 1 18 ASN CB 1 18 ASN CG -80.00 -40.00 -70.00 -70.00 -70.00 . . 0 "[ ]"
187 . 1 27 ASN N 1 27 ASN CA 1 27 ASN CB 1 27 ASN CG -80.00 -40.00 -60.39 -60.39 -60.39 . . 0 "[ ]"
188 . 1 22 MET N 1 22 MET CA 1 22 MET CB 1 22 MET CG 160.00 -160.00 179.99 179.99 179.99 . . 0 "[ ]"
189 . 1 34 LYS N 1 34 LYS CA 1 34 LYS CB 1 34 LYS CG -80.00 -40.00 -70.01 -70.01 -70.01 . . 0 "[ ]"
190 . 1 35 GLU N 1 35 GLU CA 1 35 GLU CB 1 35 GLU CG 160.00 -160.00 -172.09 -172.09 -172.09 . . 0 "[ ]"
191 . 1 35 GLU CA 1 35 GLU CB 1 35 GLU CG 1 35 GLU CD -80.00 -40.00 -77.59 -77.59 -77.59 . . 0 "[ ]"
192 . 1 39 SER N 1 39 SER CA 1 39 SER CB 1 39 SER OG -80.00 -40.00 -67.73 -67.73 -67.73 . . 0 "[ ]"
193 . 1 41 ASP N 1 41 ASP CA 1 41 ASP CB 1 41 ASP CG -80.00 -40.00 -70.02 -70.02 -70.02 . . 0 "[ ]"
194 . 1 42 LYS N 1 42 LYS CA 1 42 LYS CB 1 42 LYS CG -80.00 -40.00 -60.00 -60.00 -60.00 . . 0 "[ ]"
195 . 1 44 GLN N 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG 160.00 -160.00 178.26 178.26 178.26 . . 0 "[ ]"
196 . 2 2 LEU N 2 2 LEU CA 2 2 LEU CB 2 2 LEU CG -80.00 -40.00 -56.15 -56.15 -56.15 . . 0 "[ ]"
197 . 2 2 LEU CA 2 2 LEU CB 2 2 LEU CG 2 2 LEU CD1 160.00 -160.00 173.43 173.43 173.43 . . 0 "[ ]"
198 . 2 28 LEU N 2 28 LEU CA 2 28 LEU CB 2 28 LEU CG -80.00 -40.00 -73.92 -73.92 -73.92 . . 0 "[ ]"
199 . 2 28 LEU CA 2 28 LEU CB 2 28 LEU CG 2 28 LEU CD1 160.00 -160.00 164.20 164.20 164.20 . . 0 "[ ]"
200 . 2 45 LEU N 2 45 LEU CA 2 45 LEU CB 2 45 LEU CG -80.00 -40.00 -57.61 -57.61 -57.61 . . 0 "[ ]"
201 . 2 45 LEU CA 2 45 LEU CB 2 45 LEU CG 2 45 LEU CD1 160.00 -160.00 179.60 179.60 179.60 . . 0 "[ ]"
202 . 2 31 VAL N 2 31 VAL CA 2 31 VAL CB 2 31 VAL CG1 160.00 -160.00 171.64 171.64 171.64 . . 0 "[ ]"
203 . 2 32 VAL N 2 32 VAL CA 2 32 VAL CB 2 32 VAL CG1 160.00 -160.00 174.56 174.56 174.56 . . 0 "[ ]"
204 . 2 37 VAL N 2 37 VAL CA 2 37 VAL CB 2 37 VAL CG1 160.00 -160.00 168.39 168.39 168.39 . . 0 "[ ]"
205 . 2 5 ILE N 2 5 ILE CA 2 5 ILE CB 2 5 ILE CG1 -80.00 -40.00 -69.99 -69.99 -69.99 . . 0 "[ ]"
206 . 2 5 ILE CA 2 5 ILE CB 2 5 ILE CG1 2 5 ILE CD1 160.00 -160.00 168.14 168.14 168.14 . . 0 "[ ]"
207 . 2 36 ILE N 2 36 ILE CA 2 36 ILE CB 2 36 ILE CG1 -80.00 -40.00 -67.40 -67.40 -67.40 . . 0 "[ ]"
208 . 2 36 ILE CA 2 36 ILE CB 2 36 ILE CG1 2 36 ILE CD1 160.00 -160.00 168.60 168.60 168.60 . . 0 "[ ]"
209 . 2 12 CYS N 2 12 CYS CA 2 12 CYS CB 2 12 CYS SG 150.00 -150.00 -179.99 -179.99 -179.99 . . 0 "[ ]"
210 . 2 16 HIS N 2 16 HIS CA 2 16 HIS CB 2 16 HIS CG -90.00 -30.00 -52.63 -52.63 -52.63 . . 0 "[ ]"
211 . 2 40 CYS N 2 40 CYS CA 2 40 CYS CB 2 40 CYS SG 150.00 -150.00 -168.14 -168.14 -168.14 . . 0 "[ ]"
212 . 2 43 CYS N 2 43 CYS CA 2 43 CYS CB 2 43 CYS SG -90.00 -30.00 -62.30 -62.30 -62.30 . . 0 "[ ]"
213 . 2 1 PHE N 2 1 PHE CA 2 1 PHE CB 2 1 PHE CG -80.00 -40.00 -39.37 -39.37 -39.37 0.63 1 0 "[ ]"
214 . 2 1 PHE CA 2 1 PHE CB 2 1 PHE CG 2 1 PHE CD1 70.00 110.00 112.80 112.80 112.80 2.80 1 0 "[ ]"
215 . 2 26 PHE N 2 26 PHE CA 2 26 PHE CB 2 26 PHE CG -80.00 -40.00 -67.95 -67.95 -67.95 . . 0 "[ ]"
216 . 2 26 PHE CA 2 26 PHE CB 2 26 PHE CG 2 26 PHE CD1 70.00 110.00 87.83 87.83 87.83 . . 0 "[ ]"
217 . 2 15 TYR N 2 15 TYR CA 2 15 TYR CB 2 15 TYR CG -80.00 -40.00 -64.50 -64.50 -64.50 . . 0 "[ ]"
218 . 2 15 TYR CA 2 15 TYR CB 2 15 TYR CG 2 15 TYR CD1 70.00 110.00 98.11 98.11 98.11 . . 0 "[ ]"
219 . 2 19 TRP N 2 19 TRP CA 2 19 TRP CB 2 19 TRP CG 40.00 80.00 58.76 58.76 58.76 . . 0 "[ ]"
220 . 2 20 ARG N 2 20 ARG CA 2 20 ARG CB 2 20 ARG CG -80.00 -40.00 -69.95 -69.95 -69.95 . . 0 "[ ]"
221 . 2 18 ASN N 2 18 ASN CA 2 18 ASN CB 2 18 ASN CG -80.00 -40.00 -70.01 -70.01 -70.01 . . 0 "[ ]"
222 . 2 27 ASN N 2 27 ASN CA 2 27 ASN CB 2 27 ASN CG -80.00 -40.00 -60.35 -60.35 -60.35 . . 0 "[ ]"
223 . 2 22 MET N 2 22 MET CA 2 22 MET CB 2 22 MET CG 160.00 -160.00 180.00 180.00 180.00 . . 0 "[ ]"
224 . 2 34 LYS N 2 34 LYS CA 2 34 LYS CB 2 34 LYS CG -80.00 -40.00 -70.00 -70.00 -70.00 . . 0 "[ ]"
225 . 2 35 GLU N 2 35 GLU CA 2 35 GLU CB 2 35 GLU CG 160.00 -160.00 -172.11 -172.11 -172.11 . . 0 "[ ]"
226 . 2 35 GLU CA 2 35 GLU CB 2 35 GLU CG 2 35 GLU CD -80.00 -40.00 -77.50 -77.50 -77.50 . . 0 "[ ]"
227 . 2 39 SER N 2 39 SER CA 2 39 SER CB 2 39 SER OG -80.00 -40.00 -67.56 -67.56 -67.56 . . 0 "[ ]"
228 . 2 41 ASP N 2 41 ASP CA 2 41 ASP CB 2 41 ASP CG -80.00 -40.00 -70.02 -70.02 -70.02 . . 0 "[ ]"
229 . 2 42 LYS N 2 42 LYS CA 2 42 LYS CB 2 42 LYS CG -80.00 -40.00 -59.99 -59.99 -59.99 . . 0 "[ ]"
230 . 2 44 GLN N 2 44 GLN CA 2 44 GLN CB 2 44 GLN CG 160.00 -160.00 178.43 178.43 178.43 . . 0 "[ ]"
231 . 1 44 GLN CB 1 44 GLN CG 1 44 GLN CD 1 44 GLN OE1 170.00 -130.00 -138.24 -138.24 -138.24 . . 0 "[ ]"
232 . 2 44 GLN CB 2 44 GLN CG 2 44 GLN CD 2 44 GLN OE1 -10.00 50.00 42.52 42.52 42.52 . . 0 "[ ]"
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