NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645948 |
6tr8   |
28052 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6tr8
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 165
_TA_constraint_stats_list.Viol_count 580
_TA_constraint_stats_list.Viol_total 21364.32
_TA_constraint_stats_list.Viol_max 7.82
_TA_constraint_stats_list.Viol_rms 0.91
_TA_constraint_stats_list.Viol_average_all_restraints 0.32
_TA_constraint_stats_list.Viol_average_violations_only 1.84
_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 23 ASN C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -78.70 -39.10 -80.37 -82.39 -78.56 3.69 10 0 "[ . 1 . 2]"
2 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 LYS N -58.80 -5.60 -12.39 -13.08 -13.69 . . 0 "[ . 1 . 2]"
3 . 1 24 PHE C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -80.30 -51.30 -65.14 -64.60 -64.70 . . 0 "[ . 1 . 2]"
4 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 LEU N -44.00 -8.80 -34.57 -37.49 -26.71 . . 0 "[ . 1 . 2]"
5 . 1 25 LYS C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -131.90 -58.70 -73.48 -71.76 -73.54 . . 0 "[ . 1 . 2]"
6 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 ILE N -30.30 36.10 -13.15 -19.80 -4.91 . . 0 "[ . 1 . 2]"
7 . 1 26 LEU C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -122.40 -35.40 -61.37 -61.14 -61.46 . . 0 "[ . 1 . 2]"
8 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 THR N 99.90 -176.90 142.54 141.01 144.64 . . 0 "[ . 1 . 2]"
9 . 1 27 ILE C 1 28 THR N 1 28 THR CA 1 28 THR C -121.30 -48.90 -83.78 -89.79 -81.03 . . 0 "[ . 1 . 2]"
10 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 ASP N 143.00 -177.20 165.02 164.00 163.32 . . 0 "[ . 1 . 2]"
11 . 1 28 THR C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -71.20 -48.20 -62.75 -65.99 -61.26 . . 0 "[ . 1 . 2]"
12 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 THR N -49.60 -26.40 -40.20 -39.58 -39.73 . . 0 "[ . 1 . 2]"
13 . 1 29 ASP C 1 30 THR N 1 30 THR CA 1 30 THR C -76.60 -52.20 -62.68 -64.89 -61.15 . . 0 "[ . 1 . 2]"
14 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 GLU N -51.40 -31.40 -44.82 -44.08 -44.17 . . 0 "[ . 1 . 2]"
15 . 1 30 THR C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -75.60 -55.60 -59.96 -60.45 -59.41 . . 0 "[ . 1 . 2]"
16 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 TRP N -54.40 -30.80 -39.11 -39.70 -39.77 . . 0 "[ . 1 . 2]"
17 . 1 31 GLU C 1 32 TRP N 1 32 TRP CA 1 32 TRP C -72.30 -52.30 -63.64 -63.78 -63.86 . . 0 "[ . 1 . 2]"
18 . 1 32 TRP N 1 32 TRP CA 1 32 TRP C 1 33 ARG N -55.00 -35.00 -39.99 -39.47 -39.73 . . 0 "[ . 1 . 2]"
19 . 1 32 TRP C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -76.60 -52.40 -64.52 -65.79 -63.87 . . 0 "[ . 1 . 2]"
20 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 GLN N -50.90 -17.70 -41.19 -42.66 -40.38 . . 0 "[ . 1 . 2]"
21 . 1 33 ARG C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -94.00 -52.40 -87.42 -90.31 -90.95 . . 0 "[ . 1 . 2]"
22 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 ARG N -66.10 16.10 -3.71 -24.14 16.06 . . 0 "[ . 1 . 2]"
23 . 1 34 GLN C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -135.40 -55.20 -88.52 -104.45 -105.40 . . 0 "[ . 1 . 2]"
24 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 LEU N -57.60 20.60 -41.44 -39.94 -40.05 . . 0 "[ . 1 . 2]"
25 . 1 35 ARG C 1 36 LEU N 1 36 LEU CA 1 36 LEU C 172.80 -81.60 -138.08 -141.15 -132.34 . . 0 "[ . 1 . 2]"
26 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 SER N 110.70 175.90 177.12 176.86 176.58 2.25 7 0 "[ . 1 . 2]"
27 . 1 36 LEU C 1 37 SER N 1 37 SER CA 1 37 SER C -100.50 -57.90 -59.49 -63.99 -56.88 1.02 7 0 "[ . 1 . 2]"
28 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 SER N 116.80 -167.80 155.62 152.07 159.55 . . 0 "[ . 1 . 2]"
29 . 1 37 SER C 1 38 SER N 1 38 SER CA 1 38 SER C -110.90 -24.70 -59.62 -59.80 -59.88 . . 0 "[ . 1 . 2]"
30 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 GLU N -65.60 9.80 -39.94 -40.07 -40.38 . . 0 "[ . 1 . 2]"
31 . 1 38 SER C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -74.60 -53.20 -64.95 -65.55 -66.17 . . 0 "[ . 1 . 2]"
32 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 GLU N -53.30 -33.30 -43.79 -51.04 -39.62 . . 0 "[ . 1 . 2]"
33 . 1 39 GLU C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -74.10 -54.10 -60.17 -62.89 -57.06 . . 0 "[ . 1 . 2]"
34 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 TYR N -56.00 -24.20 -36.66 -34.98 -35.91 . . 0 "[ . 1 . 2]"
35 . 1 40 GLU C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -71.80 -51.80 -59.85 -60.75 -58.74 . . 0 "[ . 1 . 2]"
36 . 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 ARG N -54.80 -34.40 -51.89 -52.13 -52.23 . . 0 "[ . 1 . 2]"
37 . 1 41 TYR C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -72.20 -50.00 -74.15 -74.52 -74.58 2.98 18 0 "[ . 1 . 2]"
38 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 VAL N -56.80 -32.00 -38.83 -40.19 -40.64 1.44 6 0 "[ . 1 . 2]"
39 . 1 42 ARG C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -100.90 -36.30 -62.06 -61.84 -62.07 . . 0 "[ . 1 . 2]"
40 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 LEU N -60.00 -32.20 -45.31 -48.43 -35.12 . . 0 "[ . 1 . 2]"
41 . 1 43 VAL C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -81.80 -42.60 -75.34 -84.36 -70.11 2.56 6 0 "[ . 1 . 2]"
42 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ARG N -49.70 -9.50 -27.39 -36.78 -36.86 0.19 6 0 "[ . 1 . 2]"
43 . 1 44 LEU C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -135.90 -45.90 -74.47 -63.82 -64.13 . . 0 "[ . 1 . 2]"
44 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 GLU N -79.60 40.00 -51.05 -50.35 -50.47 . . 0 "[ . 1 . 2]"
45 . 1 45 ARG C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -132.20 -69.00 -134.73 -135.79 -135.84 4.94 4 0 "[ . 1 . 2]"
46 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ALA N -23.50 32.30 23.70 20.63 20.48 0.03 6 0 "[ . 1 . 2]"
47 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 ALA N 64.70 -159.70 62.98 62.80 62.35 3.80 8 0 "[ . 1 . 2]"
48 . 1 50 GLU C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -96.70 -49.90 -98.39 -99.65 -96.25 2.95 16 0 "[ . 1 . 2]"
49 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 PRO N 117.20 171.40 115.20 113.88 116.45 3.32 10 0 "[ . 1 . 2]"
50 . 1 52 PRO C 1 53 HIS N 1 53 HIS CA 1 53 HIS C 46.70 71.90 60.89 59.57 62.17 . . 0 "[ . 1 . 2]"
51 . 1 53 HIS N 1 53 HIS CA 1 53 HIS C 1 54 THR N 1.50 53.30 36.63 39.12 38.32 . . 0 "[ . 1 . 2]"
52 . 1 53 HIS C 1 54 THR N 1 54 THR CA 1 54 THR C -156.70 -75.70 -114.08 -111.11 -111.92 . . 0 "[ . 1 . 2]"
53 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 GLY N -50.40 58.00 12.97 16.62 13.81 . . 0 "[ . 1 . 2]"
54 . 1 55 GLY C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -82.50 -39.30 -72.19 -71.49 -73.28 0.85 13 0 "[ . 1 . 2]"
55 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 TYR N -51.60 -21.40 -24.86 -32.66 -21.02 0.38 16 0 "[ . 1 . 2]"
56 . 1 56 GLU C 1 57 TYR N 1 57 TYR CA 1 57 TYR C -123.40 -77.00 -80.92 -94.02 -74.02 2.98 14 0 "[ . 1 . 2]"
57 . 1 57 TYR N 1 57 TYR CA 1 57 TYR C 1 58 THR N -57.20 56.00 1.05 -12.30 -18.95 0.64 5 0 "[ . 1 . 2]"
58 . 1 61 THR C 1 62 THR N 1 62 THR CA 1 62 THR C -125.90 -46.70 -97.79 -126.83 -57.00 0.93 2 0 "[ . 1 . 2]"
59 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 GLU N 113.20 155.80 144.10 145.12 143.85 . . 0 "[ . 1 . 2]"
60 . 1 64 GLY C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -151.90 -89.50 -122.74 -117.64 -120.41 . . 0 "[ . 1 . 2]"
61 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 TYR N 123.50 171.90 134.02 133.64 133.36 . . 0 "[ . 1 . 2]"
62 . 1 65 ILE C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -146.90 -70.50 -73.71 -70.42 -71.49 2.11 10 0 "[ . 1 . 2]"
63 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 SER N 106.60 147.00 138.73 127.37 145.77 . . 0 "[ . 1 . 2]"
64 . 1 66 TYR C 1 67 SER N 1 67 SER CA 1 67 SER C -150.20 -73.80 -136.88 -138.16 -139.29 . . 0 "[ . 1 . 2]"
65 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 CYS N 126.50 157.90 127.20 125.58 131.76 0.92 19 0 "[ . 1 . 2]"
66 . 1 69 ARG C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -107.50 -26.30 -62.59 -65.89 -60.06 . . 0 "[ . 1 . 2]"
67 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 CYS N -66.60 -5.60 -49.40 -50.07 -50.28 . . 0 "[ . 1 . 2]"
68 . 1 70 ALA C 1 71 CYS N 1 71 CYS CA 1 71 CYS C -117.70 -83.10 -119.79 -119.88 -120.29 3.37 14 0 "[ . 1 . 2]"
69 . 1 71 CYS N 1 71 CYS CA 1 71 CYS C 1 72 GLY N -36.60 22.20 -37.78 -37.36 -37.44 2.16 5 0 "[ . 1 . 2]"
70 . 1 73 THR C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -124.30 -34.70 -77.14 -78.09 -79.86 . . 0 "[ . 1 . 2]"
71 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 PHE N -71.20 7.40 -42.99 -44.19 -45.06 . . 0 "[ . 1 . 2]"
72 . 1 75 LEU C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -158.00 -109.40 -143.31 -149.45 -137.56 . . 0 "[ . 1 . 2]"
73 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 ARG N 116.20 179.40 164.35 161.84 157.10 . . 0 "[ . 1 . 2]"
74 . 1 76 PHE C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -163.60 -121.20 -136.00 -151.73 -121.02 0.18 13 0 "[ . 1 . 2]"
75 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 SER N 100.90 165.10 157.00 155.57 153.91 0.08 19 0 "[ . 1 . 2]"
76 . 1 78 SER C 1 79 THR N 1 79 THR CA 1 79 THR C -95.50 -48.90 -73.30 -93.85 -52.61 . . 0 "[ . 1 . 2]"
77 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 GLU N -52.70 4.90 -32.69 -37.74 -41.80 . . 0 "[ . 1 . 2]"
78 . 1 79 THR C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -124.60 -54.00 -107.92 -125.63 -92.01 1.03 17 0 "[ . 1 . 2]"
79 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 LYS N -54.80 44.40 12.51 21.95 18.94 . . 0 "[ . 1 . 2]"
80 . 1 89 PRO C 1 90 SER N 1 90 SER CA 1 90 SER C -166.60 -74.00 -87.45 -96.55 -107.85 1.00 14 0 "[ . 1 . 2]"
81 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 PHE N 131.90 176.90 153.23 139.00 163.32 . . 0 "[ . 1 . 2]"
82 . 1 90 SER C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -158.10 -121.50 -135.16 -121.68 -127.04 . . 0 "[ . 1 . 2]"
83 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 PHE N 132.90 -178.90 164.57 175.48 172.56 . . 0 "[ . 1 . 2]"
84 . 1 91 PHE C 1 92 PHE N 1 92 PHE CA 1 92 PHE C 159.40 -82.00 -95.64 -119.40 -84.39 . . 0 "[ . 1 . 2]"
85 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 SER N 135.20 -163.60 -167.55 -175.85 -160.59 3.01 20 0 "[ . 1 . 2]"
86 . 1 94 PRO C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -111.80 -34.20 -44.71 -50.33 -33.86 0.34 13 0 "[ . 1 . 2]"
87 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 ALA N -62.00 -7.60 -63.10 -62.44 -62.71 1.99 19 0 "[ . 1 . 2]"
88 . 1 96 ALA C 1 97 GLY N 1 97 GLY CA 1 97 GLY C 47.50 90.70 76.52 71.66 79.85 . . 0 "[ . 1 . 2]"
89 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 ASP N -7.90 62.10 6.12 6.98 3.83 . . 0 "[ . 1 . 2]"
90 . 1 97 GLY C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -101.60 -53.00 -92.23 -99.45 -85.18 . . 0 "[ . 1 . 2]"
91 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 LYS N -43.40 -1.60 -28.50 -31.18 -25.82 . . 0 "[ . 1 . 2]"
92 . 1 99 LYS C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -160.50 -92.10 -137.46 -139.80 -135.15 . . 0 "[ . 1 . 2]"
93 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 ILE N 119.00 -161.80 148.83 145.70 150.45 . . 0 "[ . 1 . 2]"
94 . 1 100 VAL C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -136.90 -86.10 -121.72 -122.63 -123.05 . . 0 "[ . 1 . 2]"
95 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 GLU N 101.30 174.90 136.78 135.27 133.71 . . 0 "[ . 1 . 2]"
96 . 1 101 ILE C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -151.90 -77.10 -113.53 -130.34 -107.04 . . 0 "[ . 1 . 2]"
97 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 ARG N 101.60 160.40 123.17 127.21 126.64 . . 0 "[ . 1 . 2]"
98 . 1 102 GLU C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -149.50 -94.50 -138.65 -148.62 -129.27 . . 0 "[ . 1 . 2]"
99 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 THR N 108.30 154.10 151.81 154.21 153.13 1.18 19 0 "[ . 1 . 2]"
100 . 1 103 ARG C 1 104 THR N 1 104 THR CA 1 104 THR C -103.40 -52.20 -91.82 -96.63 -100.22 0.58 17 0 "[ . 1 . 2]"
101 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ASP N 112.00 150.00 146.84 142.52 150.33 0.33 20 0 "[ . 1 . 2]"
102 . 1 104 THR C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -130.80 -80.20 -130.29 -133.26 -124.96 2.46 6 0 "[ . 1 . 2]"
103 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 THR N 117.80 152.60 116.95 113.72 122.74 4.08 17 0 "[ . 1 . 2]"
104 . 1 105 ASP C 1 106 THR N 1 106 THR CA 1 106 THR C -164.50 -63.90 -80.97 -79.48 -82.08 . . 0 "[ . 1 . 2]"
105 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 SER N 72.00 178.00 72.18 70.89 70.87 2.51 8 0 "[ . 1 . 2]"
106 . 1 109 GLY C 1 110 MET N 1 110 MET CA 1 110 MET C -149.10 -56.70 -112.15 -87.49 -96.20 0.10 9 0 "[ . 1 . 2]"
107 . 1 110 MET N 1 110 MET CA 1 110 MET C 1 111 VAL N 81.70 -153.10 164.50 163.45 160.65 . . 0 "[ . 1 . 2]"
108 . 1 110 MET C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -111.70 -58.30 -112.68 -113.69 -113.74 2.57 9 0 "[ . 1 . 2]"
109 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 ARG N 113.60 163.00 151.45 134.05 161.52 . . 0 "[ . 1 . 2]"
110 . 1 111 VAL C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -146.30 -90.70 -135.26 -139.01 -130.22 . . 0 "[ . 1 . 2]"
111 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 THR N 119.90 155.90 144.00 142.92 142.03 0.19 15 0 "[ . 1 . 2]"
112 . 1 112 ARG C 1 113 THR N 1 113 THR CA 1 113 THR C -136.50 -76.90 -89.04 -101.76 -82.69 . . 0 "[ . 1 . 2]"
113 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 GLU N 109.50 140.30 110.41 111.90 109.53 1.47 12 0 "[ . 1 . 2]"
114 . 1 113 THR C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -144.10 -42.50 -87.14 -96.67 -79.33 . . 0 "[ . 1 . 2]"
115 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 VAL N 87.40 177.80 135.28 122.19 148.76 . . 0 "[ . 1 . 2]"
116 . 1 114 GLU C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -148.30 -84.30 -97.68 -96.29 -97.43 . . 0 "[ . 1 . 2]"
117 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 ILE N 98.50 -179.50 122.79 119.03 124.97 . . 0 "[ . 1 . 2]"
118 . 1 115 VAL C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -146.70 -107.90 -127.89 -130.29 -123.91 . . 0 "[ . 1 . 2]"
119 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 CYS N 124.20 156.00 159.39 159.79 159.58 4.40 9 0 "[ . 1 . 2]"
120 . 1 117 CYS C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -72.70 -49.10 -58.92 -59.17 -59.35 . . 0 "[ . 1 . 2]"
121 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 ASN N -52.20 3.20 -20.72 -21.28 -21.76 . . 0 "[ . 1 . 2]"
122 . 1 118 ALA C 1 119 ASN N 1 119 ASN CA 1 119 ASN C -123.50 -63.70 -104.78 -107.60 -101.21 . . 0 "[ . 1 . 2]"
123 . 1 119 ASN N 1 119 ASN CA 1 119 ASN C 1 120 CYS N -59.60 -0.20 -30.77 -36.86 -23.51 . . 0 "[ . 1 . 2]"
124 . 1 119 ASN C 1 120 CYS N 1 120 CYS CA 1 120 CYS C 179.50 -91.30 -134.67 -134.39 -141.51 . . 0 "[ . 1 . 2]"
125 . 1 120 CYS N 1 120 CYS CA 1 120 CYS C 1 121 GLU N 133.40 -169.60 163.92 164.13 163.35 . . 0 "[ . 1 . 2]"
126 . 1 121 GLU C 1 122 SER N 1 122 SER CA 1 122 SER C -83.30 -50.50 -84.64 -83.64 -83.82 3.51 17 0 "[ . 1 . 2]"
127 . 1 122 SER C 1 123 HIS N 1 123 HIS CA 1 123 HIS C -75.70 -50.70 -75.25 -75.93 -76.24 1.49 11 0 "[ . 1 . 2]"
128 . 1 123 HIS C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -120.30 -55.70 -71.47 -72.91 -74.71 . . 0 "[ . 1 . 2]"
129 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 GLY N -46.00 23.00 -22.15 -20.14 -21.21 . . 0 "[ . 1 . 2]"
130 . 1 124 LEU C 1 125 GLY N 1 125 GLY CA 1 125 GLY C -152.60 -45.20 -117.92 -116.55 -117.96 . . 0 "[ . 1 . 2]"
131 . 1 125 GLY N 1 125 GLY CA 1 125 GLY C 1 126 HIS N 89.10 179.50 164.03 152.31 -179.85 0.65 6 0 "[ . 1 . 2]"
132 . 1 125 GLY C 1 126 HIS N 1 126 HIS CA 1 126 HIS C 174.50 -90.70 -134.41 -130.67 -132.88 . . 0 "[ . 1 . 2]"
133 . 1 126 HIS N 1 126 HIS CA 1 126 HIS C 1 127 VAL N 124.50 178.50 159.04 158.43 158.08 . . 0 "[ . 1 . 2]"
134 . 1 126 HIS C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -149.00 -101.80 -130.49 -137.01 -117.84 . . 0 "[ . 1 . 2]"
135 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 PHE N 122.60 160.40 141.38 140.19 139.03 . . 0 "[ . 1 . 2]"
136 . 1 127 VAL C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -167.80 -67.20 -123.69 -140.48 -107.10 . . 0 "[ . 1 . 2]"
137 . 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 ALA N 107.30 147.10 135.26 142.15 140.21 1.32 18 0 "[ . 1 . 2]"
138 . 1 128 PHE C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -179.60 -70.00 -97.61 -97.99 -101.96 2.86 12 0 "[ . 1 . 2]"
139 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 GLY N 114.70 -170.70 160.42 170.61 167.37 0.12 12 0 "[ . 1 . 2]"
140 . 1 130 GLY C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -113.50 -74.30 -73.55 -71.52 -71.94 3.55 2 0 "[ . 1 . 2]"
141 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C 1 132 GLY N -26.20 17.60 -26.55 -31.29 22.63 5.09 14 2 "[ . 1 - +. 2]"
142 . 1 131 GLU C 1 132 GLY N 1 132 GLY CA 1 132 GLY C 59.60 99.80 79.28 68.68 103.84 4.04 12 0 "[ . 1 . 2]"
143 . 1 132 GLY N 1 132 GLY CA 1 132 GLY C 1 133 TYR N -5.00 44.40 33.18 4.08 46.00 1.60 17 0 "[ . 1 . 2]"
144 . 1 132 GLY C 1 133 TYR N 1 133 TYR CA 1 133 TYR C -116.10 -35.90 -89.30 -100.79 -83.42 . . 0 "[ . 1 . 2]"
145 . 1 133 TYR N 1 133 TYR CA 1 133 TYR C 1 134 ASP N -57.30 12.70 13.72 14.19 14.04 2.82 10 0 "[ . 1 . 2]"
146 . 1 134 ASP C 1 135 THR N 1 135 THR CA 1 135 THR C -154.70 -70.10 -123.61 -118.06 -123.60 . . 0 "[ . 1 . 2]"
147 . 1 135 THR N 1 135 THR CA 1 135 THR C 1 136 PRO N 45.60 178.40 156.83 149.04 160.10 . . 0 "[ . 1 . 2]"
148 . 1 137 THR C 1 138 ASP N 1 138 ASP CA 1 138 ASP C 35.20 66.60 53.80 53.68 53.21 . . 0 "[ . 1 . 2]"
149 . 1 138 ASP N 1 138 ASP CA 1 138 ASP C 1 139 LEU N 21.70 64.10 40.65 36.67 45.61 . . 0 "[ . 1 . 2]"
150 . 1 138 ASP C 1 139 LEU N 1 139 LEU CA 1 139 LEU C -161.00 -90.80 -106.23 -103.18 -106.29 0.09 6 0 "[ . 1 . 2]"
151 . 1 139 LEU N 1 139 LEU CA 1 139 LEU C 1 140 ARG N 121.10 -176.70 143.49 130.95 150.58 . . 0 "[ . 1 . 2]"
152 . 1 141 TYR C 1 142 CYS N 1 142 CYS CA 1 142 CYS C -139.70 -57.70 -104.86 -109.31 -111.85 . . 0 "[ . 1 . 2]"
153 . 1 142 CYS N 1 142 CYS CA 1 142 CYS C 1 143 ILE N 90.00 148.60 89.37 88.33 87.18 3.37 1 0 "[ . 1 . 2]"
154 . 1 145 SER C 1 146 VAL N 1 146 VAL CA 1 146 VAL C -120.30 -59.90 -86.39 -82.97 -113.56 0.66 13 0 "[ . 1 . 2]"
155 . 1 146 VAL N 1 146 VAL CA 1 146 VAL C 1 147 CYS N -46.50 45.30 49.94 50.21 46.70 7.82 3 13 "[ *+** **** ***-* 2]"
156 . 1 146 VAL C 1 147 CYS N 1 147 CYS CA 1 147 CYS C 45.50 68.70 71.82 68.24 65.85 5.45 14 4 "[ **. - +. 2]"
157 . 1 147 CYS N 1 147 CYS CA 1 147 CYS C 1 148 LEU N 15.50 58.10 60.90 59.58 63.72 5.62 12 1 "[ . 1 + . 2]"
158 . 1 147 CYS C 1 148 LEU N 1 148 LEU CA 1 148 LEU C -152.70 -90.90 -87.99 -89.34 -85.15 5.75 1 2 "[+ . 1 - . 2]"
159 . 1 148 LEU N 1 148 LEU CA 1 148 LEU C 1 149 THR N 110.40 -179.40 153.52 151.05 156.28 . . 0 "[ . 1 . 2]"
160 . 1 148 LEU C 1 149 THR N 1 149 THR CA 1 149 THR C -166.80 -89.80 -88.84 -88.06 -88.29 2.10 7 0 "[ . 1 . 2]"
161 . 1 149 THR N 1 149 THR CA 1 149 THR C 1 150 LEU N 101.00 152.80 131.27 133.16 132.53 . . 0 "[ . 1 . 2]"
162 . 1 149 THR C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -136.90 -38.70 -98.47 -99.52 -100.51 . . 0 "[ . 1 . 2]"
163 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 ILE N 90.30 155.70 134.44 137.76 133.23 . . 0 "[ . 1 . 2]"
164 . 1 150 LEU C 1 151 ILE N 1 151 ILE CA 1 151 ILE C -130.80 -48.40 -104.61 -111.05 -98.30 . . 0 "[ . 1 . 2]"
165 . 1 151 ILE N 1 151 ILE CA 1 151 ILE C 1 152 PRO N 107.10 143.50 114.33 106.44 126.33 0.66 17 0 "[ . 1 . 2]"
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