NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572264 |
2m98   |
19286 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m98
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 13
_TA_constraint_stats_list.Viol_count 63
_TA_constraint_stats_list.Viol_total 2284.55
_TA_constraint_stats_list.Viol_max 2.69
_TA_constraint_stats_list.Viol_rms 0.62
_TA_constraint_stats_list.Viol_average_all_restraints 0.26
_TA_constraint_stats_list.Viol_average_violations_only 1.39
_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 6 GLU N 1 6 GLU CA 1 6 GLU CB 1 6 GLU CG 30.00 90.00 60.51 75.12 69.37 . . 0 "[ . 1 . 2 . ]"
2 . 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 30.00 90.00 83.82 74.21 91.17 1.17 1 0 "[ . 1 . 2 . ]"
3 . 1 31 LEU N 1 31 LEU CA 1 31 LEU CB 1 31 LEU CG -90.00 -30.00 -68.93 -77.03 -87.62 2.69 11 0 "[ . 1 . 2 . ]"
4 . 1 41 ARG N 1 41 ARG CA 1 41 ARG CB 1 41 ARG CG 150.00 -150.00 -149.95 -149.36 -149.72 2.62 5 0 "[ . 1 . 2 . ]"
5 . 1 46 LEU N 1 46 LEU CA 1 46 LEU CB 1 46 LEU CG 150.00 -150.00 -179.09 -158.15 -166.32 0.26 2 0 "[ . 1 . 2 . ]"
6 . 1 73 ASP N 1 73 ASP CA 1 73 ASP CB 1 73 ASP CG -90.00 -30.00 -91.73 -92.48 -91.09 2.48 6 0 "[ . 1 . 2 . ]"
7 . 1 78 ARG N 1 78 ARG CA 1 78 ARG CB 1 78 ARG CG 30.00 90.00 60.38 48.97 42.72 . . 0 "[ . 1 . 2 . ]"
8 . 1 82 PHE N 1 82 PHE CA 1 82 PHE CB 1 82 PHE CG 30.00 90.00 76.32 77.29 76.29 . . 0 "[ . 1 . 2 . ]"
9 . 1 94 ASP N 1 94 ASP CA 1 94 ASP CB 1 94 ASP CG 30.00 90.00 58.77 43.78 90.21 0.21 10 0 "[ . 1 . 2 . ]"
10 . 1 96 ARG N 1 96 ARG CA 1 96 ARG CB 1 96 ARG CG -90.00 -30.00 -67.74 -87.40 -45.22 . . 0 "[ . 1 . 2 . ]"
11 . 1 97 TYR N 1 97 TYR CA 1 97 TYR CB 1 97 TYR CG -90.00 -30.00 -73.18 -80.05 -67.90 . . 0 "[ . 1 . 2 . ]"
12 . 1 99 ASN N 1 99 ASN CA 1 99 ASN CB 1 99 ASN CG -90.00 -30.00 -60.00 -90.59 -38.51 0.59 18 0 "[ . 1 . 2 . ]"
13 . 1 122 GLU N 1 122 GLU CA 1 122 GLU CB 1 122 GLU CG 30.00 90.00 52.85 67.15 56.32 1.10 4 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 133
_TA_constraint_stats_list.Viol_count 421
_TA_constraint_stats_list.Viol_total 14518.14
_TA_constraint_stats_list.Viol_max 4.86
_TA_constraint_stats_list.Viol_rms 0.56
_TA_constraint_stats_list.Viol_average_all_restraints 0.16
_TA_constraint_stats_list.Viol_average_violations_only 1.33
_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 4 MET C 1 5 THR N 1 5 THR CA 1 5 THR C -129.48 -69.48 -127.38 -126.34 -127.70 1.73 20 0 "[ . 1 . 2 . ]"
2 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 GLU N 103.02 163.02 158.19 160.90 159.79 0.92 21 0 "[ . 1 . 2 . ]"
3 . 1 7 ARG C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -98.57 -38.57 -80.41 -82.62 -88.33 3.32 26 0 "[ . 1 . 2 . ]"
4 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 LEU N -55.48 4.52 -10.75 -44.56 9.37 4.85 8 0 "[ . 1 . 2 . ]"
5 . 1 8 ARG C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -139.63 -59.63 -85.56 -142.33 -56.57 3.06 8 0 "[ . 1 . 2 . ]"
6 . 1 9 LEU C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -155.42 -75.42 -146.51 -158.01 -122.24 2.60 15 0 "[ . 1 . 2 . ]"
7 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 VAL N 93.43 173.43 156.16 154.40 150.46 4.15 17 0 "[ . 1 . 2 . ]"
8 . 1 10 ARG C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -158.68 -78.68 -126.43 -160.97 -76.60 2.29 21 0 "[ . 1 . 2 . ]"
9 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LEU N 82.64 -177.36 103.82 83.51 131.46 . . 0 "[ . 1 . 2 . ]"
10 . 1 11 VAL C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -160.90 -80.90 -89.69 -88.70 -91.21 2.08 26 0 "[ . 1 . 2 . ]"
11 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 VAL N 84.98 164.98 97.26 83.30 117.49 1.68 12 0 "[ . 1 . 2 . ]"
12 . 1 12 LEU C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -132.74 -72.74 -106.82 -108.78 -111.14 . . 0 "[ . 1 . 2 . ]"
13 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 VAL N 91.28 151.27 138.96 127.70 121.85 3.93 20 0 "[ . 1 . 2 . ]"
14 . 1 13 VAL C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -176.77 -56.77 -149.18 -168.14 -126.30 . . 0 "[ . 1 . 2 . ]"
15 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 GLU N 98.57 158.57 141.77 117.25 159.64 1.07 1 0 "[ . 1 . 2 . ]"
16 . 1 14 VAL C 1 15 GLU N 1 15 GLU CA 1 15 GLU C 167.32 -72.68 -162.65 -165.00 -166.86 . . 0 "[ . 1 . 2 . ]"
17 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ASP N 115.63 175.63 148.41 122.58 169.24 . . 0 "[ . 1 . 2 . ]"
18 . 1 17 GLU C 1 18 SER N 1 18 SER CA 1 18 SER C -104.77 -24.77 -89.81 -82.12 -82.39 . . 0 "[ . 1 . 2 . ]"
19 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 MET N -77.36 2.64 -8.86 -26.81 4.05 1.41 12 0 "[ . 1 . 2 . ]"
20 . 1 18 SER C 1 19 MET N 1 19 MET CA 1 19 MET C -124.98 -24.98 -54.85 -70.13 -44.73 . . 0 "[ . 1 . 2 . ]"
21 . 1 19 MET N 1 19 MET CA 1 19 MET C 1 20 ILE N -75.68 24.32 -21.13 -23.10 -24.56 . . 0 "[ . 1 . 2 . ]"
22 . 1 19 MET C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -104.95 -24.95 -87.42 -103.93 -66.95 . . 0 "[ . 1 . 2 . ]"
23 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 ALA N -91.61 8.39 -17.37 -11.01 -15.07 . . 0 "[ . 1 . 2 . ]"
24 . 1 20 ILE C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -111.80 -11.80 -67.78 -94.73 -50.07 . . 0 "[ . 1 . 2 . ]"
25 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 MET N -91.55 8.45 -73.79 -82.74 -84.91 . . 0 "[ . 1 . 2 . ]"
26 . 1 21 ALA C 1 22 MET N 1 22 MET CA 1 22 MET C -94.98 -34.98 -57.25 -74.24 -49.81 . . 0 "[ . 1 . 2 . ]"
27 . 1 22 MET N 1 22 MET CA 1 22 MET C 1 23 LEU N -89.95 10.05 -24.52 -22.66 -23.12 . . 0 "[ . 1 . 2 . ]"
28 . 1 22 MET C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -94.98 -34.98 -68.16 -76.72 -57.01 . . 0 "[ . 1 . 2 . ]"
29 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 ILE N -94.88 5.12 -8.01 -10.53 -12.16 . . 0 "[ . 1 . 2 . ]"
30 . 1 23 LEU C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -114.83 -14.83 -100.75 -112.12 -88.24 . . 0 "[ . 1 . 2 . ]"
31 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 GLU N -84.96 -4.96 -47.53 -54.40 -35.18 . . 0 "[ . 1 . 2 . ]"
32 . 1 24 ILE C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -96.77 -36.77 -56.18 -76.40 -44.90 . . 0 "[ . 1 . 2 . ]"
33 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ASP N -70.86 -10.86 -27.35 -26.15 -26.49 . . 0 "[ . 1 . 2 . ]"
34 . 1 25 GLU C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -91.78 -31.78 -78.19 -77.53 -78.65 . . 0 "[ . 1 . 2 . ]"
35 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 THR N -74.35 -14.35 -41.55 -48.96 -23.32 . . 0 "[ . 1 . 2 . ]"
36 . 1 26 ASP C 1 27 THR N 1 27 THR CA 1 27 THR C -94.11 -34.11 -67.24 -63.84 -64.55 1.47 18 0 "[ . 1 . 2 . ]"
37 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 LEU N -74.75 -14.75 -46.19 -51.70 -52.04 . . 0 "[ . 1 . 2 . ]"
38 . 1 27 THR C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -94.39 -34.39 -60.08 -58.99 -60.02 . . 0 "[ . 1 . 2 . ]"
39 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 CYS N -73.40 -13.40 -29.67 -41.36 -18.08 . . 0 "[ . 1 . 2 . ]"
40 . 1 28 LEU C 1 29 CYS N 1 29 CYS CA 1 29 CYS C -103.51 -23.51 -56.41 -51.84 -56.70 . . 0 "[ . 1 . 2 . ]"
41 . 1 29 CYS N 1 29 CYS CA 1 29 CYS C 1 30 GLU N -83.43 -3.43 -33.08 -35.40 -37.33 . . 0 "[ . 1 . 2 . ]"
42 . 1 29 CYS C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -93.24 -33.24 -86.43 -95.20 -45.06 1.96 23 0 "[ . 1 . 2 . ]"
43 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 LEU N -58.02 1.98 -44.10 -43.57 -44.74 0.51 19 0 "[ . 1 . 2 . ]"
44 . 1 30 GLU C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -112.01 -52.01 -79.54 -113.44 -61.30 1.43 6 0 "[ . 1 . 2 . ]"
45 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 GLY N -38.24 41.76 -35.29 -37.64 -38.25 2.52 22 0 "[ . 1 . 2 . ]"
46 . 1 32 GLY C 1 33 HIS N 1 33 HIS CA 1 33 HIS C -95.06 -35.06 -52.15 -84.62 -35.85 . . 0 "[ . 1 . 2 . ]"
47 . 1 34 GLU C 1 35 VAL N 1 35 VAL CA 1 35 VAL C 179.26 -80.74 -142.05 -178.34 -85.56 . . 0 "[ . 1 . 2 . ]"
48 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 ALA N 95.05 -164.95 114.17 94.60 -164.04 0.91 17 0 "[ . 1 . 2 . ]"
49 . 1 36 ALA C 1 37 ALA N 1 37 ALA CA 1 37 ALA C 177.36 -122.64 -124.78 -150.07 -119.68 2.96 17 0 "[ . 1 . 2 . ]"
50 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 THR N 114.30 174.30 149.09 150.39 148.76 . . 0 "[ . 1 . 2 . ]"
51 . 1 37 ALA C 1 38 THR N 1 38 THR CA 1 38 THR C -153.62 -93.62 -133.57 -151.97 -118.42 . . 0 "[ . 1 . 2 . ]"
52 . 1 37 ALA C 1 38 THR N 1 38 THR CA 1 38 THR C -165.85 -65.85 -133.57 -151.97 -118.42 . . 0 "[ . 1 . 2 . ]"
53 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 ALA N 82.64 -177.36 163.01 161.92 155.65 . . 0 "[ . 1 . 2 . ]"
54 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 ALA N 85.15 -174.85 163.01 161.92 155.65 . . 0 "[ . 1 . 2 . ]"
55 . 1 39 ALA C 1 40 SER N 1 40 SER CA 1 40 SER C -176.62 -76.62 -81.92 -98.34 -75.52 1.10 12 0 "[ . 1 . 2 . ]"
56 . 1 40 SER N 1 40 SER CA 1 40 SER C 1 41 ARG N 83.57 -176.43 124.67 92.69 145.44 . . 0 "[ . 1 . 2 . ]"
57 . 1 40 SER C 1 41 ARG N 1 41 ARG CA 1 41 ARG C -165.85 -105.85 -142.17 -132.57 -136.38 . . 0 "[ . 1 . 2 . ]"
58 . 1 41 ARG N 1 41 ARG CA 1 41 ARG C 1 42 MET N 115.37 175.37 120.45 113.50 132.11 1.87 9 0 "[ . 1 . 2 . ]"
59 . 1 41 ARG C 1 42 MET N 1 42 MET CA 1 42 MET C -92.49 -32.49 -59.79 -59.02 -59.79 . . 0 "[ . 1 . 2 . ]"
60 . 1 42 MET N 1 42 MET CA 1 42 MET C 1 43 GLN N -65.51 -5.51 -32.09 -25.45 -28.18 . . 0 "[ . 1 . 2 . ]"
61 . 1 42 MET C 1 43 GLN N 1 43 GLN CA 1 43 GLN C -93.10 -33.10 -68.97 -81.07 -52.99 . . 0 "[ . 1 . 2 . ]"
62 . 1 43 GLN C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -94.34 -34.34 -63.63 -50.47 -56.11 . . 0 "[ . 1 . 2 . ]"
63 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 ALA N -60.64 -0.64 -46.00 -56.27 -36.48 . . 0 "[ . 1 . 2 . ]"
64 . 1 44 GLU C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -94.68 -34.68 -47.37 -59.44 -42.07 . . 0 "[ . 1 . 2 . ]"
65 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 LEU N -72.14 -12.14 -49.80 -68.89 -31.80 . . 0 "[ . 1 . 2 . ]"
66 . 1 45 ALA C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -95.18 -35.18 -53.05 -60.25 -68.01 . . 0 "[ . 1 . 2 . ]"
67 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 ASP N -66.15 13.85 -38.38 -47.44 -29.11 . . 0 "[ . 1 . 2 . ]"
68 . 1 46 LEU C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -95.20 -35.20 -65.20 -66.58 -68.04 . . 0 "[ . 1 . 2 . ]"
69 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C 1 48 ILE N -82.00 -2.00 -26.30 -24.07 -25.81 . . 0 "[ . 1 . 2 . ]"
70 . 1 47 ASP C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -94.06 -34.06 -81.24 -97.11 -42.64 3.05 14 0 "[ . 1 . 2 . ]"
71 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 ALA N -65.50 -5.50 -27.48 -45.22 -5.91 . . 0 "[ . 1 . 2 . ]"
72 . 1 48 ILE C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -92.24 -32.24 -91.45 -93.02 -93.33 4.78 4 0 "[ . 1 . 2 . ]"
73 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ARG N -68.52 -8.52 -61.46 -69.81 -36.39 1.29 24 0 "[ . 1 . 2 . ]"
74 . 1 49 ALA C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -94.93 -34.93 -58.62 -58.63 -60.32 . . 0 "[ . 1 . 2 . ]"
75 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 LYS N -61.52 18.48 -22.70 -29.18 -30.62 . . 0 "[ . 1 . 2 . ]"
76 . 1 50 ARG C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -115.58 -55.58 -61.15 -55.15 -55.35 1.85 13 0 "[ . 1 . 2 . ]"
77 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 GLY N -46.15 33.85 -45.24 -46.56 -47.06 3.07 26 0 "[ . 1 . 2 . ]"
78 . 1 55 ASP C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -175.72 -75.72 -142.88 -150.90 -153.61 . . 0 "[ . 1 . 2 . ]"
79 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 ALA N 104.95 164.95 153.81 153.92 153.34 0.98 7 0 "[ . 1 . 2 . ]"
80 . 1 56 ILE C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -153.67 -93.67 -150.40 -155.85 -138.12 2.18 3 0 "[ . 1 . 2 . ]"
81 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 ILE N 95.93 155.93 133.20 122.36 145.87 . . 0 "[ . 1 . 2 . ]"
82 . 1 57 ALA C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -144.86 -84.86 -135.42 -145.22 -124.72 0.36 5 0 "[ . 1 . 2 . ]"
83 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 ILE N 96.32 156.32 96.77 92.16 117.91 4.16 26 0 "[ . 1 . 2 . ]"
84 . 1 58 ILE C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -165.91 -85.91 -91.32 -88.87 -90.39 3.72 8 0 "[ . 1 . 2 . ]"
85 . 1 59 ILE C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -144.57 -44.57 -60.37 -90.92 -45.28 . . 0 "[ . 1 . 2 . ]"
86 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 ASN N 76.91 176.91 86.77 73.65 129.25 3.26 22 0 "[ . 1 . 2 . ]"
87 . 1 61 VAL C 1 62 ASN N 1 62 ASN CA 1 62 ASN C -134.66 -54.66 -120.10 -130.28 -133.61 2.46 5 0 "[ . 1 . 2 . ]"
88 . 1 62 ASN C 1 63 LEU N 1 63 LEU CA 1 63 LEU C 179.34 -80.66 -144.30 176.57 -117.03 2.77 6 0 "[ . 1 . 2 . ]"
89 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 ASP N 93.16 -166.84 177.27 151.91 -168.67 . . 0 "[ . 1 . 2 . ]"
90 . 1 63 LEU C 1 64 ASP N 1 64 ASP CA 1 64 ASP C 24.99 84.99 50.66 58.19 55.10 . . 0 "[ . 1 . 2 . ]"
91 . 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 GLY N 14.99 74.99 23.42 14.53 46.38 0.46 3 0 "[ . 1 . 2 . ]"
92 . 1 70 PRO C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -93.41 -33.41 -84.63 -95.55 -68.34 2.14 13 0 "[ . 1 . 2 . ]"
93 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 ALA N -65.99 -5.99 -55.63 -68.86 -39.14 2.87 22 0 "[ . 1 . 2 . ]"
94 . 1 71 VAL C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -96.40 -36.40 -58.46 -71.34 -78.40 . . 0 "[ . 1 . 2 . ]"
95 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ASP N -58.19 1.81 -50.73 -56.68 -41.92 . . 0 "[ . 1 . 2 . ]"
96 . 1 72 ALA C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -93.14 -33.14 -54.74 -65.39 -44.98 . . 0 "[ . 1 . 2 . ]"
97 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 ILE N -67.45 -7.45 -53.69 -53.61 -53.72 . . 0 "[ . 1 . 2 . ]"
98 . 1 73 ASP C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -99.14 -39.14 -55.61 -54.06 -54.45 . . 0 "[ . 1 . 2 . ]"
99 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 LEU N -70.12 -10.12 -45.09 -47.85 -47.86 . . 0 "[ . 1 . 2 . ]"
100 . 1 74 ILE C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -95.62 -35.62 -54.54 -65.31 -46.68 . . 0 "[ . 1 . 2 . ]"
101 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 ALA N -69.14 -9.14 -24.35 -38.93 -12.38 . . 0 "[ . 1 . 2 . ]"
102 . 1 75 LEU C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -94.30 -34.30 -87.52 -95.94 -65.24 1.64 14 0 "[ . 1 . 2 . ]"
103 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 GLU N -66.33 -6.33 -39.35 -33.61 -38.49 0.67 22 0 "[ . 1 . 2 . ]"
104 . 1 76 ALA C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -98.81 -38.81 -59.28 -77.55 -39.22 . . 0 "[ . 1 . 2 . ]"
105 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 ARG N -56.53 3.47 -30.41 -56.82 -7.20 0.29 12 0 "[ . 1 . 2 . ]"
106 . 1 79 ASN C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -136.50 -76.50 -97.37 -132.05 -74.96 1.54 12 0 "[ . 1 . 2 . ]"
107 . 1 82 PHE C 1 83 ILE N 1 83 ILE CA 1 83 ILE C 179.11 -80.89 -169.93 -167.39 -169.50 0.95 6 0 "[ . 1 . 2 . ]"
108 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 PHE N 93.02 173.02 155.93 148.71 166.37 . . 0 "[ . 1 . 2 . ]"
109 . 1 83 ILE C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -155.01 -75.01 -155.02 -156.73 -148.60 1.72 7 0 "[ . 1 . 2 . ]"
110 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 ALA N 89.64 169.64 163.18 150.11 172.03 2.39 14 0 "[ . 1 . 2 . ]"
111 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 THR N 95.02 155.02 135.49 139.87 134.27 4.69 14 0 "[ . 1 . 2 . ]"
112 . 1 93 LEU C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -107.56 -47.56 -108.95 -112.42 -101.37 4.86 9 0 "[ . 1 . 2 . ]"
113 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 THR N 92.76 152.76 142.84 115.21 92.54 1.18 11 0 "[ . 1 . 2 . ]"
114 . 1 95 THR C 1 96 ARG N 1 96 ARG CA 1 96 ARG C -105.50 -45.50 -77.98 -80.34 -82.17 . . 0 "[ . 1 . 2 . ]"
115 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 TYR N -49.57 10.43 1.86 -17.08 11.11 0.68 9 0 "[ . 1 . 2 . ]"
116 . 1 101 PRO C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -150.71 -70.71 -118.04 -152.70 -71.12 1.99 5 0 "[ . 1 . 2 . ]"
117 . 1 103 LEU C 1 104 THR N 1 104 THR CA 1 104 THR C -119.51 -39.51 -110.47 -120.73 -121.14 3.55 10 0 "[ . 1 . 2 . ]"
118 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 SER N -72.12 7.88 5.83 -22.69 11.64 3.76 1 0 "[ . 1 . 2 . ]"
119 . 1 109 ASP C 1 110 SER N 1 110 SER CA 1 110 SER C -106.35 -26.35 -83.70 -106.41 -45.28 0.06 26 0 "[ . 1 . 2 . ]"
120 . 1 110 SER C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -94.55 -34.55 -37.85 -52.52 -33.35 1.20 26 0 "[ . 1 . 2 . ]"
121 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 LEU N -74.26 -14.26 -41.69 -44.78 -46.50 . . 0 "[ . 1 . 2 . ]"
122 . 1 111 GLU C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -94.96 -34.96 -53.46 -69.70 -33.92 1.04 14 0 "[ . 1 . 2 . ]"
123 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 GLU N -74.02 -14.02 -61.25 -74.00 -34.43 . . 0 "[ . 1 . 2 . ]"
124 . 1 112 LEU C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -94.94 -34.94 -50.09 -48.30 -50.05 . . 0 "[ . 1 . 2 . ]"
125 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 ALA N -74.13 -14.13 -39.50 -38.63 -44.97 . . 0 "[ . 1 . 2 . ]"
126 . 1 113 GLU C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -94.79 -34.79 -52.34 -67.45 -34.90 . . 0 "[ . 1 . 2 . ]"
127 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 VAL N -68.93 -8.93 -36.02 -47.70 -19.81 . . 0 "[ . 1 . 2 . ]"
128 . 1 114 ALA C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -104.95 -24.95 -105.45 -101.99 -103.48 4.27 13 0 "[ . 1 . 2 . ]"
129 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 LEU N -74.88 -14.88 -22.85 -15.04 -15.50 1.27 2 0 "[ . 1 . 2 . ]"
130 . 1 115 VAL C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -93.91 -33.91 -82.45 -91.78 -92.10 1.71 15 0 "[ . 1 . 2 . ]"
131 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 VAL N -67.90 -7.90 -24.95 -37.99 -40.63 1.50 17 0 "[ . 1 . 2 . ]"
132 . 1 116 LEU C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -96.22 -36.22 -67.65 -96.69 -35.78 0.47 9 0 "[ . 1 . 2 . ]"
133 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 GLN N -66.35 -6.35 -19.16 -5.30 -5.58 1.27 24 0 "[ . 1 . 2 . ]"
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