NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581000 |
2mra   |
25067 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mra
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 156
_TA_constraint_stats_list.Viol_count 805
_TA_constraint_stats_list.Viol_total 34849.39
_TA_constraint_stats_list.Viol_max 11.47
_TA_constraint_stats_list.Viol_rms 1.27
_TA_constraint_stats_list.Viol_average_all_restraints 0.56
_TA_constraint_stats_list.Viol_average_violations_only 2.16
_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 5 GLU C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -121.50 -48.30 -87.11 -121.43 -64.81 . . 0 "[ . 1 . 2]"
2 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ARG N 102.10 158.30 100.73 98.17 97.52 6.84 3 3 "[ + - 1 .* 2]"
3 . 1 6 LEU C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -131.20 -79.00 -84.54 -89.26 -92.55 3.32 10 0 "[ . 1 . 2]"
4 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 VAL N 107.70 149.50 119.97 116.11 111.26 3.44 17 0 "[ . 1 . 2]"
5 . 1 7 ARG C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -128.10 -101.50 -111.95 -130.52 -98.70 2.80 12 0 "[ . 1 . 2]"
6 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 GLU N 110.50 139.90 127.89 106.34 143.60 4.16 17 0 "[ . 1 . 2]"
7 . 1 8 VAL C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -116.10 -79.90 -112.99 -112.41 -113.79 3.15 15 0 "[ . 1 . 2]"
8 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ILE N 98.70 137.70 97.72 91.22 103.80 7.48 8 3 "[ * . +-1 . 2]"
9 . 1 9 GLU C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -123.50 -95.10 -92.13 -94.91 -89.21 5.89 11 2 "[ .- 1+ . 2]"
10 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 LYS N 116.50 138.50 113.56 105.03 127.52 11.47 19 4 "[ . -*1* . +2]"
11 . 1 10 ILE C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -128.50 -95.50 -105.95 -97.05 -101.07 3.74 14 0 "[ . 1 . 2]"
12 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 ILE N 114.30 143.90 121.11 109.03 141.43 5.27 2 1 "[ + . 1 . 2]"
13 . 1 11 LYS C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -131.50 -96.90 -101.59 -98.19 -101.19 1.78 14 0 "[ . 1 . 2]"
14 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 ASP N 114.50 142.30 120.28 108.99 137.38 5.51 2 1 "[ + . 1 . 2]"
15 . 1 12 ILE C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -133.00 -91.60 -103.67 -124.90 -88.06 3.54 11 0 "[ . 1 . 2]"
16 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 CYS N 102.80 141.20 107.64 105.58 104.42 5.76 12 1 "[ . 1 + . 2]"
17 . 1 19 LYS C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -89.50 -60.50 -67.93 -84.25 -56.68 3.82 13 0 "[ . 1 . 2]"
18 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 THR N 119.80 146.80 129.11 135.97 131.10 6.22 15 2 "[ . 1 -+ 2]"
19 . 1 20 GLU C 1 21 THR N 1 21 THR CA 1 21 THR C -136.00 -84.00 -114.58 -132.98 -81.27 2.73 11 0 "[ . 1 . 2]"
20 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 THR N 107.80 158.80 111.67 113.75 108.59 4.62 12 0 "[ . 1 . 2]"
21 . 1 21 THR C 1 22 THR N 1 22 THR CA 1 22 THR C -134.50 -87.90 -119.72 -136.30 -87.04 1.80 3 0 "[ . 1 . 2]"
22 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 TYR N 114.80 150.80 134.42 130.04 126.90 2.16 16 0 "[ . 1 . 2]"
23 . 1 22 THR C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -149.10 -107.50 -107.91 -106.67 -107.54 4.82 15 0 "[ . 1 . 2]"
24 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 ASP N 128.50 161.70 127.20 119.66 142.65 8.84 17 1 "[ . 1 . + 2]"
25 . 1 23 TYR C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -114.00 -74.40 -98.91 -111.54 -77.08 . . 0 "[ . 1 . 2]"
26 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 LEU N 99.60 141.00 109.84 97.39 140.04 2.21 4 0 "[ . 1 . 2]"
27 . 1 30 ALA C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -73.80 -53.80 -64.72 -66.39 -67.11 0.39 14 0 "[ . 1 . 2]"
28 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 GLU N -51.30 -29.50 -41.62 -54.88 -25.55 3.95 10 0 "[ . 1 . 2]"
29 . 1 31 GLU C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -76.70 -56.70 -65.67 -81.46 -52.14 4.76 6 0 "[ . 1 . 2]"
30 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ALA N -50.20 -30.00 -41.70 -39.51 -40.65 0.93 16 0 "[ . 1 . 2]"
31 . 1 32 GLU C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -75.20 -55.20 -58.81 -73.66 -53.37 1.83 5 0 "[ . 1 . 2]"
32 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 LYS N -49.00 -29.00 -40.38 -42.73 -42.98 5.87 15 1 "[ . 1 + 2]"
33 . 1 33 ALA C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -75.00 -55.00 -64.18 -68.96 -53.72 1.28 15 0 "[ . 1 . 2]"
34 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 GLU N -51.40 -31.40 -32.16 -39.69 -26.97 4.43 19 0 "[ . 1 . 2]"
35 . 1 34 LYS C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -75.70 -55.70 -70.19 -69.93 -71.06 0.80 19 0 "[ . 1 . 2]"
36 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 LEU N -50.60 -30.60 -44.57 -44.38 -48.61 1.63 19 0 "[ . 1 . 2]"
37 . 1 35 GLU C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -74.90 -54.90 -64.21 -70.13 -56.36 . . 0 "[ . 1 . 2]"
38 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LEU N -53.00 -33.00 -32.13 -37.68 -29.20 3.80 8 0 "[ . 1 . 2]"
39 . 1 36 LEU C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -72.00 -52.00 -58.38 -64.18 -52.92 . . 0 "[ . 1 . 2]"
40 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 LYS N -53.10 -33.10 -47.60 -49.89 -51.30 0.34 5 0 "[ . 1 . 2]"
41 . 1 37 LEU C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -75.30 -55.30 -64.39 -67.74 -70.11 . . 0 "[ . 1 . 2]"
42 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 LYS N -51.10 -31.10 -41.30 -51.68 -29.02 2.08 5 0 "[ . 1 . 2]"
43 . 1 38 LYS C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -77.00 -57.00 -64.31 -74.09 -56.21 0.79 15 0 "[ . 1 . 2]"
44 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 VAL N -51.60 -31.60 -49.07 -51.42 -52.63 5.16 19 1 "[ . 1 . +2]"
45 . 1 39 LYS C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -73.80 -53.80 -63.99 -64.59 -65.77 . . 0 "[ . 1 . 2]"
46 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 ALA N -54.20 -34.20 -40.00 -50.97 -31.83 2.37 12 0 "[ . 1 . 2]"
47 . 1 40 VAL C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -72.70 -52.70 -62.91 -63.26 -64.77 . . 0 "[ . 1 . 2]"
48 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 GLU N -52.80 -32.80 -41.54 -54.31 -30.93 1.87 15 0 "[ . 1 . 2]"
49 . 1 41 ALA C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -73.90 -53.90 -72.82 -67.53 -69.51 4.32 10 0 "[ . 1 . 2]"
50 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 LYS N -53.70 -33.70 -42.77 -45.96 -50.24 2.44 10 0 "[ . 1 . 2]"
51 . 1 42 GLU C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -76.40 -56.40 -69.96 -77.12 -60.32 0.72 9 0 "[ . 1 . 2]"
52 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 ALA N -50.90 -30.90 -36.61 -53.94 -29.96 3.04 12 0 "[ . 1 . 2]"
53 . 1 43 LYS C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -76.00 -56.00 -69.07 -75.59 -57.05 . . 0 "[ . 1 . 2]"
54 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 ALA N -51.40 -31.40 -41.30 -44.39 -45.51 3.23 10 0 "[ . 1 . 2]"
55 . 1 44 ALA C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -73.40 -53.40 -61.76 -56.59 -57.34 . . 0 "[ . 1 . 2]"
56 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 ASP N -50.60 -30.60 -31.67 -30.31 -30.62 2.24 20 0 "[ . 1 . 2]"
57 . 1 45 ALA C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -74.40 -54.40 -64.50 -62.78 -65.04 0.01 6 0 "[ . 1 . 2]"
58 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 LYS N -54.40 -34.40 -41.60 -53.54 -31.33 3.07 10 0 "[ . 1 . 2]"
59 . 1 46 ASP C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -75.00 -55.00 -66.85 -67.16 -69.22 1.02 16 0 "[ . 1 . 2]"
60 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ILE N -51.40 -31.40 -36.26 -31.34 -34.31 2.54 16 0 "[ . 1 . 2]"
61 . 1 47 LYS C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -72.60 -52.60 -68.89 -74.10 -61.73 1.50 9 0 "[ . 1 . 2]"
62 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LYS N -54.30 -34.30 -35.34 -45.83 -29.21 5.09 1 1 "[+ . 1 . 2]"
63 . 1 48 ILE C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -72.70 -52.70 -64.81 -74.18 -51.84 1.48 8 0 "[ . 1 . 2]"
64 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -50.40 -30.40 -37.04 -34.68 -38.21 3.82 8 0 "[ . 1 . 2]"
65 . 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -90.50 -49.10 -74.98 -81.85 -84.69 0.72 1 0 "[ . 1 . 2]"
66 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLN N -48.90 -12.50 -41.16 -44.19 -46.97 3.60 1 0 "[ . 1 . 2]"
67 . 1 54 LYS C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -160.00 -110.40 -137.36 -157.56 -108.33 2.07 18 0 "[ . 1 . 2]"
68 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 VAL N 117.90 155.70 121.23 120.70 119.49 7.12 18 2 "[ . 1 - + 2]"
69 . 1 55 ARG C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -141.80 -111.60 -116.42 -115.35 -122.16 4.27 19 0 "[ . 1 . 2]"
70 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LYS N 122.90 145.50 135.95 142.24 141.15 9.15 14 3 "[ . 1 +-* 2]"
71 . 1 56 VAL C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -141.60 -97.80 -120.63 -125.67 -128.76 2.42 16 0 "[ . 1 . 2]"
72 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ILE N 115.50 147.10 121.12 112.47 146.93 3.03 20 0 "[ . 1 . 2]"
73 . 1 57 LYS C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -139.50 -103.10 -105.65 -101.99 -102.44 5.63 15 2 "[ . - 1 + 2]"
74 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 ARG N 115.80 150.60 114.65 110.58 126.56 5.22 16 1 "[ . 1 .+ 2]"
75 . 1 58 ILE C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -147.60 -111.60 -115.80 -111.42 -112.23 1.52 2 0 "[ . 1 . 2]"
76 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 PHE N 129.00 169.40 140.48 142.88 140.92 1.69 17 0 "[ . 1 . 2]"
77 . 1 59 ARG C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -166.50 -137.50 -152.95 -160.11 -135.12 2.38 7 0 "[ . 1 . 2]"
78 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 GLU N 140.00 172.00 140.17 137.90 137.37 7.60 11 1 "[ . 1+ . 2]"
79 . 1 60 PHE C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -105.50 -53.10 -85.75 -90.93 -94.40 4.49 7 0 "[ . 1 . 2]"
80 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 LYS N 104.20 170.40 124.45 101.78 155.22 2.42 4 0 "[ . 1 . 2]"
81 . 1 67 ASP C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -77.00 -57.00 -67.64 -63.04 -64.62 1.22 17 0 "[ . 1 . 2]"
82 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 ALA N -54.00 -34.00 -48.06 -55.96 -33.77 1.96 2 0 "[ . 1 . 2]"
83 . 1 68 ASP C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -77.20 -57.20 -62.65 -71.68 -55.85 1.35 17 0 "[ . 1 . 2]"
84 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ARG N -52.30 -31.90 -33.73 -35.98 -37.90 2.47 16 0 "[ . 1 . 2]"
85 . 1 69 ALA C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -71.80 -51.80 -63.37 -59.76 -61.31 0.46 11 0 "[ . 1 . 2]"
86 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 LYS N -54.00 -34.00 -46.15 -52.66 -35.69 . . 0 "[ . 1 . 2]"
87 . 1 70 ARG C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -74.30 -54.30 -69.25 -74.88 -61.29 0.58 13 0 "[ . 1 . 2]"
88 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 LYS N -53.20 -33.20 -39.59 -49.59 -31.76 1.44 12 0 "[ . 1 . 2]"
89 . 1 71 LYS C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -75.20 -55.20 -68.06 -58.54 -62.49 2.09 10 0 "[ . 1 . 2]"
90 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 ALA N -51.40 -31.40 -41.50 -52.27 -52.67 2.14 10 0 "[ . 1 . 2]"
91 . 1 72 LYS C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -75.10 -55.10 -70.37 -68.69 -70.24 1.12 8 0 "[ . 1 . 2]"
92 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 LYS N -50.80 -30.80 -34.86 -48.04 -28.46 2.34 10 0 "[ . 1 . 2]"
93 . 1 73 ALA C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -72.90 -52.90 -64.02 -70.31 -55.79 . . 0 "[ . 1 . 2]"
94 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 LYS N -53.50 -33.50 -50.37 -56.23 -40.73 2.73 13 0 "[ . 1 . 2]"
95 . 1 74 LYS C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -74.60 -54.60 -64.78 -63.41 -63.87 . . 0 "[ . 1 . 2]"
96 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 TRP N -51.20 -31.20 -39.70 -34.73 -36.13 0.63 7 0 "[ . 1 . 2]"
97 . 1 75 LYS C 1 76 TRP N 1 76 TRP CA 1 76 TRP C -73.20 -53.20 -58.46 -64.03 -53.14 0.06 9 0 "[ . 1 . 2]"
98 . 1 76 TRP N 1 76 TRP CA 1 76 TRP C 1 77 ALA N -55.50 -35.50 -52.57 -58.05 -46.56 2.55 14 0 "[ . 1 . 2]"
99 . 1 76 TRP C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -72.10 -52.10 -63.05 -71.08 -57.36 . . 0 "[ . 1 . 2]"
100 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 LEU N -51.70 -31.70 -31.98 -38.73 -28.79 2.91 3 0 "[ . 1 . 2]"
101 . 1 77 ALA C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -76.80 -56.80 -69.91 -68.56 -70.52 1.13 6 0 "[ . 1 . 2]"
102 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLU N -48.40 -25.80 -44.20 -47.53 -50.39 2.73 7 0 "[ . 1 . 2]"
103 . 1 78 LEU C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -75.50 -55.50 -67.14 -73.00 -60.82 . . 0 "[ . 1 . 2]"
104 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 VAL N -49.80 -29.80 -38.36 -32.97 -36.59 1.26 18 0 "[ . 1 . 2]"
105 . 1 79 GLU C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -74.50 -54.50 -63.49 -64.11 -65.12 0.36 3 0 "[ . 1 . 2]"
106 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 ALA N -53.50 -33.50 -45.39 -53.75 -34.95 0.25 2 0 "[ . 1 . 2]"
107 . 1 80 VAL C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -72.80 -52.80 -58.95 -62.66 -66.70 . . 0 "[ . 1 . 2]"
108 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 ASN N -51.40 -31.40 -45.78 -51.54 -38.83 0.14 14 0 "[ . 1 . 2]"
109 . 1 81 ALA C 1 82 ASN N 1 82 ASN CA 1 82 ASN C -75.50 -55.50 -74.05 -76.36 -70.22 0.86 19 0 "[ . 1 . 2]"
110 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 LYS N -49.20 -29.20 -28.51 -27.64 -27.87 5.91 5 1 "[ + 1 . 2]"
111 . 1 82 ASN C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -74.50 -54.50 -66.58 -67.44 -69.00 . . 0 "[ . 1 . 2]"
112 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ILE N -51.20 -31.20 -49.49 -55.27 -29.96 4.07 3 0 "[ . 1 . 2]"
113 . 1 83 LYS C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -74.40 -54.40 -65.13 -76.29 -59.91 1.89 10 0 "[ . 1 . 2]"
114 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 ALA N -55.70 -35.70 -40.81 -49.64 -35.14 0.56 11 0 "[ . 1 . 2]"
115 . 1 84 ILE C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -72.40 -52.40 -63.75 -63.91 -65.10 2.26 10 0 "[ . 1 . 2]"
116 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 ASN N -51.60 -31.60 -36.32 -38.28 -43.62 4.23 20 0 "[ . 1 . 2]"
117 . 1 85 ALA C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -74.90 -54.90 -70.54 -77.61 -56.10 2.71 14 0 "[ . 1 . 2]"
118 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 GLU N -51.20 -31.20 -40.22 -49.20 -28.68 2.52 12 0 "[ . 1 . 2]"
119 . 1 92 GLN C 1 93 SER N 1 93 SER CA 1 93 SER C -155.60 -65.40 -114.37 -140.84 -84.61 . . 0 "[ . 1 . 2]"
120 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 THR N 107.80 152.80 147.69 138.38 155.08 2.28 7 0 "[ . 1 . 2]"
121 . 1 93 SER C 1 94 THR N 1 94 THR CA 1 94 THR C -132.90 -96.90 -96.25 -107.59 -91.59 5.31 1 1 "[+ . 1 . 2]"
122 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 THR N 118.00 145.00 131.69 126.68 120.21 2.87 1 0 "[ . 1 . 2]"
123 . 1 94 THR C 1 95 THR N 1 95 THR CA 1 95 THR C -137.40 -105.40 -114.77 -104.78 -105.65 2.02 12 0 "[ . 1 . 2]"
124 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 THR N 112.10 152.50 127.40 109.47 148.41 2.63 15 0 "[ . 1 . 2]"
125 . 1 95 THR C 1 96 THR N 1 96 THR CA 1 96 THR C -132.90 -84.30 -110.47 -100.66 -109.44 2.94 13 0 "[ . 1 . 2]"
126 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 THR N 112.80 142.60 111.58 108.63 115.84 4.17 3 0 "[ . 1 . 2]"
127 . 1 96 THR C 1 97 THR N 1 97 THR CA 1 97 THR C -143.80 -95.80 -103.94 -140.70 -93.30 2.50 6 0 "[ . 1 . 2]"
128 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 ASP N 107.60 165.00 125.61 103.40 153.63 4.20 14 0 "[ . 1 . 2]"
129 . 1 101 THR C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -140.00 -77.60 -105.20 -125.82 -135.18 2.90 11 0 "[ . 1 . 2]"
130 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 GLU N 109.60 149.80 115.81 136.66 125.35 3.86 17 0 "[ . 1 . 2]"
131 . 1 102 PHE C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -141.10 -104.50 -124.75 -145.13 -103.82 4.03 8 0 "[ . 1 . 2]"
132 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 VAL N 114.90 153.90 124.39 144.09 139.00 5.51 16 1 "[ . 1 .+ 2]"
133 . 1 103 GLU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -134.00 -99.20 -121.24 -136.70 -103.32 2.70 7 0 "[ . 1 . 2]"
134 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 GLU N 110.80 144.60 110.33 104.28 102.99 7.81 1 4 "[+ *. 1* . - 2]"
135 . 1 104 VAL C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -132.40 -97.00 -98.48 -98.07 -103.87 4.00 9 0 "[ . 1 . 2]"
136 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 VAL N 116.20 139.00 119.82 113.09 134.30 3.11 4 0 "[ . 1 . 2]"
137 . 1 105 GLU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -127.10 -100.90 -98.19 -105.81 -94.12 6.78 16 1 "[ . 1 .+ 2]"
138 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ILE N 110.20 137.60 106.04 98.94 109.06 11.26 16 5 "[-* . 1 **.+ 2]"
139 . 1 106 VAL C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -121.30 -80.70 -93.05 -88.92 -91.21 . . 0 "[ . 1 . 2]"
140 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 LEU N 100.40 135.20 99.18 102.52 100.74 4.08 14 0 "[ . 1 . 2]"
141 . 1 107 ILE C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -122.80 -85.60 -99.59 -123.70 -82.00 3.60 11 0 "[ . 1 . 2]"
142 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 GLU N 104.10 143.90 101.63 95.74 129.24 8.36 6 6 "[ *+* 1 -. **]"
143 . 1 108 LEU C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -122.40 -57.80 -95.08 -110.81 -76.76 . . 0 "[ . 1 . 2]"
144 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 LEU N 86.30 144.30 91.99 92.22 89.59 5.29 10 1 "[ . + . 2]"
145 . 1 6 LEU N 1 6 LEU CA 1 6 LEU CB 1 6 LEU CG -90.00 -30.00 -65.81 -83.57 -51.09 . . 0 "[ . 1 . 2]"
146 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -90.00 -30.00 -54.68 -61.71 -44.27 . . 0 "[ . 1 . 2]"
147 . 1 12 ILE N 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 -90.00 -30.00 -54.45 -56.06 -56.15 . . 0 "[ . 1 . 2]"
148 . 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 150.00 -150.00 172.77 176.04 175.36 . . 0 "[ . 1 . 2]"
149 . 1 56 VAL N 1 56 VAL CA 1 56 VAL CB 1 56 VAL CG1 150.00 -150.00 176.22 170.57 -178.44 . . 0 "[ . 1 . 2]"
150 . 1 58 ILE N 1 58 ILE CA 1 58 ILE CB 1 58 ILE CG1 -90.00 -30.00 -62.59 -67.63 -54.76 . . 0 "[ . 1 . 2]"
151 . 1 78 LEU N 1 78 LEU CA 1 78 LEU CB 1 78 LEU CG -90.00 -30.00 -63.11 -73.67 -52.98 . . 0 "[ . 1 . 2]"
152 . 1 84 ILE N 1 84 ILE CA 1 84 ILE CB 1 84 ILE CG1 -90.00 -30.00 -59.97 -79.22 -45.23 . . 0 "[ . 1 . 2]"
153 . 1 104 VAL N 1 104 VAL CA 1 104 VAL CB 1 104 VAL CG1 150.00 -150.00 178.54 178.92 177.45 . . 0 "[ . 1 . 2]"
154 . 1 106 VAL N 1 106 VAL CA 1 106 VAL CB 1 106 VAL CG1 150.00 -150.00 -166.27 -163.41 -164.69 . . 0 "[ . 1 . 2]"
155 . 1 107 ILE N 1 107 ILE CA 1 107 ILE CB 1 107 ILE CG1 -90.00 -30.00 -56.63 -64.30 -44.39 . . 0 "[ . 1 . 2]"
156 . 1 108 LEU N 1 108 LEU CA 1 108 LEU CB 1 108 LEU CG -90.00 -30.00 -56.52 -60.68 -63.45 . . 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 156
_TA_constraint_stats_list.Viol_count 805
_TA_constraint_stats_list.Viol_total 34849.39
_TA_constraint_stats_list.Viol_max 11.47
_TA_constraint_stats_list.Viol_rms 1.27
_TA_constraint_stats_list.Viol_average_all_restraints 0.56
_TA_constraint_stats_list.Viol_average_violations_only 2.16
_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 5 GLU C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -121.50 -48.30 -87.11 -121.43 -64.81 . . 0 "[ . 1 . 2]"
2 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ARG N 102.10 158.30 100.73 98.17 97.52 6.84 3 3 "[ + - 1 .* 2]"
3 . 1 6 LEU C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -131.20 -79.00 -84.54 -89.26 -92.55 3.32 10 0 "[ . 1 . 2]"
4 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 VAL N 107.70 149.50 119.97 116.11 111.26 3.44 17 0 "[ . 1 . 2]"
5 . 1 7 ARG C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -128.10 -101.50 -111.95 -130.52 -98.70 2.80 12 0 "[ . 1 . 2]"
6 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 GLU N 110.50 139.90 127.89 106.34 143.60 4.16 17 0 "[ . 1 . 2]"
7 . 1 8 VAL C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -116.10 -79.90 -112.99 -112.41 -113.79 3.15 15 0 "[ . 1 . 2]"
8 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ILE N 98.70 137.70 97.72 91.22 103.80 7.48 8 3 "[ * . +-1 . 2]"
9 . 1 9 GLU C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -123.50 -95.10 -92.13 -94.91 -89.21 5.89 11 2 "[ .- 1+ . 2]"
10 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 LYS N 116.50 138.50 113.56 105.03 127.52 11.47 19 4 "[ . -*1* . +2]"
11 . 1 10 ILE C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -128.50 -95.50 -105.95 -97.05 -101.07 3.74 14 0 "[ . 1 . 2]"
12 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 ILE N 114.30 143.90 121.11 109.03 141.43 5.27 2 1 "[ + . 1 . 2]"
13 . 1 11 LYS C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -131.50 -96.90 -101.59 -98.19 -101.19 1.78 14 0 "[ . 1 . 2]"
14 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 ASP N 114.50 142.30 120.28 108.99 137.38 5.51 2 1 "[ + . 1 . 2]"
15 . 1 12 ILE C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -133.00 -91.60 -103.67 -124.90 -88.06 3.54 11 0 "[ . 1 . 2]"
16 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 CYS N 102.80 141.20 107.64 105.58 104.42 5.76 12 1 "[ . 1 + . 2]"
17 . 1 19 LYS C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -89.50 -60.50 -67.93 -84.25 -56.68 3.82 13 0 "[ . 1 . 2]"
18 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 THR N 119.80 146.80 129.11 135.97 131.10 6.22 15 2 "[ . 1 -+ 2]"
19 . 1 20 GLU C 1 21 THR N 1 21 THR CA 1 21 THR C -136.00 -84.00 -114.58 -132.98 -81.27 2.73 11 0 "[ . 1 . 2]"
20 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 THR N 107.80 158.80 111.67 113.75 108.59 4.62 12 0 "[ . 1 . 2]"
21 . 1 21 THR C 1 22 THR N 1 22 THR CA 1 22 THR C -134.50 -87.90 -119.72 -136.30 -87.04 1.80 3 0 "[ . 1 . 2]"
22 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 TYR N 114.80 150.80 134.42 130.04 126.90 2.16 16 0 "[ . 1 . 2]"
23 . 1 22 THR C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -149.10 -107.50 -107.91 -106.67 -107.54 4.82 15 0 "[ . 1 . 2]"
24 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 ASP N 128.50 161.70 127.20 119.66 142.65 8.84 17 1 "[ . 1 . + 2]"
25 . 1 23 TYR C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -114.00 -74.40 -98.91 -111.54 -77.08 . . 0 "[ . 1 . 2]"
26 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 LEU N 99.60 141.00 109.84 97.39 140.04 2.21 4 0 "[ . 1 . 2]"
27 . 1 30 ALA C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -73.80 -53.80 -64.72 -66.39 -67.11 0.39 14 0 "[ . 1 . 2]"
28 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 GLU N -51.30 -29.50 -41.62 -54.88 -25.55 3.95 10 0 "[ . 1 . 2]"
29 . 1 31 GLU C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -76.70 -56.70 -65.67 -81.46 -52.14 4.76 6 0 "[ . 1 . 2]"
30 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ALA N -50.20 -30.00 -41.70 -39.51 -40.65 0.93 16 0 "[ . 1 . 2]"
31 . 1 32 GLU C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -75.20 -55.20 -58.81 -73.66 -53.37 1.83 5 0 "[ . 1 . 2]"
32 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 LYS N -49.00 -29.00 -40.38 -42.73 -42.98 5.87 15 1 "[ . 1 + 2]"
33 . 1 33 ALA C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -75.00 -55.00 -64.18 -68.96 -53.72 1.28 15 0 "[ . 1 . 2]"
34 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 GLU N -51.40 -31.40 -32.16 -39.69 -26.97 4.43 19 0 "[ . 1 . 2]"
35 . 1 34 LYS C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -75.70 -55.70 -70.19 -69.93 -71.06 0.80 19 0 "[ . 1 . 2]"
36 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 LEU N -50.60 -30.60 -44.57 -44.38 -48.61 1.63 19 0 "[ . 1 . 2]"
37 . 1 35 GLU C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -74.90 -54.90 -64.21 -70.13 -56.36 . . 0 "[ . 1 . 2]"
38 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LEU N -53.00 -33.00 -32.13 -37.68 -29.20 3.80 8 0 "[ . 1 . 2]"
39 . 1 36 LEU C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -72.00 -52.00 -58.38 -64.18 -52.92 . . 0 "[ . 1 . 2]"
40 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 LYS N -53.10 -33.10 -47.60 -49.89 -51.30 0.34 5 0 "[ . 1 . 2]"
41 . 1 37 LEU C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -75.30 -55.30 -64.39 -67.74 -70.11 . . 0 "[ . 1 . 2]"
42 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 LYS N -51.10 -31.10 -41.30 -51.68 -29.02 2.08 5 0 "[ . 1 . 2]"
43 . 1 38 LYS C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -77.00 -57.00 -64.31 -74.09 -56.21 0.79 15 0 "[ . 1 . 2]"
44 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 VAL N -51.60 -31.60 -49.07 -51.42 -52.63 5.16 19 1 "[ . 1 . +2]"
45 . 1 39 LYS C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -73.80 -53.80 -63.99 -64.59 -65.77 . . 0 "[ . 1 . 2]"
46 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 ALA N -54.20 -34.20 -40.00 -50.97 -31.83 2.37 12 0 "[ . 1 . 2]"
47 . 1 40 VAL C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -72.70 -52.70 -62.91 -63.26 -64.77 . . 0 "[ . 1 . 2]"
48 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 GLU N -52.80 -32.80 -41.54 -54.31 -30.93 1.87 15 0 "[ . 1 . 2]"
49 . 1 41 ALA C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -73.90 -53.90 -72.82 -67.53 -69.51 4.32 10 0 "[ . 1 . 2]"
50 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 LYS N -53.70 -33.70 -42.77 -45.96 -50.24 2.44 10 0 "[ . 1 . 2]"
51 . 1 42 GLU C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -76.40 -56.40 -69.96 -77.12 -60.32 0.72 9 0 "[ . 1 . 2]"
52 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 ALA N -50.90 -30.90 -36.61 -53.94 -29.96 3.04 12 0 "[ . 1 . 2]"
53 . 1 43 LYS C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -76.00 -56.00 -69.07 -75.59 -57.05 . . 0 "[ . 1 . 2]"
54 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 ALA N -51.40 -31.40 -41.30 -44.39 -45.51 3.23 10 0 "[ . 1 . 2]"
55 . 1 44 ALA C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -73.40 -53.40 -61.76 -56.59 -57.34 . . 0 "[ . 1 . 2]"
56 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 ASP N -50.60 -30.60 -31.67 -30.31 -30.62 2.24 20 0 "[ . 1 . 2]"
57 . 1 45 ALA C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -74.40 -54.40 -64.50 -62.78 -65.04 0.01 6 0 "[ . 1 . 2]"
58 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 LYS N -54.40 -34.40 -41.60 -53.54 -31.33 3.07 10 0 "[ . 1 . 2]"
59 . 1 46 ASP C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -75.00 -55.00 -66.85 -67.16 -69.22 1.02 16 0 "[ . 1 . 2]"
60 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ILE N -51.40 -31.40 -36.26 -31.34 -34.31 2.54 16 0 "[ . 1 . 2]"
61 . 1 47 LYS C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -72.60 -52.60 -68.89 -74.10 -61.73 1.50 9 0 "[ . 1 . 2]"
62 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LYS N -54.30 -34.30 -35.34 -45.83 -29.21 5.09 1 1 "[+ . 1 . 2]"
63 . 1 48 ILE C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -72.70 -52.70 -64.81 -74.18 -51.84 1.48 8 0 "[ . 1 . 2]"
64 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -50.40 -30.40 -37.04 -34.68 -38.21 3.82 8 0 "[ . 1 . 2]"
65 . 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -90.50 -49.10 -74.98 -81.85 -84.69 0.72 1 0 "[ . 1 . 2]"
66 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLN N -48.90 -12.50 -41.16 -44.19 -46.97 3.60 1 0 "[ . 1 . 2]"
67 . 1 54 LYS C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -160.00 -110.40 -137.36 -157.56 -108.33 2.07 18 0 "[ . 1 . 2]"
68 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 VAL N 117.90 155.70 121.23 120.70 119.49 7.12 18 2 "[ . 1 - + 2]"
69 . 1 55 ARG C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -141.80 -111.60 -116.42 -115.35 -122.16 4.27 19 0 "[ . 1 . 2]"
70 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LYS N 122.90 145.50 135.95 142.24 141.15 9.15 14 3 "[ . 1 +-* 2]"
71 . 1 56 VAL C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -141.60 -97.80 -120.63 -125.67 -128.76 2.42 16 0 "[ . 1 . 2]"
72 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ILE N 115.50 147.10 121.12 112.47 146.93 3.03 20 0 "[ . 1 . 2]"
73 . 1 57 LYS C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -139.50 -103.10 -105.65 -101.99 -102.44 5.63 15 2 "[ . - 1 + 2]"
74 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 ARG N 115.80 150.60 114.65 110.58 126.56 5.22 16 1 "[ . 1 .+ 2]"
75 . 1 58 ILE C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -147.60 -111.60 -115.80 -111.42 -112.23 1.52 2 0 "[ . 1 . 2]"
76 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 PHE N 129.00 169.40 140.48 142.88 140.92 1.69 17 0 "[ . 1 . 2]"
77 . 1 59 ARG C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -166.50 -137.50 -152.95 -160.11 -135.12 2.38 7 0 "[ . 1 . 2]"
78 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 GLU N 140.00 172.00 140.17 137.90 137.37 7.60 11 1 "[ . 1+ . 2]"
79 . 1 60 PHE C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -105.50 -53.10 -85.75 -90.93 -94.40 4.49 7 0 "[ . 1 . 2]"
80 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 LYS N 104.20 170.40 124.45 101.78 155.22 2.42 4 0 "[ . 1 . 2]"
81 . 1 67 ASP C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -77.00 -57.00 -67.64 -63.04 -64.62 1.22 17 0 "[ . 1 . 2]"
82 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 ALA N -54.00 -34.00 -48.06 -55.96 -33.77 1.96 2 0 "[ . 1 . 2]"
83 . 1 68 ASP C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -77.20 -57.20 -62.65 -71.68 -55.85 1.35 17 0 "[ . 1 . 2]"
84 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ARG N -52.30 -31.90 -33.73 -35.98 -37.90 2.47 16 0 "[ . 1 . 2]"
85 . 1 69 ALA C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -71.80 -51.80 -63.37 -59.76 -61.31 0.46 11 0 "[ . 1 . 2]"
86 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 LYS N -54.00 -34.00 -46.15 -52.66 -35.69 . . 0 "[ . 1 . 2]"
87 . 1 70 ARG C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -74.30 -54.30 -69.25 -74.88 -61.29 0.58 13 0 "[ . 1 . 2]"
88 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 LYS N -53.20 -33.20 -39.59 -49.59 -31.76 1.44 12 0 "[ . 1 . 2]"
89 . 1 71 LYS C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -75.20 -55.20 -68.06 -58.54 -62.49 2.09 10 0 "[ . 1 . 2]"
90 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 ALA N -51.40 -31.40 -41.50 -52.27 -52.67 2.14 10 0 "[ . 1 . 2]"
91 . 1 72 LYS C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -75.10 -55.10 -70.37 -68.69 -70.24 1.12 8 0 "[ . 1 . 2]"
92 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 LYS N -50.80 -30.80 -34.86 -48.04 -28.46 2.34 10 0 "[ . 1 . 2]"
93 . 1 73 ALA C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -72.90 -52.90 -64.02 -70.31 -55.79 . . 0 "[ . 1 . 2]"
94 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 LYS N -53.50 -33.50 -50.37 -56.23 -40.73 2.73 13 0 "[ . 1 . 2]"
95 . 1 74 LYS C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -74.60 -54.60 -64.78 -63.41 -63.87 . . 0 "[ . 1 . 2]"
96 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 TRP N -51.20 -31.20 -39.70 -34.73 -36.13 0.63 7 0 "[ . 1 . 2]"
97 . 1 75 LYS C 1 76 TRP N 1 76 TRP CA 1 76 TRP C -73.20 -53.20 -58.46 -64.03 -53.14 0.06 9 0 "[ . 1 . 2]"
98 . 1 76 TRP N 1 76 TRP CA 1 76 TRP C 1 77 ALA N -55.50 -35.50 -52.57 -58.05 -46.56 2.55 14 0 "[ . 1 . 2]"
99 . 1 76 TRP C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -72.10 -52.10 -63.05 -71.08 -57.36 . . 0 "[ . 1 . 2]"
100 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 LEU N -51.70 -31.70 -31.98 -38.73 -28.79 2.91 3 0 "[ . 1 . 2]"
101 . 1 77 ALA C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -76.80 -56.80 -69.91 -68.56 -70.52 1.13 6 0 "[ . 1 . 2]"
102 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLU N -48.40 -25.80 -44.20 -47.53 -50.39 2.73 7 0 "[ . 1 . 2]"
103 . 1 78 LEU C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -75.50 -55.50 -67.14 -73.00 -60.82 . . 0 "[ . 1 . 2]"
104 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 VAL N -49.80 -29.80 -38.36 -32.97 -36.59 1.26 18 0 "[ . 1 . 2]"
105 . 1 79 GLU C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -74.50 -54.50 -63.49 -64.11 -65.12 0.36 3 0 "[ . 1 . 2]"
106 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 ALA N -53.50 -33.50 -45.39 -53.75 -34.95 0.25 2 0 "[ . 1 . 2]"
107 . 1 80 VAL C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -72.80 -52.80 -58.95 -62.66 -66.70 . . 0 "[ . 1 . 2]"
108 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 ASN N -51.40 -31.40 -45.78 -51.54 -38.83 0.14 14 0 "[ . 1 . 2]"
109 . 1 81 ALA C 1 82 ASN N 1 82 ASN CA 1 82 ASN C -75.50 -55.50 -74.05 -76.36 -70.22 0.86 19 0 "[ . 1 . 2]"
110 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 LYS N -49.20 -29.20 -28.51 -27.64 -27.87 5.91 5 1 "[ + 1 . 2]"
111 . 1 82 ASN C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -74.50 -54.50 -66.58 -67.44 -69.00 . . 0 "[ . 1 . 2]"
112 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ILE N -51.20 -31.20 -49.49 -55.27 -29.96 4.07 3 0 "[ . 1 . 2]"
113 . 1 83 LYS C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -74.40 -54.40 -65.13 -76.29 -59.91 1.89 10 0 "[ . 1 . 2]"
114 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 ALA N -55.70 -35.70 -40.81 -49.64 -35.14 0.56 11 0 "[ . 1 . 2]"
115 . 1 84 ILE C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -72.40 -52.40 -63.75 -63.91 -65.10 2.26 10 0 "[ . 1 . 2]"
116 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 ASN N -51.60 -31.60 -36.32 -38.28 -43.62 4.23 20 0 "[ . 1 . 2]"
117 . 1 85 ALA C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -74.90 -54.90 -70.54 -77.61 -56.10 2.71 14 0 "[ . 1 . 2]"
118 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 GLU N -51.20 -31.20 -40.22 -49.20 -28.68 2.52 12 0 "[ . 1 . 2]"
119 . 1 92 GLN C 1 93 SER N 1 93 SER CA 1 93 SER C -155.60 -65.40 -114.37 -140.84 -84.61 . . 0 "[ . 1 . 2]"
120 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 THR N 107.80 152.80 147.69 138.38 155.08 2.28 7 0 "[ . 1 . 2]"
121 . 1 93 SER C 1 94 THR N 1 94 THR CA 1 94 THR C -132.90 -96.90 -96.25 -107.59 -91.59 5.31 1 1 "[+ . 1 . 2]"
122 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 THR N 118.00 145.00 131.69 126.68 120.21 2.87 1 0 "[ . 1 . 2]"
123 . 1 94 THR C 1 95 THR N 1 95 THR CA 1 95 THR C -137.40 -105.40 -114.77 -104.78 -105.65 2.02 12 0 "[ . 1 . 2]"
124 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 THR N 112.10 152.50 127.40 109.47 148.41 2.63 15 0 "[ . 1 . 2]"
125 . 1 95 THR C 1 96 THR N 1 96 THR CA 1 96 THR C -132.90 -84.30 -110.47 -100.66 -109.44 2.94 13 0 "[ . 1 . 2]"
126 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 THR N 112.80 142.60 111.58 108.63 115.84 4.17 3 0 "[ . 1 . 2]"
127 . 1 96 THR C 1 97 THR N 1 97 THR CA 1 97 THR C -143.80 -95.80 -103.94 -140.70 -93.30 2.50 6 0 "[ . 1 . 2]"
128 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 ASP N 107.60 165.00 125.61 103.40 153.63 4.20 14 0 "[ . 1 . 2]"
129 . 1 101 THR C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -140.00 -77.60 -105.20 -125.82 -135.18 2.90 11 0 "[ . 1 . 2]"
130 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 GLU N 109.60 149.80 115.81 136.66 125.35 3.86 17 0 "[ . 1 . 2]"
131 . 1 102 PHE C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -141.10 -104.50 -124.75 -145.13 -103.82 4.03 8 0 "[ . 1 . 2]"
132 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 VAL N 114.90 153.90 124.39 144.09 139.00 5.51 16 1 "[ . 1 .+ 2]"
133 . 1 103 GLU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -134.00 -99.20 -121.24 -136.70 -103.32 2.70 7 0 "[ . 1 . 2]"
134 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 GLU N 110.80 144.60 110.33 104.28 102.99 7.81 1 4 "[+ *. 1* . - 2]"
135 . 1 104 VAL C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -132.40 -97.00 -98.48 -98.07 -103.87 4.00 9 0 "[ . 1 . 2]"
136 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 VAL N 116.20 139.00 119.82 113.09 134.30 3.11 4 0 "[ . 1 . 2]"
137 . 1 105 GLU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -127.10 -100.90 -98.19 -105.81 -94.12 6.78 16 1 "[ . 1 .+ 2]"
138 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ILE N 110.20 137.60 106.04 98.94 109.06 11.26 16 5 "[-* . 1 **.+ 2]"
139 . 1 106 VAL C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -121.30 -80.70 -93.05 -88.92 -91.21 . . 0 "[ . 1 . 2]"
140 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 LEU N 100.40 135.20 99.18 102.52 100.74 4.08 14 0 "[ . 1 . 2]"
141 . 1 107 ILE C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -122.80 -85.60 -99.59 -123.70 -82.00 3.60 11 0 "[ . 1 . 2]"
142 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 GLU N 104.10 143.90 101.63 95.74 129.24 8.36 6 6 "[ *+* 1 -. **]"
143 . 1 108 LEU C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -122.40 -57.80 -95.08 -110.81 -76.76 . . 0 "[ . 1 . 2]"
144 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 LEU N 86.30 144.30 91.99 92.22 89.59 5.29 10 1 "[ . + . 2]"
145 . 1 6 LEU N 1 6 LEU CA 1 6 LEU CB 1 6 LEU CG -90.00 -30.00 -65.81 -83.57 -51.09 . . 0 "[ . 1 . 2]"
146 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -90.00 -30.00 -54.68 -61.71 -44.27 . . 0 "[ . 1 . 2]"
147 . 1 12 ILE N 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 -90.00 -30.00 -54.45 -56.06 -56.15 . . 0 "[ . 1 . 2]"
148 . 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 150.00 -150.00 172.77 176.04 175.36 . . 0 "[ . 1 . 2]"
149 . 1 56 VAL N 1 56 VAL CA 1 56 VAL CB 1 56 VAL CG1 150.00 -150.00 176.22 170.57 -178.44 . . 0 "[ . 1 . 2]"
150 . 1 58 ILE N 1 58 ILE CA 1 58 ILE CB 1 58 ILE CG1 -90.00 -30.00 -62.59 -67.63 -54.76 . . 0 "[ . 1 . 2]"
151 . 1 78 LEU N 1 78 LEU CA 1 78 LEU CB 1 78 LEU CG -90.00 -30.00 -63.11 -73.67 -52.98 . . 0 "[ . 1 . 2]"
152 . 1 84 ILE N 1 84 ILE CA 1 84 ILE CB 1 84 ILE CG1 -90.00 -30.00 -59.97 -79.22 -45.23 . . 0 "[ . 1 . 2]"
153 . 1 104 VAL N 1 104 VAL CA 1 104 VAL CB 1 104 VAL CG1 150.00 -150.00 178.54 178.92 177.45 . . 0 "[ . 1 . 2]"
154 . 1 106 VAL N 1 106 VAL CA 1 106 VAL CB 1 106 VAL CG1 150.00 -150.00 -166.27 -163.41 -164.69 . . 0 "[ . 1 . 2]"
155 . 1 107 ILE N 1 107 ILE CA 1 107 ILE CB 1 107 ILE CG1 -90.00 -30.00 -56.63 -64.30 -44.39 . . 0 "[ . 1 . 2]"
156 . 1 108 LEU N 1 108 LEU CA 1 108 LEU CB 1 108 LEU CG -90.00 -30.00 -56.52 -60.68 -63.45 . . 0 "[ . 1 . 2]"
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 6:09:04 PM GMT (wattos1)