NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555501 |
2rsx   |
11507 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rsx
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 1
_TA_constraint_stats_list.Viol_count 20
_TA_constraint_stats_list.Viol_total 44487.05
_TA_constraint_stats_list.Viol_max 168.48
_TA_constraint_stats_list.Viol_rms 30.87
_TA_constraint_stats_list.Viol_average_all_restraints 111.22
_TA_constraint_stats_list.Viol_average_violations_only 111.22
_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 2 LYS CA 1 2 LYS N 1 1 GLY H1 1 1 GLY C 170.00 -170.00 56.02 -34.77 92.80 168.48 15 20 [**************+-****]
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 154
_TA_constraint_stats_list.Viol_count 123
_TA_constraint_stats_list.Viol_total 11759.22
_TA_constraint_stats_list.Viol_max 32.85
_TA_constraint_stats_list.Viol_rms 1.78
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 4.78
_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 9 SER C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -88.90 -28.90 -54.99 -57.81 -51.67 . . 0 "[ . 1 . 2]"
2 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 LYS N -72.80 -12.80 -43.32 -41.30 -41.95 . . 0 "[ . 1 . 2]"
3 . 1 10 GLN C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -93.40 -33.40 -63.01 -67.29 -59.73 . . 0 "[ . 1 . 2]"
4 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 GLN N -71.40 -11.40 -48.46 -49.36 -52.27 . . 0 "[ . 1 . 2]"
5 . 1 11 LYS C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -96.90 -36.90 -58.02 -66.40 -51.01 . . 0 "[ . 1 . 2]"
6 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 ALA N -71.00 -11.00 -52.22 -55.37 -47.68 . . 0 "[ . 1 . 2]"
7 . 1 12 GLN C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -96.40 -36.40 -56.19 -53.82 -55.22 . . 0 "[ . 1 . 2]"
8 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 LEU N -71.00 -11.00 -47.77 -49.46 -45.37 . . 0 "[ . 1 . 2]"
9 . 1 13 ALA C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -93.90 -33.90 -56.34 -57.40 -59.37 . . 0 "[ . 1 . 2]"
10 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLN N -73.70 -13.70 -46.29 -48.94 -43.58 . . 0 "[ . 1 . 2]"
11 . 1 14 LEU C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -94.10 -34.10 -71.90 -72.03 -72.16 . . 0 "[ . 1 . 2]"
12 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 LEU N -72.80 -12.80 -41.32 -42.66 -38.85 . . 0 "[ . 1 . 2]"
13 . 1 15 GLN C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -97.60 -37.60 -55.57 -56.18 -57.41 . . 0 "[ . 1 . 2]"
14 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 ALA N -69.80 -9.80 -40.64 -41.62 -39.43 . . 0 "[ . 1 . 2]"
15 . 1 16 LEU C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -90.30 -30.30 -65.16 -65.19 -65.30 . . 0 "[ . 1 . 2]"
16 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 LEU N -75.50 -15.50 -49.01 -49.06 -49.55 . . 0 "[ . 1 . 2]"
17 . 1 17 ALA C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -90.10 -30.10 -60.97 -64.02 -58.16 . . 0 "[ . 1 . 2]"
18 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 SER N -72.40 -12.40 -41.93 -43.42 -43.67 . . 0 "[ . 1 . 2]"
19 . 1 18 LEU C 1 19 SER N 1 19 SER CA 1 19 SER C -94.90 -34.90 -66.54 -64.48 -65.44 . . 0 "[ . 1 . 2]"
20 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 ALA N -68.60 -8.60 -37.11 -42.30 -34.49 . . 0 "[ . 1 . 2]"
21 . 1 19 SER C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -97.70 -37.70 -66.47 -64.43 -64.91 . . 0 "[ . 1 . 2]"
22 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 ARG N -70.20 -10.20 -37.43 -42.09 -32.36 . . 0 "[ . 1 . 2]"
23 . 1 20 ALA C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -93.20 -33.20 -59.83 -63.51 -63.57 . . 0 "[ . 1 . 2]"
24 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 GLU N -71.50 -11.50 -46.49 -41.95 -42.59 . . 0 "[ . 1 . 2]"
25 . 1 21 ARG C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -92.20 -32.20 -62.01 -59.52 -59.74 . . 0 "[ . 1 . 2]"
26 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 HIS N -74.40 -14.40 -48.56 -48.15 -48.59 . . 0 "[ . 1 . 2]"
27 . 1 22 GLU C 1 23 HIS N 1 23 HIS CA 1 23 HIS C -94.20 -34.20 -66.29 -64.55 -65.12 . . 0 "[ . 1 . 2]"
28 . 1 23 HIS N 1 23 HIS CA 1 23 HIS C 1 24 PHE N -69.20 -9.20 -37.83 -45.67 -24.91 . . 0 "[ . 1 . 2]"
29 . 1 23 HIS C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -95.90 -35.90 -64.02 -62.69 -62.84 . . 0 "[ . 1 . 2]"
30 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 TRP N -73.30 -13.30 -56.77 -53.60 -53.60 . . 0 "[ . 1 . 2]"
31 . 1 24 PHE C 1 25 TRP N 1 25 TRP CA 1 25 TRP C -93.90 -33.90 -64.28 -68.48 -59.51 . . 0 "[ . 1 . 2]"
32 . 1 25 TRP N 1 25 TRP CA 1 25 TRP C 1 26 ASN N -70.10 -10.10 -34.42 -35.84 -36.96 . . 0 "[ . 1 . 2]"
33 . 1 25 TRP C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -97.20 -37.20 -68.16 -76.68 -62.10 . . 0 "[ . 1 . 2]"
34 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 THR N -68.30 -8.30 -35.70 -31.56 -33.54 . . 0 "[ . 1 . 2]"
35 . 1 26 ASN C 1 27 THR N 1 27 THR CA 1 27 THR C -90.60 -30.60 -69.74 -93.60 -58.42 3.00 5 0 "[ . 1 . 2]"
36 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 MET N -74.60 -14.60 -45.73 -45.38 -45.97 . . 0 "[ . 1 . 2]"
37 . 1 27 THR C 1 28 MET N 1 28 MET CA 1 28 MET C -95.30 -35.30 -62.44 -65.53 -59.20 . . 0 "[ . 1 . 2]"
38 . 1 28 MET N 1 28 MET CA 1 28 MET C 1 29 SER N -60.30 -0.30 -21.04 -35.37 -9.30 . . 0 "[ . 1 . 2]"
39 . 1 43 GLY C 1 44 THR N 1 44 THR CA 1 44 THR C -158.70 -98.70 -141.59 -139.13 -139.39 . . 0 "[ . 1 . 2]"
40 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 PHE N 132.10 -167.90 167.22 164.26 163.69 . . 0 "[ . 1 . 2]"
41 . 1 44 THR C 1 45 PHE N 1 45 PHE CA 1 45 PHE C 177.10 -122.90 -146.85 -150.09 -154.07 . . 0 "[ . 1 . 2]"
42 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 GLU N 128.50 -171.50 179.44 171.35 -174.57 . . 0 "[ . 1 . 2]"
43 . 1 45 PHE C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -147.90 -87.90 -125.04 -123.13 -123.64 . . 0 "[ . 1 . 2]"
44 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 TYR N 97.10 157.10 131.08 129.11 132.35 . . 0 "[ . 1 . 2]"
45 . 1 46 GLU C 1 47 TYR N 1 47 TYR CA 1 47 TYR C -168.90 -108.90 -157.99 -160.04 -155.69 . . 0 "[ . 1 . 2]"
46 . 1 47 TYR N 1 47 TYR CA 1 47 TYR C 1 48 GLN N 95.80 155.80 136.93 136.35 135.81 . . 0 "[ . 1 . 2]"
47 . 1 50 LEU C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -131.20 -71.20 -88.84 -94.07 -84.34 . . 0 "[ . 1 . 2]"
48 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 TYR N 105.10 165.10 128.43 124.44 130.31 . . 0 "[ . 1 . 2]"
49 . 1 51 GLN C 1 52 TYR N 1 52 TYR CA 1 52 TYR C -143.90 -83.90 -105.77 -106.09 -106.43 . . 0 "[ . 1 . 2]"
50 . 1 52 TYR N 1 52 TYR CA 1 52 TYR C 1 53 VAL N 127.30 -172.70 144.40 147.87 146.60 . . 0 "[ . 1 . 2]"
51 . 1 52 TYR C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -158.90 -98.90 -117.95 -126.69 -113.23 . . 0 "[ . 1 . 2]"
52 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 TYR N 127.80 -172.20 136.45 135.99 135.32 . . 0 "[ . 1 . 2]"
53 . 1 61 THR C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -90.70 -30.70 -50.75 -51.67 -52.51 . . 0 "[ . 1 . 2]"
54 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 ALA N -71.90 -11.90 -46.55 -45.00 -45.19 . . 0 "[ . 1 . 2]"
55 . 1 62 LYS C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -89.40 -29.40 -56.05 -54.35 -55.06 . . 0 "[ . 1 . 2]"
56 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 LYS N -69.40 -9.40 -50.64 -54.66 -55.37 . . 0 "[ . 1 . 2]"
57 . 1 63 ALA C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -96.20 -36.20 -55.06 -62.94 -45.93 . . 0 "[ . 1 . 2]"
58 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 ALA N -71.40 -11.40 -41.11 -43.22 -47.36 . . 0 "[ . 1 . 2]"
59 . 1 64 LYS C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -98.10 -38.10 -73.30 -75.78 -70.50 . . 0 "[ . 1 . 2]"
60 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 VAL N -70.00 -10.00 -41.39 -45.97 -39.24 . . 0 "[ . 1 . 2]"
61 . 1 65 ALA C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -94.10 -34.10 -59.35 -60.42 -60.68 . . 0 "[ . 1 . 2]"
62 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 ASN N -75.30 -15.30 -42.45 -45.32 -39.47 . . 0 "[ . 1 . 2]"
63 . 1 66 VAL C 1 67 ASN N 1 67 ASN CA 1 67 ASN C -91.60 -31.60 -62.39 -60.39 -61.36 . . 0 "[ . 1 . 2]"
64 . 1 67 ASN N 1 67 ASN CA 1 67 ASN C 1 68 TYR N -73.90 -13.90 -35.52 -36.84 -37.19 . . 0 "[ . 1 . 2]"
65 . 1 67 ASN C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -105.30 -45.30 -70.01 -68.35 -69.12 . . 0 "[ . 1 . 2]"
66 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 LEU N -68.70 -8.70 -34.40 -33.96 -34.04 . . 0 "[ . 1 . 2]"
67 . 1 74 THR C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -89.50 -29.50 -50.23 -47.89 -49.45 . . 0 "[ . 1 . 2]"
68 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 THR N -73.50 -13.50 -49.22 -54.68 -46.26 . . 0 "[ . 1 . 2]"
69 . 1 75 LYS C 1 76 THR N 1 76 THR CA 1 76 THR C -93.80 -33.80 -61.56 -60.30 -61.08 . . 0 "[ . 1 . 2]"
70 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 ALA N -69.20 -9.20 -40.09 -46.80 -34.77 . . 0 "[ . 1 . 2]"
71 . 1 76 THR C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -95.50 -35.50 -61.70 -61.28 -62.19 . . 0 "[ . 1 . 2]"
72 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 ILE N -70.80 -10.80 -36.76 -37.19 -38.90 . . 0 "[ . 1 . 2]"
73 . 1 77 ALA C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -94.10 -34.10 -70.11 -74.41 -64.38 . . 0 "[ . 1 . 2]"
74 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 GLU N -77.00 -17.00 -48.34 -50.89 -46.60 . . 0 "[ . 1 . 2]"
75 . 1 78 ILE C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -90.50 -30.50 -60.11 -63.99 -58.63 . . 0 "[ . 1 . 2]"
76 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 LYS N -70.00 -10.00 -41.14 -40.68 -41.54 . . 0 "[ . 1 . 2]"
77 . 1 79 GLU C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -95.70 -35.70 -61.39 -63.60 -59.24 . . 0 "[ . 1 . 2]"
78 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 GLY N -71.30 -11.30 -46.03 -47.39 -43.89 . . 0 "[ . 1 . 2]"
79 . 1 80 LYS C 1 81 GLY N 1 81 GLY CA 1 81 GLY C -94.50 -34.50 -71.83 -73.60 -74.39 . . 0 "[ . 1 . 2]"
80 . 1 81 GLY N 1 81 GLY CA 1 81 GLY C 1 82 PHE N -71.30 -11.30 -29.48 -13.90 -14.24 0.25 12 0 "[ . 1 . 2]"
81 . 1 81 GLY C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -100.70 -40.70 -64.97 -81.54 -60.58 . . 0 "[ . 1 . 2]"
82 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 LYS N -69.60 -9.60 -44.21 -51.81 -51.95 . . 0 "[ . 1 . 2]"
83 . 1 82 PHE C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -92.80 -32.80 -66.08 -62.55 -62.79 . . 0 "[ . 1 . 2]"
84 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ASP N -71.50 -11.50 -44.59 -47.40 -41.58 . . 0 "[ . 1 . 2]"
85 . 1 83 LYS C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -95.00 -35.00 -67.80 -66.57 -66.60 . . 0 "[ . 1 . 2]"
86 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 TYR N -69.70 -9.70 -27.54 -23.14 -23.51 . . 0 "[ . 1 . 2]"
87 . 1 87 PHE C 1 88 THR N 1 88 THR CA 1 88 THR C -167.80 -107.80 -140.68 -144.96 -145.94 . . 0 "[ . 1 . 2]"
88 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 VAL N 117.60 177.60 178.40 178.33 178.29 6.07 4 1 "[ +. 1 . 2]"
89 . 1 88 THR C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -137.50 -77.50 -134.17 -137.90 -127.29 0.40 15 0 "[ . 1 . 2]"
90 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 SER N 98.70 158.70 134.70 134.66 134.25 . . 0 "[ . 1 . 2]"
91 . 1 89 VAL C 1 90 SER N 1 90 SER CA 1 90 SER C -149.30 -89.30 -140.28 -147.50 -130.68 . . 0 "[ . 1 . 2]"
92 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 LYS N 90.00 150.00 126.43 114.96 134.64 . . 0 "[ . 1 . 2]"
93 . 1 92 GLY C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -142.80 -82.80 -94.12 -99.25 -100.88 0.57 19 0 "[ . 1 . 2]"
94 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 LEU N 117.10 177.10 134.68 127.22 138.20 . . 0 "[ . 1 . 2]"
95 . 1 93 LYS C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -141.00 -81.00 -66.87 -71.79 -62.33 18.67 1 20 [+*****************-*]
96 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 ALA N 98.70 158.70 141.04 141.43 141.40 . . 0 "[ . 1 . 2]"
97 . 1 94 LEU C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -161.20 -101.20 -140.34 -141.67 -141.93 . . 0 "[ . 1 . 2]"
98 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 VAL N 117.80 177.80 152.72 150.49 154.99 . . 0 "[ . 1 . 2]"
99 . 1 95 ALA C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -160.60 -100.60 -133.17 -136.86 -129.36 . . 0 "[ . 1 . 2]"
100 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 PRO N 115.20 175.20 149.55 147.89 151.46 . . 0 "[ . 1 . 2]"
101 . 1 110 SER C 1 111 THR N 1 111 THR CA 1 111 THR C -158.70 -98.70 -135.16 -135.74 -135.89 . . 0 "[ . 1 . 2]"
102 . 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 ALA N 125.50 -174.50 141.22 142.91 142.56 . . 0 "[ . 1 . 2]"
103 . 1 111 THR C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -157.20 -97.20 -96.15 -96.40 -96.44 5.65 8 2 "[ . + 1 - . 2]"
104 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 LYS N 107.90 167.90 146.73 141.49 153.72 . . 0 "[ . 1 . 2]"
105 . 1 112 ALA C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -159.70 -99.70 -139.13 -145.02 -132.90 . . 0 "[ . 1 . 2]"
106 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 LEU N 105.20 165.20 122.73 121.05 125.00 . . 0 "[ . 1 . 2]"
107 . 1 113 LYS C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -109.30 -49.30 -66.86 -68.41 -68.98 . . 0 "[ . 1 . 2]"
108 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 ILE N 92.20 152.20 133.25 133.38 132.68 . . 0 "[ . 1 . 2]"
109 . 1 114 LEU C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -128.90 -68.90 -111.72 -119.20 -102.26 . . 0 "[ . 1 . 2]"
110 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 SER N -64.00 -4.00 -40.48 -39.37 -39.71 . . 0 "[ . 1 . 2]"
111 . 1 115 ILE C 1 116 SER N 1 116 SER CA 1 116 SER C 170.90 -129.10 -159.87 -158.28 -158.71 . . 0 "[ . 1 . 2]"
112 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 LYS N 123.70 -176.30 143.72 136.95 152.68 . . 0 "[ . 1 . 2]"
113 . 1 116 SER C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -149.10 -89.10 -138.94 -146.38 -147.39 . . 0 "[ . 1 . 2]"
114 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 LYS N 97.30 157.30 101.01 95.13 110.84 2.17 12 0 "[ . 1 . 2]"
115 . 1 117 LYS C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -147.80 -87.80 -128.90 -137.70 -102.55 . . 0 "[ . 1 . 2]"
116 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 GLY N 89.10 149.10 104.79 91.83 91.02 32.85 5 8 "[ + - * *** **]"
117 . 1 120 SER C 1 121 THR N 1 121 THR CA 1 121 THR C -152.30 -92.30 -133.01 -147.85 -126.81 . . 0 "[ . 1 . 2]"
118 . 1 121 THR N 1 121 THR CA 1 121 THR C 1 122 ILE N 115.40 175.40 135.12 135.58 135.42 . . 0 "[ . 1 . 2]"
119 . 1 121 THR C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -163.10 -103.10 -140.69 -140.74 -140.84 . . 0 "[ . 1 . 2]"
120 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 THR N 100.60 160.60 138.98 136.31 141.34 . . 0 "[ . 1 . 2]"
121 . 1 122 ILE C 1 123 THR N 1 123 THR CA 1 123 THR C -141.50 -81.50 -120.44 -121.09 -121.42 . . 0 "[ . 1 . 2]"
122 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 TYR N 97.40 157.40 136.40 136.06 135.45 . . 0 "[ . 1 . 2]"
123 . 1 123 THR C 1 124 TYR N 1 124 TYR CA 1 124 TYR C -160.50 -100.50 -123.44 -127.47 -120.02 . . 0 "[ . 1 . 2]"
124 . 1 124 TYR N 1 124 TYR CA 1 124 TYR C 1 125 GLU N 123.50 -176.50 148.70 149.98 149.16 . . 0 "[ . 1 . 2]"
125 . 1 124 TYR C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -162.10 -102.10 -100.80 -101.47 -101.64 6.42 19 2 "[ . 1 .- +2]"
126 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 PHE N 102.30 162.30 143.58 126.49 149.19 . . 0 "[ . 1 . 2]"
127 . 1 125 GLU C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -145.10 -85.10 -121.72 -115.32 -119.62 . . 0 "[ . 1 . 2]"
128 . 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 THR N 88.60 148.60 123.87 118.07 127.77 . . 0 "[ . 1 . 2]"
129 . 1 126 PHE C 1 127 THR N 1 127 THR CA 1 127 THR C -130.00 -70.00 -95.99 -102.27 -90.53 . . 0 "[ . 1 . 2]"
130 . 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 VAL N 91.60 151.60 110.54 104.45 116.85 . . 0 "[ . 1 . 2]"
131 . 1 127 THR C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -153.00 -93.00 -112.26 -113.57 -114.41 . . 0 "[ . 1 . 2]"
132 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 PRO N 79.80 139.80 105.79 105.82 105.60 . . 0 "[ . 1 . 2]"
133 . 1 137 ALA C 1 138 LYS N 1 138 LYS CA 1 138 LYS C -140.40 -80.40 -90.54 -93.89 -96.25 . . 0 "[ . 1 . 2]"
134 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 ARG N 98.80 158.80 133.22 138.57 137.50 . . 0 "[ . 1 . 2]"
135 . 1 138 LYS C 1 139 ARG N 1 139 ARG CA 1 139 ARG C -157.20 -97.20 -133.25 -138.66 -117.02 . . 0 "[ . 1 . 2]"
136 . 1 139 ARG N 1 139 ARG CA 1 139 ARG C 1 140 LYS N 110.60 170.60 149.44 153.60 152.78 . . 0 "[ . 1 . 2]"
137 . 1 139 ARG C 1 140 LYS N 1 140 LYS CA 1 140 LYS C -124.00 -64.00 -120.53 -128.19 -88.43 4.19 4 0 "[ . 1 . 2]"
138 . 1 140 LYS N 1 140 LYS CA 1 140 LYS C 1 141 VAL N 95.40 155.40 134.97 137.54 136.24 . . 0 "[ . 1 . 2]"
139 . 1 140 LYS C 1 141 VAL N 1 141 VAL CA 1 141 VAL C -150.10 -90.10 -135.51 -139.17 -124.86 . . 0 "[ . 1 . 2]"
140 . 1 141 VAL N 1 141 VAL CA 1 141 VAL C 1 142 THR N 96.10 156.10 122.17 117.32 125.44 . . 0 "[ . 1 . 2]"
141 . 1 141 VAL C 1 142 THR N 1 142 THR CA 1 142 THR C -144.20 -84.20 -108.91 -112.07 -105.84 . . 0 "[ . 1 . 2]"
142 . 1 142 THR N 1 142 THR CA 1 142 THR C 1 143 PHE N 91.30 151.30 132.28 124.60 137.87 . . 0 "[ . 1 . 2]"
143 . 1 142 THR C 1 143 PHE N 1 143 PHE CA 1 143 PHE C -144.70 -84.70 -113.20 -109.31 -110.64 . . 0 "[ . 1 . 2]"
144 . 1 143 PHE N 1 143 PHE CA 1 143 PHE C 1 144 VAL N 99.20 159.20 140.20 133.50 145.11 . . 0 "[ . 1 . 2]"
145 . 1 143 PHE C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -155.30 -95.30 -131.54 -131.19 -131.85 . . 0 "[ . 1 . 2]"
146 . 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 LYS N 104.70 164.70 127.99 125.95 132.19 . . 0 "[ . 1 . 2]"
147 . 1 144 VAL C 1 145 LYS N 1 145 LYS CA 1 145 LYS C -124.10 -64.10 -80.62 -80.04 -80.19 . . 0 "[ . 1 . 2]"
148 . 1 145 LYS N 1 145 LYS CA 1 145 LYS C 1 146 GLU N 92.90 152.90 114.22 103.22 132.66 . . 0 "[ . 1 . 2]"
149 . 1 149 LYS C 1 150 TRP N 1 150 TRP CA 1 150 TRP C -110.00 -50.00 -75.85 -74.18 -74.81 . . 0 "[ . 1 . 2]"
150 . 1 150 TRP N 1 150 TRP CA 1 150 TRP C 1 151 LYS N 114.40 174.40 124.40 117.34 133.12 . . 0 "[ . 1 . 2]"
151 . 1 150 TRP C 1 151 LYS N 1 151 LYS CA 1 151 LYS C -158.30 -98.30 -130.21 -128.29 -129.45 . . 0 "[ . 1 . 2]"
152 . 1 151 LYS N 1 151 LYS CA 1 151 LYS C 1 152 VAL N 121.50 -178.50 152.56 149.69 158.81 . . 0 "[ . 1 . 2]"
153 . 1 151 LYS C 1 152 VAL N 1 152 VAL CA 1 152 VAL C -103.10 -43.10 -74.00 -74.43 -74.88 . . 0 "[ . 1 . 2]"
154 . 1 152 VAL N 1 152 VAL CA 1 152 VAL C 1 153 ASN N 109.20 169.20 133.02 131.22 134.88 . . 0 "[ . 1 . 2]"
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