Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533629 | 2ky4 RC | 16934 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ky4
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 158
_TA_constraint_stats_list.Viol_count 366
_TA_constraint_stats_list.Viol_total 11300.64
_TA_constraint_stats_list.Viol_max 12.48
_TA_constraint_stats_list.Viol_rms 1.22
_TA_constraint_stats_list.Viol_average_all_restraints 0.36
_TA_constraint_stats_list.Viol_average_violations_only 2.21
_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 PHI 1 12 ASP C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -67.80 -47.80 -67.92 -67.95 -68.98 12.48 9 1 "[ . +1 ]"
2 PSI 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 ALA N -55.80 -9.80 -21.81 -13.69 -23.34 0.77 5 0 "[ . 1 ]"
3 PHI 1 13 LYS C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -78.30 -48.50 -68.11 -78.12 -59.01 . . 0 "[ . 1 ]"
4 PSI 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 ALA N -51.30 -31.30 -42.98 -41.71 -48.51 2.76 11 0 "[ . 1 ]"
5 PHI 1 14 ALA C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -75.40 -49.40 -68.98 -77.53 -51.24 2.13 7 0 "[ . 1 ]"
6 PSI 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 ILE N -58.80 -30.40 -40.38 -50.64 -29.01 1.39 7 0 "[ . 1 ]"
7 PHI 1 15 ALA C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -79.30 -53.10 -63.01 -81.21 -54.09 1.91 11 0 "[ . 1 ]"
8 PSI 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LYS N -53.00 -28.30 -44.80 -45.51 -48.79 1.45 14 0 "[ . 1 ]"
9 PHI 1 16 ILE C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -73.20 -53.20 -66.02 -61.55 -64.71 1.39 11 0 "[ . 1 ]"
10 PSI 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 THR N -50.20 -25.50 -38.65 -50.86 -25.14 0.66 11 0 "[ . 1 ]"
11 PHI 1 17 LYS C 1 18 THR N 1 18 THR CA 1 18 THR C -75.20 -55.20 -65.47 -63.37 -65.65 6.08 11 1 "[ . 1+ ]"
12 PSI 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 LEU N -47.80 -27.80 -37.41 -34.45 -37.84 6.23 11 1 "[ . 1+ ]"
13 PHI 1 18 THR C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -74.50 -48.50 -60.91 -81.43 -44.54 6.93 11 1 "[ . 1+ ]"
14 PSI 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 ILE N -53.40 -33.40 -44.00 -51.56 -34.35 . . 0 "[ . 1 ]"
15 PHI 1 19 LEU C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -71.80 -51.80 -65.78 -75.18 -58.69 3.38 11 0 "[ . 1 ]"
16 PSI 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 SER N -56.90 -32.20 -41.02 -34.10 -35.83 . . 0 "[ . 1 ]"
17 PHI 1 20 ILE C 1 21 SER N 1 21 SER CA 1 21 SER C -70.50 -50.50 -66.22 -70.47 -61.71 . . 0 "[ . 1 ]"
18 PSI 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 ALA N -52.60 -30.00 -42.33 -53.06 -29.05 0.95 6 0 "[ . 1 ]"
19 PHI 1 21 SER C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -76.30 -55.20 -62.45 -75.01 -52.94 2.26 11 0 "[ . 1 ]"
20 PSI 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ALA N -54.80 -21.90 -38.99 -41.41 -44.60 . . 0 "[ . 1 ]"
21 PHI 1 22 ALA C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -75.20 -55.20 -60.57 -61.32 -61.52 8.53 11 2 "[ . 1+ -]"
22 PSI 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 TYR N -52.10 -32.10 -37.33 -46.15 -30.36 1.74 3 0 "[ . 1 ]"
23 PHI 1 23 ALA C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -82.30 -53.20 -69.65 -78.78 -59.07 . . 0 "[ . 1 ]"
24 PSI 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 ARG N -48.40 -28.20 -44.73 -52.48 -28.42 4.08 11 0 "[ . 1 ]"
25 PHI 1 24 TYR C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -76.10 -53.40 -62.08 -69.83 -70.76 6.42 11 1 "[ . 1+ ]"
26 PSI 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 GLN N -55.50 -16.50 -21.39 -36.88 -13.20 3.30 12 0 "[ . 1 ]"
27 PHI 1 34 PRO C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -105.50 -35.90 -69.94 -64.73 -67.01 . . 0 "[ . 1 ]"
28 PSI 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 ILE N -57.20 9.80 -31.43 -27.54 -29.55 . . 0 "[ . 1 ]"
29 PHI 1 35 TYR C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -82.10 -49.20 -74.00 -83.36 -57.91 1.26 13 0 "[ . 1 ]"
30 PSI 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ALA N -53.50 -9.60 -44.06 -49.13 -38.22 . . 0 "[ . 1 ]"
31 PHI 1 36 ILE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -79.80 -50.70 -59.90 -64.16 -56.22 . . 0 "[ . 1 ]"
32 PSI 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 GLN N -55.10 -12.40 -38.10 -27.70 -30.68 . . 0 "[ . 1 ]"
33 PHI 1 37 ALA C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -75.60 -53.90 -76.70 -76.60 -79.40 6.40 14 2 "[ . - 1 +]"
34 PSI 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 ASN N -66.00 -7.50 -25.49 -61.38 -11.44 . . 0 "[ . 1 ]"
35 PHI 1 38 GLN C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -78.10 -54.70 -78.40 -83.34 -63.21 5.24 7 1 "[ . + 1 ]"
36 PSI 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 GLU N -46.30 -26.30 -41.34 -47.56 -25.69 1.26 11 0 "[ . 1 ]"
37 PHI 1 39 ASN C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -95.90 -57.90 -75.87 -85.50 -94.28 . . 0 "[ . 1 ]"
38 PSI 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 PHE N -53.20 -19.20 -50.88 -54.49 -55.44 8.76 14 3 "[ . -* +]"
39 PHI 1 41 PHE C 1 42 SER N 1 42 SER CA 1 42 SER C -73.10 -47.70 -65.09 -64.97 -66.23 0.17 6 0 "[ . 1 ]"
40 PSI 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 GLY N -48.30 -17.50 -48.95 -55.40 -30.20 7.10 5 1 "[ + 1 ]"
41 PHI 1 42 SER C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -79.50 -54.40 -75.45 -78.06 -78.96 0.40 3 0 "[ . 1 ]"
42 PSI 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 TRP N -51.70 -31.70 -33.60 -45.91 -26.89 4.81 13 0 "[ . 1 ]"
43 PHI 1 43 GLY C 1 44 TRP N 1 44 TRP CA 1 44 TRP C -81.80 -50.00 -70.83 -72.58 -81.10 0.41 13 0 "[ . 1 ]"
44 PSI 1 44 TRP N 1 44 TRP CA 1 44 TRP C 1 45 GLU N -62.80 -23.40 -37.07 -50.96 -25.12 . . 0 "[ . 1 ]"
45 PHI 1 44 TRP C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -70.30 -50.30 -64.92 -65.04 -67.66 1.78 14 0 "[ . 1 ]"
46 PSI 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 SER N -49.90 -29.90 -41.13 -50.44 -28.70 1.20 14 0 "[ . 1 ]"
47 PHI 1 45 GLU C 1 46 SER N 1 46 SER CA 1 46 SER C -74.00 -54.00 -58.77 -65.83 -52.37 1.63 7 0 "[ . 1 ]"
48 PSI 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 LYS N -54.60 -31.70 -39.94 -36.54 -38.16 0.78 9 0 "[ . 1 ]"
49 PHI 1 46 SER C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -74.10 -54.10 -64.53 -61.82 -62.99 0.23 7 0 "[ . 1 ]"
50 PSI 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 LEU N -52.20 -32.20 -39.59 -46.50 -32.60 . . 0 "[ . 1 ]"
51 PHI 1 47 LYS C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -73.30 -53.30 -71.27 -74.04 -64.56 0.74 2 0 "[ . 1 ]"
52 PSI 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLY N -57.70 -19.10 -43.68 -60.94 -30.69 3.24 9 0 "[ . 1 ]"
53 PHI 1 48 LEU C 1 49 GLY N 1 49 GLY CA 1 49 GLY C -70.90 -50.90 -65.96 -67.08 -69.59 3.80 13 0 "[ . 1 ]"
54 PSI 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 ASN N -47.60 -9.60 -34.98 -33.52 -35.43 3.76 11 0 "[ . 1 ]"
55 PHI 1 49 GLY C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -122.50 -62.70 -82.37 -88.19 -91.47 2.72 9 0 "[ . 1 ]"
56 PSI 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 GLY N -17.70 19.60 -8.51 -18.87 -19.11 2.36 3 0 "[ . 1 ]"
57 PHI 1 54 THR C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -74.40 -48.30 -64.25 -65.89 -71.11 . . 0 "[ . 1 ]"
58 PSI 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 LYS N -52.30 -24.70 -36.77 -34.54 -38.28 0.35 14 0 "[ . 1 ]"
59 PHI 1 55 VAL C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -79.80 -44.80 -54.44 -76.38 -41.78 3.02 13 0 "[ . 1 ]"
60 PSI 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 GLU N -55.60 -34.10 -49.92 -48.24 -50.49 3.19 11 0 "[ . 1 ]"
61 PHI 1 56 LYS C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -80.80 -50.50 -65.99 -79.28 -50.10 0.40 11 0 "[ . 1 ]"
62 PSI 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 PHE N -57.20 -24.40 -32.53 -42.51 -21.81 2.59 14 0 "[ . 1 ]"
63 PHI 1 57 GLU C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -73.50 -53.50 -65.99 -57.85 -61.22 3.94 5 0 "[ . 1 ]"
64 PSI 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 ILE N -57.20 -37.20 -45.52 -51.90 -38.03 . . 0 "[ . 1 ]"
65 PHI 1 58 PHE C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -80.60 -51.30 -64.46 -66.18 -68.11 . . 0 "[ . 1 ]"
66 PSI 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 GLU N -49.00 -29.00 -40.30 -38.58 -39.49 1.35 7 0 "[ . 1 ]"
67 PHI 1 59 ILE C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -73.10 -48.00 -57.79 -67.52 -50.28 . . 0 "[ . 1 ]"
68 PSI 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLY N -51.20 -31.20 -43.80 -51.52 -35.92 0.32 5 0 "[ . 1 ]"
69 PHI 1 60 GLU C 1 61 GLY N 1 61 GLY CA 1 61 GLY C -80.60 -48.10 -63.12 -81.26 -52.87 0.66 10 0 "[ . 1 ]"
70 PSI 1 61 GLY N 1 61 GLY CA 1 61 GLY C 1 62 LEU N -56.40 -16.00 -29.38 -30.37 -32.99 . . 0 "[ . 1 ]"
71 PHI 1 61 GLY C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -76.10 -55.50 -70.48 -77.15 -64.69 1.05 11 0 "[ . 1 ]"
72 PSI 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLY N -56.20 -13.90 -35.04 -33.30 -36.02 . . 0 "[ . 1 ]"
73 PHI 1 62 LEU C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -99.20 -43.40 -70.22 -87.73 -53.69 . . 0 "[ . 1 ]"
74 PSI 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 TYR N -55.50 12.50 -23.62 -18.08 -21.85 . . 0 "[ . 1 ]"
75 PHI 1 65 SER C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -71.70 -48.40 -60.40 -63.97 -56.69 . . 0 "[ . 1 ]"
76 PSI 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 LEU N -52.30 -17.40 -20.93 -31.29 -15.60 1.80 14 0 "[ . 1 ]"
77 PHI 1 66 ASN C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -74.90 -53.70 -63.11 -60.69 -61.50 . . 0 "[ . 1 ]"
78 PSI 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 TYR N -57.90 -26.80 -47.29 -61.35 -24.27 3.45 10 0 "[ . 1 ]"
79 PHI 1 67 LEU C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -72.30 -52.30 -63.03 -76.92 -49.38 4.62 11 0 "[ . 1 ]"
80 PSI 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 LEU N -51.60 -31.60 -39.85 -45.63 -47.57 0.47 7 0 "[ . 1 ]"
81 PHI 1 68 TYR C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -72.10 -50.60 -67.01 -71.21 -71.89 0.55 11 0 "[ . 1 ]"
82 PSI 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N -51.40 -31.40 -35.71 -29.17 -29.45 10.12 14 1 "[ . 1 +]"
83 PHI 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -90.70 -48.30 -71.33 -92.02 -60.37 1.32 9 0 "[ . 1 ]"
84 PSI 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 GLU N -52.40 -25.70 -38.06 -55.66 -25.02 3.26 11 0 "[ . 1 ]"
85 PHI 1 70 LYS C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -99.10 -48.80 -76.39 -75.49 -77.20 . . 0 "[ . 1 ]"
86 PSI 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 PHE N -52.50 -17.30 -50.23 -64.11 -22.69 11.61 14 2 "[ -. 1 +]"
87 PHI 1 77 PRO C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -71.90 -31.80 -48.59 -52.38 -55.52 9.88 14 1 "[ . 1 +]"
88 PSI 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 THR N -66.10 -14.40 -46.52 -60.58 -28.42 . . 0 "[ . 1 ]"
89 PHI 1 78 ASN C 1 79 THR N 1 79 THR CA 1 79 THR C -71.40 -51.40 -59.55 -55.61 -58.67 2.20 13 0 "[ . 1 ]"
90 PSI 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 LYS N -54.90 -24.30 -36.45 -52.67 -20.27 4.03 14 0 "[ . 1 ]"
91 PHI 1 79 THR C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -90.70 -47.40 -74.76 -65.08 -68.30 2.16 5 0 "[ . 1 ]"
92 PSI 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 VAL N -52.10 -28.50 -33.03 -37.13 -26.87 1.63 11 0 "[ . 1 ]"
93 PHI 1 80 LYS C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -75.60 -55.60 -64.88 -69.53 -56.56 . . 0 "[ . 1 ]"
94 PSI 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 ILE N -64.20 -19.00 -29.59 -29.06 -30.56 . . 0 "[ . 1 ]"
95 PHI 1 81 VAL C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -75.10 -55.10 -69.56 -80.41 -63.21 5.31 11 1 "[ . 1+ ]"
96 PSI 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 GLU N -51.00 -31.00 -48.79 -52.85 -53.28 3.31 10 0 "[ . 1 ]"
97 PHI 1 82 ILE C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -82.00 -52.50 -70.58 -65.26 -68.24 . . 0 "[ . 1 ]"
98 PSI 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 LEU N -56.10 -16.80 -44.62 -65.14 -23.54 9.04 14 1 "[ . 1 +]"
99 PHI 1 83 GLU C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -85.30 -49.40 -67.20 -61.96 -70.76 5.55 9 1 "[ . +1 ]"
100 PSI 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLY N -55.00 -25.50 -32.74 -45.75 -15.09 10.41 11 1 "[ . 1+ ]"
101 PHI 1 84 LEU C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -81.30 -46.10 -70.25 -65.38 -68.99 0.75 11 0 "[ . 1 ]"
102 PSI 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 THR N -54.50 -31.00 -49.30 -56.67 -40.80 2.17 14 0 "[ . 1 ]"
103 PHI 1 85 GLY C 1 86 THR N 1 86 THR CA 1 86 THR C -76.40 -56.40 -64.05 -79.10 -54.64 2.70 4 0 "[ . 1 ]"
104 PSI 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 LYS N -51.20 -31.20 -36.82 -46.10 -19.21 11.99 11 1 "[ . 1+ ]"
105 PHI 1 86 THR C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -74.60 -54.60 -65.50 -53.93 -55.97 1.55 10 0 "[ . 1 ]"
106 PSI 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 HIS N -51.00 -10.60 -32.07 -38.40 -41.93 6.16 9 1 "[ . +1 ]"
107 PHI 1 87 LYS C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -88.80 -60.20 -82.67 -100.69 -50.90 11.89 14 3 "[ . *1 -+]"
108 PSI 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 PHE N -71.20 12.80 -25.03 -50.25 13.68 0.88 10 0 "[ . 1 ]"
109 PHI 1 97 GLN C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -83.60 -55.30 -68.47 -67.90 -69.45 4.36 11 0 "[ . 1 ]"
110 PSI 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 GLU N -45.60 -25.60 -36.42 -34.12 -35.03 . . 0 "[ . 1 ]"
111 PHI 1 98 ALA C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -73.70 -53.70 -64.85 -72.42 -54.80 . . 0 "[ . 1 ]"
112 PSI 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ILE N -56.30 -36.30 -41.92 -42.30 -43.61 3.83 11 0 "[ . 1 ]"
113 PHI 1 99 GLU C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -72.50 -52.50 -62.88 -68.57 -58.35 . . 0 "[ . 1 ]"
114 PSI 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ARG N -52.20 -32.20 -46.36 -54.49 -36.17 2.29 11 0 "[ . 1 ]"
115 PHI 1 100 ILE C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -71.90 -51.90 -61.64 -74.54 -46.55 5.35 11 1 "[ . 1+ ]"
116 PSI 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 LYS N -52.50 -32.50 -33.84 -32.72 -33.64 2.91 5 0 "[ . 1 ]"
117 PHI 1 101 ARG C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -75.20 -53.50 -62.70 -67.69 -70.53 . . 0 "[ . 1 ]"
118 PSI 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 TYR N -51.30 -28.90 -50.76 -51.39 -52.13 5.14 9 1 "[ . +1 ]"
119 PHI 1 102 LYS C 1 103 TYR N 1 103 TYR CA 1 103 TYR C -80.40 -54.80 -66.94 -83.15 -59.78 2.75 11 0 "[ . 1 ]"
120 PSI 1 103 TYR N 1 103 TYR CA 1 103 TYR C 1 104 ASN N -55.70 -22.90 -37.90 -29.26 -35.39 0.73 10 0 "[ . 1 ]"
121 PHI 1 103 TYR C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -72.00 -48.60 -60.92 -74.68 -43.73 4.87 9 0 "[ . 1 ]"
122 PSI 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 GLN N -52.70 -32.10 -40.18 -48.23 -32.71 . . 0 "[ . 1 ]"
123 PHI 1 104 ASN C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -73.30 -53.30 -67.79 -73.30 -62.39 0.00 9 0 "[ . 1 ]"
124 PSI 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 ILE N -49.60 -29.60 -38.55 -41.03 -43.88 2.21 13 0 "[ . 1 ]"
125 PHI 1 105 GLN C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -73.60 -53.60 -64.63 -79.67 -53.04 6.07 11 1 "[ . 1+ ]"
126 PSI 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 LEU N -53.30 -33.30 -47.06 -44.43 -46.16 7.03 13 1 "[ . 1 + ]"
127 PHI 1 106 ILE C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -71.10 -51.10 -59.43 -72.06 -41.96 9.14 13 2 "[ . 1- + ]"
128 PSI 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 ALA N -57.30 -29.50 -39.96 -38.81 -39.92 . . 0 "[ . 1 ]"
129 PHI 1 107 LEU C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -90.20 -45.40 -70.66 -80.19 -58.97 . . 0 "[ . 1 ]"
130 PSI 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 THR N -54.10 -22.70 -43.94 -55.07 -21.57 1.13 11 0 "[ . 1 ]"
131 PHI 1 112 ILE C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -68.20 -47.60 -61.02 -65.07 -65.69 . . 0 "[ . 1 ]"
132 PSI 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 ALA N -58.70 -26.80 -44.97 -31.22 -33.57 7.26 14 1 "[ . 1 +]"
133 PHI 1 113 ARG C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -76.20 -55.90 -69.39 -72.95 -76.08 6.61 14 2 "[ . -1 +]"
134 PSI 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 PHE N -51.00 -22.50 -32.77 -48.34 -20.91 1.59 14 0 "[ . 1 ]"
135 PHI 1 114 ALA C 1 115 PHE N 1 115 PHE CA 1 115 PHE C -74.40 -54.40 -64.59 -62.78 -64.39 3.76 11 0 "[ . 1 ]"
136 PSI 1 115 PHE N 1 115 PHE CA 1 115 PHE C 1 116 ILE N -66.80 -22.20 -52.59 -52.29 -55.45 3.48 11 0 "[ . 1 ]"
137 PHI 1 115 PHE C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -70.20 -49.40 -59.59 -72.52 -43.44 5.96 11 1 "[ . 1+ ]"
138 PSI 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 ASN N -60.30 -27.30 -48.55 -59.74 -37.07 . . 0 "[ . 1 ]"
139 PHI 1 116 ILE C 1 117 ASN N 1 117 ASN CA 1 117 ASN C -86.40 -45.70 -54.30 -67.14 -40.68 5.02 14 1 "[ . 1 +]"
140 PSI 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 ALA N -52.90 -32.90 -39.99 -49.05 -34.08 . . 0 "[ . 1 ]"
141 PHI 1 117 ASN C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -76.80 -52.20 -63.49 -66.18 -67.55 . . 0 "[ . 1 ]"
142 PSI 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 LEU N -53.50 -24.80 -37.75 -39.68 -40.63 1.72 14 0 "[ . 1 ]"
143 PHI 1 118 ALA C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -89.30 -53.60 -71.44 -87.36 -49.66 3.94 11 0 "[ . 1 ]"
144 PSI 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 VAL N -82.50 29.60 -47.64 -59.90 -34.23 . . 0 "[ . 1 ]"
145 PHI 1 119 LEU C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -88.80 -46.00 -68.62 -78.15 -80.52 1.05 9 0 "[ . 1 ]"
146 PSI 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 ASN N -59.60 7.90 -38.11 -26.34 -32.48 0.84 14 0 "[ . 1 ]"
147 PHI 1 122 SER C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -68.00 -48.00 -62.61 -47.52 -53.90 4.41 9 0 "[ . 1 ]"
148 PSI 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 GLU N -55.10 -20.90 -34.60 -52.58 -22.51 . . 0 "[ . 1 ]"
149 PHI 1 123 GLN C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -74.30 -51.00 -60.22 -54.08 -56.90 0.15 7 0 "[ . 1 ]"
150 PSI 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 TYR N -52.50 -32.50 -41.74 -53.31 -30.84 1.66 12 0 "[ . 1 ]"
151 PHI 1 124 GLU C 1 125 TYR N 1 125 TYR CA 1 125 TYR C -75.10 -47.60 -68.44 -79.90 -58.23 4.80 7 0 "[ . 1 ]"
152 PSI 1 125 TYR N 1 125 TYR CA 1 125 TYR C 1 126 ASN N -53.20 -30.20 -47.80 -48.26 -53.88 3.26 3 0 "[ . 1 ]"
153 PHI 1 125 TYR C 1 126 ASN N 1 126 ASN CA 1 126 ASN C -73.10 -50.30 -65.77 -62.74 -65.00 0.77 3 0 "[ . 1 ]"
154 PSI 1 126 ASN N 1 126 ASN CA 1 126 ASN C 1 127 GLU N -65.70 -16.00 -41.00 -67.70 -20.86 2.00 7 0 "[ . 1 ]"
155 PHI 1 126 ASN C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -90.70 -48.50 -75.56 -91.55 -56.81 0.85 14 0 "[ . 1 ]"
156 PSI 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 VAL N -78.90 30.00 -42.94 -59.15 -26.14 . . 0 "[ . 1 ]"
157 PHI 1 127 GLU C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -114.70 -45.90 -77.16 -89.44 -100.56 . . 0 "[ . 1 ]"
158 PSI 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 PHE N -62.20 2.90 -51.15 -27.93 -35.84 1.90 1 0 "[ . 1 ]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 158
_TA_constraint_stats_list.Viol_count 366
_TA_constraint_stats_list.Viol_total 11287.91
_TA_constraint_stats_list.Viol_max 12.48
_TA_constraint_stats_list.Viol_rms 1.22
_TA_constraint_stats_list.Viol_average_all_restraints 0.36
_TA_constraint_stats_list.Viol_average_violations_only 2.20
_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 12 ASP C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -67.80 -47.80 -67.92 -67.95 -68.98 12.48 9 1 "[ . +1 ]"
2 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 ALA N -55.80 -9.80 -21.81 -13.69 -23.34 0.77 5 0 "[ . 1 ]"
3 . 1 13 LYS C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -78.30 -48.50 -68.11 -78.12 -59.01 . . 0 "[ . 1 ]"
4 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 ALA N -51.30 -31.30 -42.98 -41.71 -48.51 2.76 11 0 "[ . 1 ]"
5 . 1 14 ALA C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -75.40 -49.40 -68.98 -77.53 -51.24 2.13 7 0 "[ . 1 ]"
6 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 ILE N -58.80 -30.40 -40.38 -50.64 -29.01 1.39 7 0 "[ . 1 ]"
7 . 1 15 ALA C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -79.30 -53.10 -63.01 -81.21 -54.09 1.91 11 0 "[ . 1 ]"
8 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LYS N -53.00 -28.40 -44.80 -45.51 -48.79 1.45 14 0 "[ . 1 ]"
9 . 1 16 ILE C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -73.20 -53.20 -66.02 -61.55 -64.71 1.39 11 0 "[ . 1 ]"
10 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 THR N -50.10 -25.50 -38.65 -50.86 -25.14 0.76 11 0 "[ . 1 ]"
11 . 1 17 LYS C 1 18 THR N 1 18 THR CA 1 18 THR C -75.20 -55.20 -65.47 -63.37 -65.65 6.08 11 1 "[ . 1+ ]"
12 . 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 LEU N -47.80 -27.80 -37.41 -34.45 -37.84 6.23 11 1 "[ . 1+ ]"
13 . 1 18 THR C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -74.50 -48.50 -60.91 -81.43 -44.54 6.93 11 1 "[ . 1+ ]"
14 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 ILE N -53.40 -33.40 -44.00 -51.56 -34.35 . . 0 "[ . 1 ]"
15 . 1 19 LEU C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -71.80 -51.80 -65.78 -75.18 -58.69 3.38 11 0 "[ . 1 ]"
16 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 SER N -57.00 -32.20 -41.02 -34.10 -35.83 . . 0 "[ . 1 ]"
17 . 1 20 ILE C 1 21 SER N 1 21 SER CA 1 21 SER C -70.50 -50.50 -66.22 -70.47 -61.71 . . 0 "[ . 1 ]"
18 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 ALA N -52.60 -30.00 -42.33 -53.06 -29.05 0.95 6 0 "[ . 1 ]"
19 . 1 21 SER C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -76.30 -55.30 -62.45 -75.01 -52.94 2.36 11 0 "[ . 1 ]"
20 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ALA N -54.80 -22.00 -38.99 -41.41 -44.60 . . 0 "[ . 1 ]"
21 . 1 22 ALA C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -75.20 -55.20 -60.57 -61.32 -61.52 8.53 11 2 "[ . 1+ -]"
22 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 TYR N -52.10 -32.10 -37.33 -46.15 -30.36 1.74 3 0 "[ . 1 ]"
23 . 1 23 ALA C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -82.20 -53.20 -69.65 -78.78 -59.07 . . 0 "[ . 1 ]"
24 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 ARG N -48.40 -28.20 -44.73 -52.48 -28.42 4.08 11 0 "[ . 1 ]"
25 . 1 24 TYR C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -76.10 -53.30 -62.08 -69.83 -70.76 6.32 11 1 "[ . 1+ ]"
26 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 GLN N -55.50 -16.50 -21.39 -36.88 -13.20 3.30 12 0 "[ . 1 ]"
27 . 1 34 PRO C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -105.50 -35.90 -69.94 -64.73 -67.01 . . 0 "[ . 1 ]"
28 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 ILE N -57.20 9.80 -31.43 -27.54 -29.55 . . 0 "[ . 1 ]"
29 . 1 35 TYR C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -82.00 -49.20 -74.00 -83.36 -57.91 1.36 13 0 "[ . 1 ]"
30 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ALA N -53.40 -9.60 -44.06 -49.13 -38.22 . . 0 "[ . 1 ]"
31 . 1 36 ILE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -79.90 -50.70 -59.90 -64.16 -56.22 . . 0 "[ . 1 ]"
32 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 GLN N -55.00 -12.40 -38.10 -27.70 -30.68 . . 0 "[ . 1 ]"
33 . 1 37 ALA C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -75.50 -53.90 -76.70 -76.60 -79.40 6.50 14 2 "[ . - 1 +]"
34 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 ASN N -66.10 -7.50 -25.49 -61.38 -11.44 . . 0 "[ . 1 ]"
35 . 1 38 GLN C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -78.10 -54.70 -78.40 -83.34 -63.21 5.24 7 1 "[ . + 1 ]"
36 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 GLU N -46.30 -26.30 -41.34 -47.56 -25.69 1.26 11 0 "[ . 1 ]"
37 . 1 39 ASN C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -95.90 -57.90 -75.87 -85.50 -94.28 . . 0 "[ . 1 ]"
38 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 PHE N -53.20 -19.20 -50.88 -54.49 -55.44 8.76 14 3 "[ . -* +]"
39 . 1 41 PHE C 1 42 SER N 1 42 SER CA 1 42 SER C -73.10 -47.70 -65.09 -64.97 -66.23 0.17 6 0 "[ . 1 ]"
40 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 GLY N -48.30 -17.50 -48.95 -55.40 -30.20 7.10 5 1 "[ + 1 ]"
41 . 1 42 SER C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -79.50 -54.30 -75.45 -78.06 -78.96 0.40 3 0 "[ . 1 ]"
42 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 TRP N -51.70 -31.70 -33.60 -45.91 -26.89 4.81 13 0 "[ . 1 ]"
43 . 1 43 GLY C 1 44 TRP N 1 44 TRP CA 1 44 TRP C -81.80 -50.00 -70.83 -72.58 -81.10 0.41 13 0 "[ . 1 ]"
44 . 1 44 TRP N 1 44 TRP CA 1 44 TRP C 1 45 GLU N -62.80 -23.40 -37.07 -50.96 -25.12 . . 0 "[ . 1 ]"
45 . 1 44 TRP C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -70.30 -50.30 -64.92 -65.04 -67.66 1.78 14 0 "[ . 1 ]"
46 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 SER N -49.90 -29.90 -41.13 -50.44 -28.70 1.20 14 0 "[ . 1 ]"
47 . 1 45 GLU C 1 46 SER N 1 46 SER CA 1 46 SER C -74.00 -54.00 -58.77 -65.83 -52.37 1.63 7 0 "[ . 1 ]"
48 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 LYS N -54.70 -31.70 -39.94 -36.54 -38.16 0.78 9 0 "[ . 1 ]"
49 . 1 46 SER C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -74.10 -54.10 -64.53 -61.82 -62.99 0.23 7 0 "[ . 1 ]"
50 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 LEU N -52.20 -32.20 -39.59 -46.50 -32.60 . . 0 "[ . 1 ]"
51 . 1 47 LYS C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -73.30 -53.30 -71.27 -74.04 -64.56 0.74 2 0 "[ . 1 ]"
52 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLY N -57.70 -19.10 -43.68 -60.94 -30.69 3.24 9 0 "[ . 1 ]"
53 . 1 48 LEU C 1 49 GLY N 1 49 GLY CA 1 49 GLY C -70.90 -50.90 -65.96 -67.08 -69.59 3.80 13 0 "[ . 1 ]"
54 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 ASN N -47.60 -9.60 -34.98 -33.52 -35.43 3.76 11 0 "[ . 1 ]"
55 . 1 49 GLY C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -122.50 -62.70 -82.37 -88.19 -91.47 2.72 9 0 "[ . 1 ]"
56 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 GLY N -17.80 19.60 -8.51 -18.87 -19.11 2.26 3 0 "[ . 1 ]"
57 . 1 54 THR C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -74.50 -48.30 -64.25 -65.89 -71.11 . . 0 "[ . 1 ]"
58 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 LYS N -52.30 -24.70 -36.77 -34.54 -38.28 0.35 14 0 "[ . 1 ]"
59 . 1 55 VAL C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -79.80 -44.80 -54.44 -76.38 -41.78 3.02 13 0 "[ . 1 ]"
60 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 GLU N -55.60 -34.20 -49.92 -48.24 -50.49 3.19 11 0 "[ . 1 ]"
61 . 1 56 LYS C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -80.80 -50.60 -65.99 -79.28 -50.10 0.50 11 0 "[ . 1 ]"
62 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 PHE N -57.20 -24.40 -32.53 -42.51 -21.81 2.59 14 0 "[ . 1 ]"
63 . 1 57 GLU C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -73.50 -53.50 -65.99 -57.85 -61.22 3.94 5 0 "[ . 1 ]"
64 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 ILE N -57.20 -37.20 -45.52 -51.90 -38.03 . . 0 "[ . 1 ]"
65 . 1 58 PHE C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -80.50 -51.30 -64.46 -66.18 -68.11 . . 0 "[ . 1 ]"
66 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 GLU N -49.00 -29.00 -40.30 -38.58 -39.49 1.35 7 0 "[ . 1 ]"
67 . 1 59 ILE C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -73.00 -48.00 -57.79 -67.52 -50.28 . . 0 "[ . 1 ]"
68 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLY N -51.20 -31.20 -43.80 -51.52 -35.92 0.32 5 0 "[ . 1 ]"
69 . 1 60 GLU C 1 61 GLY N 1 61 GLY CA 1 61 GLY C -80.50 -48.10 -63.12 -81.26 -52.87 0.76 10 0 "[ . 1 ]"
70 . 1 61 GLY N 1 61 GLY CA 1 61 GLY C 1 62 LEU N -56.40 -16.00 -29.38 -30.37 -32.99 . . 0 "[ . 1 ]"
71 . 1 61 GLY C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -76.10 -55.50 -70.48 -77.15 -64.69 1.05 11 0 "[ . 1 ]"
72 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLY N -56.30 -13.90 -35.04 -33.30 -36.02 . . 0 "[ . 1 ]"
73 . 1 62 LEU C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -99.20 -43.40 -70.22 -87.73 -53.69 . . 0 "[ . 1 ]"
74 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 TYR N -55.50 12.50 -23.62 -18.08 -21.85 . . 0 "[ . 1 ]"
75 . 1 65 SER C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -71.80 -48.40 -60.40 -63.97 -56.69 . . 0 "[ . 1 ]"
76 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 LEU N -52.30 -17.30 -20.93 -31.29 -15.60 1.70 14 0 "[ . 1 ]"
77 . 1 66 ASN C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -74.90 -53.70 -63.11 -60.69 -61.50 . . 0 "[ . 1 ]"
78 . 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 TYR N -57.90 -26.90 -47.29 -61.35 -24.27 3.45 10 0 "[ . 1 ]"
79 . 1 67 LEU C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -72.30 -52.30 -63.03 -76.92 -49.38 4.62 11 0 "[ . 1 ]"
80 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 LEU N -51.60 -31.60 -39.85 -45.63 -47.57 0.47 7 0 "[ . 1 ]"
81 . 1 68 TYR C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -72.10 -50.70 -67.01 -71.21 -71.89 0.55 11 0 "[ . 1 ]"
82 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N -51.40 -31.40 -35.71 -29.17 -29.45 10.12 14 1 "[ . 1 +]"
83 . 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -90.70 -48.30 -71.33 -92.02 -60.37 1.32 9 0 "[ . 1 ]"
84 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 GLU N -52.40 -25.60 -38.06 -55.66 -25.02 3.26 11 0 "[ . 1 ]"
85 . 1 70 LYS C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -99.10 -48.90 -76.39 -75.49 -77.20 . . 0 "[ . 1 ]"
86 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 PHE N -52.50 -17.30 -50.23 -64.11 -22.69 11.61 14 2 "[ -. 1 +]"
87 . 1 77 PRO C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -72.00 -31.80 -48.59 -52.38 -55.52 9.88 14 1 "[ . 1 +]"
88 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 THR N -66.10 -14.50 -46.52 -60.58 -28.42 . . 0 "[ . 1 ]"
89 . 1 78 ASN C 1 79 THR N 1 79 THR CA 1 79 THR C -71.40 -51.40 -59.55 -55.61 -58.67 2.20 13 0 "[ . 1 ]"
90 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 LYS N -54.90 -24.30 -36.45 -52.67 -20.27 4.03 14 0 "[ . 1 ]"
91 . 1 79 THR C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -90.80 -47.40 -74.76 -65.08 -68.30 2.06 5 0 "[ . 1 ]"
92 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 VAL N -52.10 -28.50 -33.03 -37.13 -26.87 1.63 11 0 "[ . 1 ]"
93 . 1 80 LYS C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -75.60 -55.60 -64.88 -69.53 -56.56 . . 0 "[ . 1 ]"
94 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 ILE N -64.20 -19.00 -29.59 -29.06 -30.56 . . 0 "[ . 1 ]"
95 . 1 81 VAL C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -75.10 -55.10 -69.56 -80.41 -63.21 5.31 11 1 "[ . 1+ ]"
96 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 GLU N -51.00 -31.00 -48.79 -52.85 -53.28 3.31 10 0 "[ . 1 ]"
97 . 1 82 ILE C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -81.90 -52.50 -70.58 -65.26 -68.24 . . 0 "[ . 1 ]"
98 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 LEU N -56.10 -16.90 -44.62 -65.14 -23.54 9.04 14 1 "[ . 1 +]"
99 . 1 83 GLU C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -85.30 -49.30 -67.20 -61.96 -70.76 5.45 9 1 "[ . +1 ]"
100 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLY N -54.90 -25.50 -32.74 -45.75 -15.09 10.41 11 1 "[ . 1+ ]"
101 . 1 84 LEU C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -81.30 -46.10 -70.25 -65.38 -68.99 0.75 11 0 "[ . 1 ]"
102 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 THR N -54.60 -31.00 -49.30 -56.67 -40.80 2.07 14 0 "[ . 1 ]"
103 . 1 85 GLY C 1 86 THR N 1 86 THR CA 1 86 THR C -76.40 -56.40 -64.05 -79.10 -54.64 2.70 4 0 "[ . 1 ]"
104 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 LYS N -51.20 -31.20 -36.82 -46.10 -19.21 11.99 11 1 "[ . 1+ ]"
105 . 1 86 THR C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -74.60 -54.60 -65.50 -53.93 -55.97 1.55 10 0 "[ . 1 ]"
106 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 HIS N -51.00 -10.60 -32.07 -38.40 -41.93 6.16 9 1 "[ . +1 ]"
107 . 1 87 LYS C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -88.80 -60.20 -82.67 -100.69 -50.90 11.89 14 3 "[ . *1 -+]"
108 . 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 PHE N -71.20 12.80 -25.03 -50.25 13.68 0.88 10 0 "[ . 1 ]"
109 . 1 97 GLN C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -83.60 -55.40 -68.47 -67.90 -69.45 4.36 11 0 "[ . 1 ]"
110 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 GLU N -45.60 -25.60 -36.42 -34.12 -35.03 . . 0 "[ . 1 ]"
111 . 1 98 ALA C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -73.70 -53.70 -64.85 -72.42 -54.80 . . 0 "[ . 1 ]"
112 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ILE N -56.30 -36.30 -41.92 -42.30 -43.61 3.83 11 0 "[ . 1 ]"
113 . 1 99 GLU C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -72.50 -52.50 -62.88 -68.57 -58.35 . . 0 "[ . 1 ]"
114 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ARG N -52.20 -32.20 -46.36 -54.49 -36.17 2.29 11 0 "[ . 1 ]"
115 . 1 100 ILE C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -71.90 -51.90 -61.64 -74.54 -46.55 5.35 11 1 "[ . 1+ ]"
116 . 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 LYS N -52.50 -32.50 -33.84 -32.72 -33.64 2.91 5 0 "[ . 1 ]"
117 . 1 101 ARG C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -75.20 -53.40 -62.70 -67.69 -70.53 . . 0 "[ . 1 ]"
118 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 TYR N -51.30 -28.90 -50.76 -51.39 -52.13 5.14 9 1 "[ . +1 ]"
119 . 1 102 LYS C 1 103 TYR N 1 103 TYR CA 1 103 TYR C -80.40 -54.80 -66.94 -83.15 -59.78 2.75 11 0 "[ . 1 ]"
120 . 1 103 TYR N 1 103 TYR CA 1 103 TYR C 1 104 ASN N -55.70 -22.90 -37.90 -29.26 -35.39 0.73 10 0 "[ . 1 ]"
121 . 1 103 TYR C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -72.00 -48.60 -60.92 -74.68 -43.73 4.87 9 0 "[ . 1 ]"
122 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 GLN N -52.70 -32.10 -40.18 -48.23 -32.71 . . 0 "[ . 1 ]"
123 . 1 104 ASN C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -73.30 -53.30 -67.79 -73.30 -62.39 0.00 9 0 "[ . 1 ]"
124 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 ILE N -49.60 -29.60 -38.55 -41.03 -43.88 2.21 13 0 "[ . 1 ]"
125 . 1 105 GLN C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -73.60 -53.60 -64.63 -79.67 -53.04 6.07 11 1 "[ . 1+ ]"
126 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 LEU N -53.30 -33.30 -47.06 -44.43 -46.16 7.03 13 1 "[ . 1 + ]"
127 . 1 106 ILE C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -71.10 -51.10 -59.43 -72.06 -41.96 9.14 13 2 "[ . 1- + ]"
128 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 ALA N -57.30 -29.50 -39.96 -38.81 -39.92 . . 0 "[ . 1 ]"
129 . 1 107 LEU C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -90.20 -45.40 -70.66 -80.19 -58.97 . . 0 "[ . 1 ]"
130 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 THR N -54.10 -22.70 -43.94 -55.07 -21.57 1.13 11 0 "[ . 1 ]"
131 . 1 112 ILE C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -68.20 -47.60 -61.02 -65.07 -65.69 . . 0 "[ . 1 ]"
132 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 ALA N -58.80 -26.80 -44.97 -31.22 -33.57 7.16 14 1 "[ . 1 +]"
133 . 1 113 ARG C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -76.20 -55.80 -69.39 -72.95 -76.08 6.51 14 2 "[ . -1 +]"
134 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 PHE N -51.00 -22.60 -32.77 -48.34 -20.91 1.69 14 0 "[ . 1 ]"
135 . 1 114 ALA C 1 115 PHE N 1 115 PHE CA 1 115 PHE C -74.40 -54.40 -64.59 -62.78 -64.39 3.76 11 0 "[ . 1 ]"
136 . 1 115 PHE N 1 115 PHE CA 1 115 PHE C 1 116 ILE N -66.80 -22.20 -52.59 -52.29 -55.45 3.48 11 0 "[ . 1 ]"
137 . 1 115 PHE C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -70.20 -49.40 -59.59 -72.52 -43.44 5.96 11 1 "[ . 1+ ]"
138 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 ASN N -60.30 -27.30 -48.55 -59.74 -37.07 . . 0 "[ . 1 ]"
139 . 1 116 ILE C 1 117 ASN N 1 117 ASN CA 1 117 ASN C -86.50 -45.70 -54.30 -67.14 -40.68 5.02 14 1 "[ . 1 +]"
140 . 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 ALA N -52.90 -32.90 -39.99 -49.05 -34.08 . . 0 "[ . 1 ]"
141 . 1 117 ASN C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -76.80 -52.20 -63.49 -66.18 -67.55 . . 0 "[ . 1 ]"
142 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 LEU N -53.40 -24.80 -37.75 -39.68 -40.63 1.72 14 0 "[ . 1 ]"
143 . 1 118 ALA C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -89.30 -53.70 -71.44 -87.36 -49.66 4.04 11 0 "[ . 1 ]"
144 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 VAL N -82.60 29.60 -47.64 -59.90 -34.23 . . 0 "[ . 1 ]"
145 . 1 119 LEU C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -88.80 -46.00 -68.62 -78.15 -80.52 1.05 9 0 "[ . 1 ]"
146 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 ASN N -59.70 7.90 -38.11 -26.34 -32.48 0.74 14 0 "[ . 1 ]"
147 . 1 122 SER C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -68.00 -48.00 -62.61 -47.52 -53.90 4.41 9 0 "[ . 1 ]"
148 . 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 GLU N -55.10 -20.90 -34.60 -52.58 -22.51 . . 0 "[ . 1 ]"
149 . 1 123 GLN C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -74.30 -50.90 -60.22 -54.08 -56.90 0.05 7 0 "[ . 1 ]"
150 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 TYR N -52.50 -32.50 -41.74 -53.31 -30.84 1.66 12 0 "[ . 1 ]"
151 . 1 124 GLU C 1 125 TYR N 1 125 TYR CA 1 125 TYR C -75.20 -47.60 -68.44 -79.90 -58.23 4.70 7 0 "[ . 1 ]"
152 . 1 125 TYR N 1 125 TYR CA 1 125 TYR C 1 126 ASN N -53.20 -30.20 -47.80 -48.26 -53.88 3.26 3 0 "[ . 1 ]"
153 . 1 125 TYR C 1 126 ASN N 1 126 ASN CA 1 126 ASN C -73.10 -50.30 -65.77 -62.74 -65.00 0.77 3 0 "[ . 1 ]"
154 . 1 126 ASN N 1 126 ASN CA 1 126 ASN C 1 127 GLU N -65.70 -16.10 -41.00 -67.70 -20.86 2.00 7 0 "[ . 1 ]"
155 . 1 126 ASN C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -90.70 -48.50 -75.56 -91.55 -56.81 0.85 14 0 "[ . 1 ]"
156 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 VAL N -78.80 30.00 -42.94 -59.15 -26.14 . . 0 "[ . 1 ]"
157 . 1 127 GLU C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -114.70 -45.90 -77.16 -89.44 -100.56 . . 0 "[ . 1 ]"
158 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 PHE N -62.20 2.80 -51.15 -27.93 -35.84 1.90 1 0 "[ . 1 ]"
stop_
save_