NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473530 |
2hx6   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2hx6
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 184
_TA_constraint_stats_list.Viol_count 913
_TA_constraint_stats_list.Viol_total 31866.94
_TA_constraint_stats_list.Viol_max 55.75
_TA_constraint_stats_list.Viol_rms 3.34
_TA_constraint_stats_list.Viol_average_all_restraints 0.77
_TA_constraint_stats_list.Viol_average_violations_only 2.33
_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 4 ASN C 1 5 THR N 1 5 THR CA 1 5 THR C -100.00 -20.00 -73.11 -101.88 -56.47 1.88 5 0 "[ . 1 .]"
2 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 GLU N -70.00 -10.00 -59.65 -68.17 -50.75 . . 0 "[ . 1 .]"
3 . 1 5 THR C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -100.00 -20.00 -72.24 -80.35 -63.99 . . 0 "[ . 1 .]"
4 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 VAL N -70.00 -10.00 -15.32 -21.16 -25.87 1.26 5 0 "[ . 1 .]"
5 . 1 6 GLU C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -100.00 -20.00 -81.34 -76.27 -77.01 . . 0 "[ . 1 .]"
6 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 PHE N -70.00 -10.00 -35.73 -35.65 -36.26 . . 0 "[ . 1 .]"
7 . 1 7 VAL C 1 8 PHE N 1 8 PHE CA 1 8 PHE C -100.00 -20.00 -68.87 -78.64 -64.56 . . 0 "[ . 1 .]"
8 . 1 8 PHE N 1 8 PHE CA 1 8 PHE C 1 9 ILE N -70.00 -10.00 -43.39 -42.11 -42.67 . . 0 "[ . 1 .]"
9 . 1 8 PHE C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -71.00 -51.00 -59.40 -64.39 -54.59 . . 0 "[ . 1 .]"
10 . 1 9 ILE C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -73.00 -53.00 -61.76 -64.09 -65.07 . . 0 "[ . 1 .]"
11 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 ARG N -50.00 -20.00 -48.63 -50.86 -42.91 0.86 3 0 "[ . 1 .]"
12 . 1 10 ARG C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -78.00 -58.00 -59.25 -60.47 -61.17 1.66 7 0 "[ . 1 .]"
13 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 ASN N -48.00 -28.00 -29.55 -27.31 -27.52 1.86 7 0 "[ . 1 .]"
14 . 1 11 ARG C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -76.00 -56.00 -77.09 -76.99 -77.08 1.72 13 0 "[ . 1 .]"
15 . 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 LYS N -51.00 -31.00 -48.84 -51.64 -38.23 0.64 14 0 "[ . 1 .]"
16 . 1 12 ASN C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -78.00 -58.00 -59.05 -57.49 -57.75 1.17 9 0 "[ . 1 .]"
17 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 LEU N -52.00 -32.00 -29.06 -30.43 -27.78 4.22 7 0 "[ . 1 .]"
18 . 1 13 LYS C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -77.00 -57.00 -70.20 -76.14 -66.64 . . 0 "[ . 1 .]"
19 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ARG N -52.00 -22.00 -46.42 -51.79 -37.56 . . 0 "[ . 1 .]"
20 . 1 14 LEU C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -76.00 -56.00 -56.64 -55.34 -55.76 1.38 8 0 "[ . 1 .]"
21 . 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 ARG N -48.00 -28.00 -38.09 -44.19 -27.60 0.40 7 0 "[ . 1 .]"
22 . 1 15 ARG C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -75.00 -55.00 -65.89 -64.19 -69.88 0.43 10 0 "[ . 1 .]"
23 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 HIS N -53.00 -23.00 -45.48 -53.25 -37.04 0.25 5 0 "[ . 1 .]"
24 . 1 16 ARG C 1 17 HIS N 1 17 HIS CA 1 17 HIS C -87.00 -57.00 -60.41 -57.03 -57.92 0.65 2 0 "[ . 1 .]"
25 . 1 17 HIS N 1 17 HIS CA 1 17 HIS C 1 18 PHE N -50.00 -10.00 -45.55 -50.37 -28.67 0.37 5 0 "[ . 1 .]"
26 . 1 17 HIS C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -73.00 -53.00 -61.85 -57.43 -58.55 . . 0 "[ . 1 .]"
27 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 GLU N -53.00 -23.00 -53.28 -55.64 -46.71 2.64 13 0 "[ . 1 .]"
28 . 1 18 PHE C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -74.00 -54.00 -73.60 -74.33 -74.56 1.82 14 0 "[ . 1 .]"
29 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 SER N -57.00 -27.00 -40.73 -46.64 -32.98 . . 0 "[ . 1 .]"
30 . 1 29 ILE C 1 20 SER N 1 20 SER CA 1 20 SER C -73.00 -53.00 -44.00 -44.66 -46.92 15.67 4 12 "[ **+** -***** *]"
31 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 GLU N -50.00 -30.00 -40.94 -38.58 -40.52 . . 0 "[ . 1 .]"
32 . 1 20 SER C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -77.00 -57.00 -76.44 -77.86 -73.42 0.86 7 0 "[ . 1 .]"
33 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 PHE N -50.00 -30.00 -29.15 -29.96 -28.41 1.59 4 0 "[ . 1 .]"
34 . 1 21 GLU C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -75.00 -55.00 -62.40 -62.30 -65.18 . . 0 "[ . 1 .]"
35 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ARG N -46.00 -26.00 -32.92 -42.27 -25.96 0.04 13 0 "[ . 1 .]"
36 . 1 22 PHE C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -77.00 -57.00 -66.51 -71.22 -59.56 . . 0 "[ . 1 .]"
37 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 GLN N -47.00 -27.00 -39.49 -46.97 -33.35 . . 0 "[ . 1 .]"
38 . 1 23 ARG C 1 24 GLN N 1 24 GLN CA 1 24 GLN C -74.00 -54.00 -59.44 -59.46 -60.16 . . 0 "[ . 1 .]"
39 . 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 ILE N -50.00 -30.00 -45.61 -40.25 -43.02 0.41 10 0 "[ . 1 .]"
40 . 1 24 GLN C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -72.00 -52.00 -70.07 -69.24 -69.77 0.42 5 0 "[ . 1 .]"
41 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 ASN N -45.00 -25.00 -44.84 -46.42 -42.12 1.42 15 0 "[ . 1 .]"
42 . 1 25 ILE C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -74.00 -54.00 -72.36 -75.03 -69.12 1.03 9 0 "[ . 1 .]"
43 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 ASN N -45.00 -25.00 -23.98 -24.22 -26.49 2.38 5 0 "[ . 1 .]"
44 . 1 26 ASN C 1 27 ASN N 1 27 ASN CA 1 27 ASN C -77.00 -57.00 -72.21 -75.84 -67.73 . . 0 "[ . 1 .]"
45 . 1 27 ASN N 1 27 ASN CA 1 27 ASN C 1 28 GLU N -47.00 -27.00 -39.26 -47.21 -29.99 0.21 7 0 "[ . 1 .]"
46 . 1 27 ASN C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -77.00 -57.00 -67.63 -64.19 -64.86 . . 0 "[ . 1 .]"
47 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 ILE N -51.00 -31.00 -36.13 -32.73 -34.40 1.68 2 0 "[ . 1 .]"
48 . 1 28 GLU C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -73.00 -53.00 -65.12 -73.06 -61.55 0.06 9 0 "[ . 1 .]"
49 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 ARG N -50.00 -30.00 -44.75 -50.50 -37.15 0.50 2 0 "[ . 1 .]"
50 . 1 29 ILE C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -76.00 -56.00 -64.37 -74.40 -55.38 0.62 14 0 "[ . 1 .]"
51 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 GLU N -49.00 -29.00 -38.19 -39.96 -45.00 0.52 13 0 "[ . 1 .]"
52 . 1 30 ARG C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -75.00 -55.00 -76.70 -77.21 -77.33 2.38 9 0 "[ . 1 .]"
53 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ALA N -55.00 -25.00 -41.15 -48.66 -35.91 . . 0 "[ . 1 .]"
54 . 1 31 GLU C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -84.00 -64.00 -75.97 -75.80 -77.27 0.56 7 0 "[ . 1 .]"
55 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 SER N -50.00 -10.00 -37.50 -32.09 -33.74 . . 0 "[ . 1 .]"
56 . 1 32 ALA C 1 33 SER N 1 33 SER CA 1 33 SER C -79.00 -59.00 -72.43 -79.11 -66.79 0.11 13 0 "[ . 1 .]"
57 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 LYS N -48.00 -28.00 -33.78 -34.18 -34.82 0.02 3 0 "[ . 1 .]"
58 . 1 33 SER C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -78.00 -58.00 -70.21 -77.92 -60.43 . . 0 "[ . 1 .]"
59 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 ALA N -56.00 -16.00 -42.54 -52.10 -35.72 . . 0 "[ . 1 .]"
60 . 1 34 LYS C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -74.00 -54.00 -71.12 -69.31 -72.25 0.75 5 0 "[ . 1 .]"
61 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ALA N -42.00 -12.00 -31.58 -36.76 -26.16 . . 0 "[ . 1 .]"
62 . 1 36 ALA C 1 37 GLY N 1 37 GLY CA 1 37 GLY C 77.00 97.00 92.89 85.66 97.56 0.56 5 0 "[ . 1 .]"
63 . 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 VAL N -23.00 17.00 17.69 17.75 17.70 1.38 5 0 "[ . 1 .]"
64 . 1 37 GLY C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -154.00 -94.00 -109.11 -104.10 -107.84 . . 0 "[ . 1 .]"
65 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 SER N 148.00 178.00 168.86 162.76 151.76 2.54 8 0 "[ . 1 .]"
66 . 1 40 SER C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -154.00 -114.00 -119.46 -151.12 -111.15 2.85 11 0 "[ . 1 .]"
67 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 HIS N 141.00 161.00 150.35 152.73 144.53 0.90 3 0 "[ . 1 .]"
68 . 1 41 PHE C 1 42 HIS N 1 42 HIS CA 1 42 HIS C -142.00 -102.00 -108.13 -124.79 -100.70 1.30 1 0 "[ . 1 .]"
69 . 1 42 HIS N 1 42 HIS CA 1 42 HIS C 1 43 LEU N 106.00 166.00 143.93 104.61 167.64 1.64 10 0 "[ . 1 .]"
70 . 1 42 HIS C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -125.00 -95.00 -115.20 -126.84 -94.55 1.84 3 0 "[ . 1 .]"
71 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 LYS N 121.00 161.00 139.42 128.75 128.29 0.70 14 0 "[ . 1 .]"
72 . 1 43 LEU C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -138.00 -108.00 -133.18 -135.75 -137.49 2.41 3 0 "[ . 1 .]"
73 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 TYR N 142.00 172.00 152.20 145.23 143.97 0.66 7 0 "[ . 1 .]"
74 . 1 44 LYS C 1 45 TYR N 1 45 TYR CA 1 45 TYR C -153.00 -93.00 -115.73 -116.34 -125.20 0.35 5 0 "[ . 1 .]"
75 . 1 45 TYR N 1 45 TYR CA 1 45 TYR C 1 46 SER N 132.00 172.00 154.74 159.30 155.02 0.55 12 0 "[ . 1 .]"
76 . 1 46 SER C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -79.00 -49.00 -66.56 -80.82 -47.45 1.82 9 0 "[ . 1 .]"
77 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 ALA N -42.00 -12.00 -10.00 -11.03 -8.28 3.72 13 0 "[ . 1 .]"
78 . 1 47 GLN C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -82.00 -52.00 -69.01 -74.74 -77.70 0.18 8 0 "[ . 1 .]"
79 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 LEU N -48.00 -8.00 -43.08 -48.60 -37.12 0.60 2 0 "[ . 1 .]"
80 . 1 48 ALA C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -84.00 -54.00 -63.62 -69.60 -53.78 0.22 3 0 "[ . 1 .]"
81 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 LEU N -48.00 -8.00 -40.60 -36.07 -38.96 0.61 3 0 "[ . 1 .]"
82 . 1 49 LEU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -74.00 -54.00 -70.86 -76.62 -62.90 2.62 4 0 "[ . 1 .]"
83 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ASP N -49.00 -29.00 -36.83 -45.98 -28.09 0.91 12 0 "[ . 1 .]"
84 . 1 50 LEU C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -75.00 -55.00 -59.29 -60.43 -62.34 0.42 10 0 "[ . 1 .]"
85 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 ARG N -51.00 -31.00 -32.49 -30.64 -31.95 1.53 13 0 "[ . 1 .]"
86 . 1 51 ASP C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -86.00 -56.00 -72.49 -84.29 -62.63 . . 0 "[ . 1 .]"
87 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 ALA N -57.00 -7.00 -43.93 -42.29 -45.14 1.01 6 0 "[ . 1 .]"
88 . 1 52 ARG C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -79.00 -59.00 -67.72 -66.85 -68.48 2.00 11 0 "[ . 1 .]"
89 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 ILE N -49.00 -29.00 -33.47 -50.18 -27.26 1.74 1 0 "[ . 1 .]"
90 . 1 53 ALA C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -75.00 -45.00 -66.37 -70.30 -72.89 0.58 13 0 "[ . 1 .]"
91 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 GLN N -50.00 -20.00 -41.43 -39.65 -41.81 . . 0 "[ . 1 .]"
92 . 1 54 ILE C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -107.00 -67.00 -103.32 -108.63 -84.18 1.63 15 0 "[ . 1 .]"
93 . 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 ARG N -30.00 20.00 -23.94 -24.91 -26.00 1.67 3 0 "[ . 1 .]"
94 . 1 60 GLU C 1 61 THR N 1 61 THR CA 1 61 THR C -77.00 -57.00 -79.44 -79.70 -80.64 5.06 1 1 "[+ . 1 .]"
95 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 TYR N -42.00 -12.00 -16.35 -21.66 -26.59 1.99 10 0 "[ . 1 .]"
96 . 1 61 THR C 1 62 TYR N 1 62 TYR CA 1 62 TYR C -115.00 -55.00 -66.37 -71.44 -59.94 . . 0 "[ . 1 .]"
97 . 1 62 TYR N 1 62 TYR CA 1 62 TYR C 1 63 VAL N -33.00 27.00 -33.72 -35.53 -30.24 2.53 4 0 "[ . 1 .]"
98 . 1 62 TYR C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -100.00 -20.00 -62.46 -73.42 -43.18 . . 0 "[ . 1 .]"
99 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 PHE N -70.00 -10.00 -45.62 -49.76 -57.44 . . 0 "[ . 1 .]"
100 . 1 63 VAL C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -76.00 -56.00 -63.54 -71.23 -58.88 . . 0 "[ . 1 .]"
101 . 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 GLU N -45.00 -5.00 -41.14 -46.66 -29.82 1.66 2 0 "[ . 1 .]"
102 . 1 64 PHE C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -83.00 -53.00 -66.74 -63.39 -63.89 0.01 5 0 "[ . 1 .]"
103 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 LEU N -45.00 -15.00 -42.34 -43.44 -44.62 1.21 11 0 "[ . 1 .]"
104 . 1 65 GLU C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -75.00 -55.00 -66.47 -76.35 -59.47 1.35 3 0 "[ . 1 .]"
105 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 PHE N -50.00 -10.00 -46.34 -52.40 -38.44 2.40 4 0 "[ . 1 .]"
106 . 1 66 LEU C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -77.00 -57.00 -76.87 -77.49 -77.67 1.50 13 0 "[ . 1 .]"
107 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 HIS N -48.00 -18.00 -17.45 -29.15 -14.71 3.29 9 0 "[ . 1 .]"
108 . 1 67 PHE C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -90.00 -60.00 -77.03 -67.91 -72.65 . . 0 "[ . 1 .]"
109 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 LYS N -42.00 -2.00 -25.75 -38.11 -15.83 . . 0 "[ . 1 .]"
110 . 1 68 HIS C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -98.00 -58.00 -77.35 -84.36 -93.74 . . 0 "[ . 1 .]"
111 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ILE N -40.00 0.00 -28.67 -18.98 -25.49 0.93 12 0 "[ . 1 .]"
112 . 1 69 LYS C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -100.00 -20.00 -71.75 -72.10 -74.68 . . 0 "[ . 1 .]"
113 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 LYS N -70.00 -10.00 -28.98 -70.26 -7.55 2.45 4 0 "[ . 1 .]"
114 . 1 70 ILE C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -83.00 -53.00 -55.06 -75.21 -47.69 5.31 4 1 "[ +. 1 .]"
115 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ASP N -35.00 -5.00 -14.71 -26.94 -33.84 5.21 14 1 "[ . 1 +.]"
116 . 1 73 HIS C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -100.00 -20.00 -41.91 -42.05 -43.57 . . 0 "[ . 1 .]"
117 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 LEU N -70.00 -10.00 -38.36 -55.14 -20.73 . . 0 "[ . 1 .]"
118 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -89.00 -59.00 -65.76 -58.88 -60.64 2.07 3 0 "[ . 1 .]"
119 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 GLU N -47.00 3.00 -34.21 -39.69 -23.88 . . 0 "[ . 1 .]"
120 . 1 75 LEU C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -75.00 -55.00 -75.51 -76.85 -71.08 1.85 4 0 "[ . 1 .]"
121 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 VAL N -53.00 -33.00 -39.15 -38.24 -38.82 0.89 3 0 "[ . 1 .]"
122 . 1 76 GLU C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -72.00 -52.00 -69.45 -70.81 -71.34 0.33 6 0 "[ . 1 .]"
123 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 ASN N -50.00 -30.00 -30.05 -36.96 -26.77 3.23 8 0 "[ . 1 .]"
124 . 1 77 VAL C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -74.00 -54.00 -70.31 -75.11 -63.53 1.11 14 0 "[ . 1 .]"
125 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 GLU N -51.00 -31.00 -37.10 -39.49 -43.89 1.44 3 0 "[ . 1 .]"
126 . 1 78 ASN C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -76.00 -56.00 -66.09 -71.50 -59.26 . . 0 "[ . 1 .]"
127 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 PHE N -51.00 -31.00 -30.77 -35.77 -29.20 1.80 15 0 "[ . 1 .]"
128 . 1 79 GLU C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -75.00 -55.00 -67.46 -75.11 -60.31 0.11 2 0 "[ . 1 .]"
129 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 LEU N -47.00 -7.00 -33.73 -32.08 -36.17 2.61 9 0 "[ . 1 .]"
130 . 1 80 PHE C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -75.00 -45.00 -67.70 -67.32 -69.27 4.96 10 0 "[ . 1 .]"
131 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 SER N -44.00 -14.00 -31.02 -46.73 -10.85 3.15 3 0 "[ . 1 .]"
132 . 1 81 LEU C 1 82 SER N 1 82 SER CA 1 82 SER C -107.00 -67.00 -78.53 -112.60 -64.90 5.60 10 2 "[ . -+ .]"
133 . 1 82 SER N 1 82 SER CA 1 82 SER C 1 83 MET N -38.00 2.00 -6.02 -49.15 4.19 11.15 10 2 "[ . -+ .]"
134 . 1 82 SER C 1 83 MET N 1 83 MET CA 1 83 MET C -124.00 -64.00 -96.76 -130.13 -68.33 6.13 10 2 "[ . -+ .]"
135 . 1 83 MET N 1 83 MET CA 1 83 MET C 1 84 PRO N 106.00 166.00 156.96 99.20 169.52 6.80 13 1 "[ . 1 + .]"
136 . 1 84 PRO N 1 84 PRO CA 1 84 PRO C 1 85 PRO N 120.00 180.00 164.62 119.50 -175.64 4.36 14 0 "[ . 1 .]"
137 . 1 85 PRO N 1 85 PRO CA 1 85 PRO C 1 86 ARG N 138.00 158.00 143.43 143.62 142.20 3.74 7 0 "[ . 1 .]"
138 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 ASP N 140.00 160.00 158.96 160.28 141.46 5.76 8 1 "[ . + 1 .]"
139 . 1 93 PHE C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -119.00 -79.00 -91.17 -80.74 -84.56 1.49 15 0 "[ . 1 .]"
140 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 ASP N 88.00 138.00 113.68 87.01 86.95 1.06 13 0 "[ . 1 .]"
141 . 1 96 GLY C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -113.00 -73.00 -99.95 -82.13 -91.85 4.91 4 0 "[ . 1 .]"
142 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 GLU N 92.00 142.00 111.51 90.57 142.30 1.43 2 0 "[ . 1 .]"
143 . 1 99 TYR C 1 100 ARG N 1 100 ARG CA 1 100 ARG C -112.00 -62.00 -106.90 -99.50 -111.08 1.05 9 0 "[ . 1 .]"
144 . 1 100 ARG N 1 100 ARG CA 1 100 ARG C 1 101 PRO N 108.00 168.00 155.89 162.58 159.32 0.57 12 0 "[ . 1 .]"
145 . 1 102 GLY C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -140.00 -100.00 -131.47 -132.95 -137.01 1.31 6 0 "[ . 1 .]"
146 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 LEU N 141.00 171.00 148.65 138.53 160.04 2.47 2 0 "[ . 1 .]"
147 . 1 103 ARG C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -140.00 -100.00 -120.37 -140.16 -105.50 0.16 12 0 "[ . 1 .]"
148 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 GLU N 110.00 150.00 137.20 135.79 131.68 1.77 10 0 "[ . 1 .]"
149 . 1 104 LEU C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -128.00 -98.00 -129.15 -130.24 -125.92 2.24 9 0 "[ . 1 .]"
150 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 ILE N 111.00 151.00 119.42 130.25 120.64 1.60 14 0 "[ . 1 .]"
151 . 1 105 GLU C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -134.00 -104.00 -132.66 -136.63 -122.33 2.63 4 0 "[ . 1 .]"
152 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 THR N 118.00 138.00 136.80 137.11 133.37 3.01 4 0 "[ . 1 .]"
153 . 1 106 ILE C 1 107 THR N 1 107 THR CA 1 107 THR C -136.00 -96.00 -125.95 -137.60 -139.50 3.73 7 0 "[ . 1 .]"
154 . 1 107 THR N 1 107 THR CA 1 107 THR C 1 108 ASP N 109.00 149.00 122.50 106.97 150.84 2.03 12 0 "[ . 1 .]"
155 . 1 110 ASN C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -120.00 -80.00 -88.49 -120.56 -78.22 1.78 14 0 "[ . 1 .]"
156 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 TRP N 109.00 129.00 134.82 129.36 138.20 9.20 12 9 "[ *-****1*+ *.]"
157 . 1 111 LEU C 1 112 TRP N 1 112 TRP CA 1 112 TRP C -112.00 -92.00 -98.42 -111.40 -111.78 2.26 6 0 "[ . 1 .]"
158 . 1 112 TRP N 1 112 TRP CA 1 112 TRP C 1 113 LEU N 102.00 142.00 100.66 98.48 103.34 3.52 12 0 "[ . 1 .]"
159 . 1 112 TRP C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -136.00 -96.00 -102.94 -119.25 -94.23 1.77 6 0 "[ . 1 .]"
160 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 GLY N 120.00 180.00 127.90 121.11 119.85 0.57 12 0 "[ . 1 .]"
161 . 1 113 LEU C 1 114 GLY N 1 114 GLY CA 1 114 GLY C -145.00 -105.00 -119.46 -135.27 -105.92 . . 0 "[ . 1 .]"
162 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 PHE N 120.00 160.00 133.97 122.65 154.70 . . 0 "[ . 1 .]"
163 . 1 114 GLY C 1 115 PHE N 1 115 PHE CA 1 115 PHE C -131.00 -101.00 -126.16 -131.95 -132.44 1.44 1 0 "[ . 1 .]"
164 . 1 115 PHE N 1 115 PHE CA 1 115 PHE C 1 116 THR N 128.00 168.00 141.68 151.33 147.00 0.70 4 0 "[ . 1 .]"
165 . 1 115 PHE C 1 116 THR N 1 116 THR CA 1 116 THR C -180.00 -60.00 -129.14 -151.02 -109.97 . . 0 "[ . 1 .]"
166 . 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 VAL N 20.00 180.00 131.83 140.79 137.80 . . 0 "[ . 1 .]"
167 . 1 127 PRO C 1 128 SER N 1 128 SER CA 1 128 SER C -142.00 -102.00 -124.35 -146.29 -147.56 5.71 1 2 "[+ .- 1 .]"
168 . 1 128 SER N 1 128 SER CA 1 128 SER C 1 129 LEU N 134.00 164.00 152.24 136.07 164.52 0.52 5 0 "[ . 1 .]"
169 . 1 128 SER C 1 129 LEU N 1 129 LEU CA 1 129 LEU C -154.00 -104.00 -103.78 -112.25 -116.30 3.88 14 0 "[ . 1 .]"
170 . 1 129 LEU N 1 129 LEU CA 1 129 LEU C 1 120 PRO N 131.00 161.00 90.15 75.25 101.76 55.75 10 15 [********-+*****]
171 . 1 131 CYS C 1 132 ARG N 1 132 ARG CA 1 132 ARG C -114.00 -84.00 -113.02 -115.36 -115.59 3.39 5 0 "[ . 1 .]"
172 . 1 132 ARG N 1 132 ARG CA 1 132 ARG C 1 133 MET N 110.00 140.00 117.79 122.04 113.86 1.02 1 0 "[ . 1 .]"
173 . 1 132 ARG C 1 133 MET N 1 133 MET CA 1 133 MET C -124.00 -94.00 -100.19 -109.29 -92.69 1.31 1 0 "[ . 1 .]"
174 . 1 133 MET N 1 133 MET CA 1 133 MET C 1 134 ALA N 109.00 149.00 120.98 118.67 108.91 0.84 10 0 "[ . 1 .]"
175 . 1 133 MET C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -127.00 -97.00 -126.64 -129.16 -116.90 2.16 6 0 "[ . 1 .]"
176 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 ILE N 117.00 147.00 114.88 114.44 113.98 4.16 7 0 "[ . 1 .]"
177 . 1 134 ALA C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -144.00 -104.00 -139.30 -140.08 -141.58 1.16 1 0 "[ . 1 .]"
178 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 ILE N 120.00 160.00 139.61 134.17 133.11 . . 0 "[ . 1 .]"
179 . 1 149 VAL C 1 150 ILE N 1 150 ILE CA 1 150 ILE C -129.00 -89.00 -119.15 -130.36 -130.82 2.92 1 0 "[ . 1 .]"
180 . 1 150 ILE N 1 150 ILE CA 1 150 ILE C 1 151 LYS N 102.00 142.00 140.60 158.67 151.01 16.67 2 5 "[ + . -1 ***.]"
181 . 1 150 ILE C 1 151 LYS N 1 151 LYS CA 1 151 LYS C -120.00 -80.00 -95.83 -127.92 -71.13 8.87 1 4 "[+** . 1 - .]"
182 . 1 151 LYS N 1 151 LYS CA 1 151 LYS C 1 152 THR N 116.00 146.00 142.35 101.51 160.79 14.79 1 5 "[+ * * 1 -* .]"
183 . 1 151 LYS C 1 152 THR N 1 152 THR CA 1 152 THR C -111.00 -81.00 -83.46 -121.80 -70.65 10.80 7 7 "[* *-**+ 1 * .]"
184 . 1 152 THR N 1 152 THR CA 1 152 THR C 1 153 GLN N 102.00 142.00 111.38 93.03 146.05 8.97 2 3 "[ + . 1 * -]"
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