NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573350 |
2m5s   |
18566 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m5s
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 15
_TA_constraint_stats_list.Viol_count 29
_TA_constraint_stats_list.Viol_total 1017.89
_TA_constraint_stats_list.Viol_max 2.35
_TA_constraint_stats_list.Viol_rms 0.34
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.17
_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 . 1 126 ASN N 1 126 ASN CA 1 126 ASN CB 1 126 ASN CG 155.00 -155.00 -177.06 170.82 -166.39 . . 0 "[ . 1 . 2 . 3]"
2 . 1 112 TYR N 1 112 TYR CA 1 112 TYR CB 1 112 TYR CG -85.00 -35.00 -64.90 -73.50 -52.50 . . 0 "[ . 1 . 2 . 3]"
3 . 1 105 LEU N 1 105 LEU CA 1 105 LEU CB 1 105 LEU CG 35.00 85.00 44.64 36.03 52.70 . . 0 "[ . 1 . 2 . 3]"
4 . 1 102 ASP N 1 102 ASP CA 1 102 ASP CB 1 102 ASP CG 155.00 -155.00 -176.13 177.19 -167.15 . . 0 "[ . 1 . 2 . 3]"
5 . 1 101 ASP N 1 101 ASP CA 1 101 ASP CB 1 101 ASP CG -85.00 -35.00 -74.88 -85.41 -59.46 0.41 20 0 "[ . 1 . 2 . 3]"
6 . 1 92 GLU N 1 92 GLU CA 1 92 GLU CB 1 92 GLU CG 35.00 85.00 52.24 53.49 53.14 . . 0 "[ . 1 . 2 . 3]"
7 . 1 90 HIS N 1 90 HIS CA 1 90 HIS CB 1 90 HIS CG 155.00 -155.00 -154.48 -161.17 -152.65 2.35 25 0 "[ . 1 . 2 . 3]"
8 . 1 80 PHE N 1 80 PHE CA 1 80 PHE CB 1 80 PHE CG -85.00 -35.00 -65.15 -67.82 -69.43 . . 0 "[ . 1 . 2 . 3]"
9 . 1 77 ASP N 1 77 ASP CA 1 77 ASP CB 1 77 ASP CG -85.00 -35.00 -63.45 -74.55 -57.05 . . 0 "[ . 1 . 2 . 3]"
10 . 1 76 GLN N 1 76 GLN CA 1 76 GLN CB 1 76 GLN CG 35.00 85.00 58.34 42.45 66.32 . . 0 "[ . 1 . 2 . 3]"
11 . 1 65 PHE N 1 65 PHE CA 1 65 PHE CB 1 65 PHE CG -85.00 -35.00 -63.39 -68.83 -70.01 . . 0 "[ . 1 . 2 . 3]"
12 . 1 64 LYS N 1 64 LYS CA 1 64 LYS CB 1 64 LYS CG 35.00 85.00 51.33 55.22 54.04 . . 0 "[ . 1 . 2 . 3]"
13 . 1 57 LYS N 1 57 LYS CA 1 57 LYS CB 1 57 LYS CG 155.00 -155.00 -169.75 -177.87 176.96 2.10 5 0 "[ . 1 . 2 . 3]"
14 . 1 41 PHE N 1 41 PHE CA 1 41 PHE CB 1 41 PHE CG -85.00 -35.00 -58.56 -71.48 -51.30 . . 0 "[ . 1 . 2 . 3]"
15 . 1 21 PHE N 1 21 PHE CA 1 21 PHE CB 1 21 PHE CG -85.00 -35.00 -57.61 -58.13 -59.01 . . 0 "[ . 1 . 2 . 3]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 152
_TA_constraint_stats_list.Viol_count 822
_TA_constraint_stats_list.Viol_total 156321.06
_TA_constraint_stats_list.Viol_max 86.76
_TA_constraint_stats_list.Viol_rms 7.44
_TA_constraint_stats_list.Viol_average_all_restraints 1.14
_TA_constraint_stats_list.Viol_average_violations_only 6.34
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 12 GLY C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -102.00 -62.00 -97.01 -103.07 -103.23 1.37 1 0 "[ . 1 . 2 . 3]"
2 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 THR N 68.90 -166.70 147.22 139.58 161.21 . . 0 "[ . 1 . 2 . 3]"
3 . 1 13 ILE C 1 14 THR N 1 14 THR CA 1 14 THR C -163.10 -98.30 -108.51 -131.50 -95.29 3.01 7 0 "[ . 1 . 2 . 3]"
4 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 VAL N 143.30 -176.70 156.33 153.13 151.69 0.08 16 0 "[ . 1 . 2 . 3]"
5 . 1 14 THR C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -120.00 -47.40 -68.93 -61.53 -62.70 . . 0 "[ . 1 . 2 . 3]"
6 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 SER N 109.80 149.80 151.22 151.50 151.45 3.17 22 0 "[ . 1 . 2 . 3]"
7 . 1 15 VAL C 1 16 SER N 1 16 SER CA 1 16 SER C -137.40 -70.20 -110.82 -110.87 -112.30 . . 0 "[ . 1 . 2 . 3]"
8 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 ALA N 122.20 165.00 155.62 130.56 166.33 1.33 8 0 "[ . 1 . 2 . 3]"
9 . 1 17 GLY C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -126.90 -41.50 -76.89 -79.37 -82.59 . . 0 "[ . 1 . 2 . 3]"
10 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 GLN N 110.80 151.20 127.95 110.12 146.58 0.68 8 0 "[ . 1 . 2 . 3]"
11 . 1 18 ALA C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -171.40 -97.40 -129.52 -133.96 -141.38 . . 0 "[ . 1 . 2 . 3]"
12 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 SER N 127.50 173.50 130.46 126.04 150.47 1.46 19 0 "[ . 1 . 2 . 3]"
13 . 1 19 GLN C 1 20 SER N 1 20 SER CA 1 20 SER C -168.20 -74.80 -123.23 -122.97 -125.27 . . 0 "[ . 1 . 2 . 3]"
14 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 PHE N 103.60 176.80 117.30 119.83 114.61 2.40 8 0 "[ . 1 . 2 . 3]"
15 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 LYS N 103.20 -171.20 143.51 113.53 167.92 . . 0 "[ . 1 . 2 . 3]"
16 . 1 21 PHE C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -145.40 -64.80 -128.33 -145.03 -107.51 . . 0 "[ . 1 . 2 . 3]"
17 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 PRO N 50.30 172.30 132.27 111.11 146.56 . . 0 "[ . 1 . 2 . 3]"
18 . 1 22 LYS C 1 23 PRO N 1 23 PRO CA 1 23 PRO C -90.40 -50.40 -84.24 -92.08 -65.16 1.68 5 0 "[ . 1 . 2 . 3]"
19 . 1 23 PRO N 1 23 PRO CA 1 23 PRO C 1 24 VAL N 121.40 -178.60 141.85 118.02 -178.02 3.38 24 0 "[ . 1 . 2 . 3]"
20 . 1 23 PRO C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -155.50 -53.70 -82.04 -70.60 -71.76 . . 0 "[ . 1 . 2 . 3]"
21 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 ALA N 85.20 178.20 108.16 83.27 140.90 1.93 24 0 "[ . 1 . 2 . 3]"
22 . 1 24 VAL C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -152.60 -42.60 -97.38 -136.41 -66.18 . . 0 "[ . 1 . 2 . 3]"
23 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 TRP N 82.60 -159.00 123.08 79.73 -160.79 2.87 25 0 "[ . 1 . 2 . 3]"
24 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 LEU N 103.80 -153.40 125.78 112.25 108.17 2.18 14 0 "[ . 1 . 2 . 3]"
25 . 1 29 ASP C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -87.50 -47.50 -75.31 -65.16 -67.81 2.06 14 0 "[ . 1 . 2 . 3]"
26 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 ASP N -54.90 -5.90 -41.01 -32.19 -37.78 0.95 11 0 "[ . 1 . 2 . 3]"
27 . 1 38 ASP C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -93.30 -38.30 -80.78 -83.20 -87.77 1.25 18 0 "[ . 1 . 2 . 3]"
28 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 ARG N -50.80 2.80 -24.77 -52.33 -53.65 2.85 1 0 "[ . 1 . 2 . 3]"
29 . 1 39 ASN C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -110.20 -48.80 -85.44 -96.87 -99.27 1.53 5 0 "[ . 1 . 2 . 3]"
30 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 THR N 106.90 158.70 124.07 117.19 115.97 . . 0 "[ . 1 . 2 . 3]"
31 . 1 42 ALA C 1 43 THR N 1 43 THR CA 1 43 THR C -133.60 -80.80 -92.39 -103.63 -83.22 . . 0 "[ . 1 . 2 . 3]"
32 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 VAL N 97.60 139.60 104.26 101.26 100.39 0.15 17 0 "[ . 1 . 2 . 3]"
33 . 1 43 THR C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -151.20 -83.40 -86.50 -98.08 -81.98 1.42 4 0 "[ . 1 . 2 . 3]"
34 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 THR N 93.10 157.90 121.31 114.18 126.81 . . 0 "[ . 1 . 2 . 3]"
35 . 1 44 VAL C 1 45 THR N 1 45 THR CA 1 45 THR C -128.50 -84.90 -92.30 -92.90 -93.40 . . 0 "[ . 1 . 2 . 3]"
36 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 LEU N 106.20 146.20 107.72 106.70 106.43 0.96 15 0 "[ . 1 . 2 . 3]"
37 . 1 45 THR C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -149.00 -52.20 -124.78 -132.78 -121.04 . . 0 "[ . 1 . 2 . 3]"
38 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 SER N 133.80 -162.60 167.10 160.62 176.03 . . 0 "[ . 1 . 2 . 3]"
39 . 1 47 SER C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -133.80 -33.80 -137.19 -138.52 -135.77 4.72 12 0 "[ . 1 . 2 . 3]"
40 . 1 48 ALA C 1 49 THR N 1 49 THR CA 1 49 THR C -157.10 -57.10 -129.22 -127.96 -128.90 . . 0 "[ . 1 . 2 . 3]"
41 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 THR N -28.20 33.00 25.65 24.69 24.55 . . 0 "[ . 1 . 2 . 3]"
42 . 1 49 THR C 1 50 THR N 1 50 THR CA 1 50 THR C -82.50 -42.50 -79.47 -75.40 -76.64 1.70 28 0 "[ . 1 . 2 . 3]"
43 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 GLY N 116.10 156.10 143.35 131.79 153.44 . . 0 "[ . 1 . 2 . 3]"
44 . 1 50 THR C 1 51 GLY N 1 51 GLY CA 1 51 GLY C 65.10 112.30 98.68 104.90 103.34 0.24 3 0 "[ . 1 . 2 . 3]"
45 . 1 51 GLY N 1 51 GLY CA 1 51 GLY C 1 52 MET N -39.10 23.70 -10.78 -29.50 18.48 . . 0 "[ . 1 . 2 . 3]"
46 . 1 51 GLY C 1 52 MET N 1 52 MET CA 1 52 MET C -158.30 -45.50 -93.89 -123.22 -69.66 . . 0 "[ . 1 . 2 . 3]"
47 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 LYS N 68.80 -153.00 147.13 132.84 161.25 . . 0 "[ . 1 . 2 . 3]"
48 . 1 52 MET C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -153.50 -106.90 -142.23 -155.00 -129.75 1.50 16 0 "[ . 1 . 2 . 3]"
49 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 ARG N 133.50 -176.70 155.69 140.36 178.99 . . 0 "[ . 1 . 2 . 3]"
50 . 1 53 LYS C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -73.40 -33.40 -54.03 -46.34 -49.71 . . 0 "[ . 1 . 2 . 3]"
51 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 GLY N 114.70 154.70 125.78 114.03 144.66 0.67 8 0 "[ . 1 . 2 . 3]"
52 . 1 54 ARG C 1 55 GLY N 1 55 GLY CA 1 55 GLY C 74.80 114.80 101.14 102.86 99.60 1.53 23 0 "[ . 1 . 2 . 3]"
53 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 ASP N -43.10 18.10 11.36 -10.63 19.80 1.70 14 0 "[ . 1 . 2 . 3]"
54 . 1 56 ASP C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -152.10 -82.10 -118.47 -141.45 -87.71 . . 0 "[ . 1 . 2 . 3]"
55 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ILE N 118.60 178.60 116.71 117.06 116.75 3.44 13 0 "[ . 1 . 2 . 3]"
56 . 1 57 LYS C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -153.50 -113.50 -113.98 -117.91 -120.21 2.95 16 0 "[ . 1 . 2 . 3]"
57 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 SER N 140.80 -179.20 140.42 138.69 151.42 2.11 7 0 "[ . 1 . 2 . 3]"
58 . 1 58 ILE C 1 59 SER N 1 59 SER CA 1 59 SER C -173.40 -102.20 -123.41 -140.41 -112.61 . . 0 "[ . 1 . 2 . 3]"
59 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 PHE N 116.80 171.80 138.44 129.51 153.81 . . 0 "[ . 1 . 2 . 3]"
60 . 1 59 SER C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -161.30 -82.30 -102.56 -105.97 -107.00 . . 0 "[ . 1 . 2 . 3]"
61 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 ALA N 112.30 174.70 111.91 110.33 119.95 1.97 7 0 "[ . 1 . 2 . 3]"
62 . 1 60 PHE C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -74.30 -34.30 -66.74 -74.15 -59.82 . . 0 "[ . 1 . 2 . 3]"
63 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 GLY N 110.70 150.70 118.11 117.46 116.75 . . 0 "[ . 1 . 2 . 3]"
64 . 1 61 ALA C 1 62 GLY N 1 62 GLY CA 1 62 GLY C 71.60 111.60 109.43 111.79 111.26 2.07 28 0 "[ . 1 . 2 . 3]"
65 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 VAL N -33.90 19.90 -28.86 -27.93 -31.15 2.29 3 0 "[ . 1 . 2 . 3]"
66 . 1 62 GLY C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -129.80 -35.60 -94.07 -115.53 -77.60 . . 0 "[ . 1 . 2 . 3]"
67 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 LYS N 105.10 159.30 125.37 127.85 124.68 . . 0 "[ . 1 . 2 . 3]"
68 . 1 63 VAL C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -161.90 -89.10 -144.43 -144.25 -147.11 0.32 13 0 "[ . 1 . 2 . 3]"
69 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 PHE N 128.80 177.60 162.16 151.41 179.73 2.13 26 0 "[ . 1 . 2 . 3]"
70 . 1 64 LYS C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -109.70 -69.70 -77.24 -84.93 -68.56 1.14 26 0 "[ . 1 . 2 . 3]"
71 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 LEU N 103.90 172.70 154.25 115.45 174.89 2.19 26 0 "[ . 1 . 2 . 3]"
72 . 1 69 MET C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -101.40 -49.80 -78.07 -66.28 -69.06 0.66 17 0 "[ . 1 . 2 . 3]"
73 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LYS N -55.40 0.00 -42.28 -56.64 -14.16 1.24 25 0 "[ . 1 . 2 . 3]"
74 . 1 76 GLN C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -94.30 -41.10 -74.97 -69.63 -71.14 1.30 19 0 "[ . 1 . 2 . 3]"
75 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ALA N 104.40 166.20 160.05 139.80 168.49 2.29 16 0 "[ . 1 . 2 . 3]"
76 . 1 79 THR C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -151.10 -96.30 -120.54 -133.78 -96.03 0.27 27 0 "[ . 1 . 2 . 3]"
77 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 SER N 122.50 172.10 149.24 151.28 150.78 . . 0 "[ . 1 . 2 . 3]"
78 . 1 80 PHE C 1 81 SER N 1 81 SER CA 1 81 SER C -159.30 -40.10 -92.71 -92.29 -94.88 . . 0 "[ . 1 . 2 . 3]"
79 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 VAL N 109.70 167.10 127.77 125.50 125.06 . . 0 "[ . 1 . 2 . 3]"
80 . 1 81 SER C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -101.80 -61.80 -77.13 -69.85 -71.67 . . 0 "[ . 1 . 2 . 3]"
81 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 VAL N 101.60 147.00 134.26 121.50 143.72 . . 0 "[ . 1 . 2 . 3]"
82 . 1 82 VAL C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -105.30 -65.30 -98.19 -101.61 -103.33 0.46 13 0 "[ . 1 . 2 . 3]"
83 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ARG N -63.00 -23.00 -36.34 -53.05 -24.55 . . 0 "[ . 1 . 2 . 3]"
84 . 1 83 VAL C 1 84 ARG N 1 84 ARG CA 1 84 ARG C 175.70 -121.50 -164.04 -157.99 -158.82 . . 0 "[ . 1 . 2 . 3]"
85 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 VAL N 109.30 165.10 138.30 128.06 146.82 . . 0 "[ . 1 . 2 . 3]"
86 . 1 84 ARG C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -109.20 -69.20 -90.74 -88.32 -90.14 . . 0 "[ . 1 . 2 . 3]"
87 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 VAL N 88.10 140.70 110.40 114.23 112.19 . . 0 "[ . 1 . 2 . 3]"
88 . 1 85 VAL C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -77.10 -37.10 -75.54 -76.54 -77.19 1.44 21 0 "[ . 1 . 2 . 3]"
89 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 ASP N -58.30 -18.30 -58.04 -59.17 -59.29 1.58 5 0 "[ . 1 . 2 . 3]"
90 . 1 86 VAL C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -128.20 -48.20 -120.48 -129.23 -98.67 1.03 5 0 "[ . 1 . 2 . 3]"
91 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 GLY N -26.00 28.80 -5.60 -14.50 13.92 . . 0 "[ . 1 . 2 . 3]"
92 . 1 87 ASP C 1 88 GLY N 1 88 GLY CA 1 88 GLY C 42.00 82.00 76.63 77.60 75.94 2.08 19 0 "[ . 1 . 2 . 3]"
93 . 1 88 GLY N 1 88 GLY CA 1 88 GLY C 1 89 THR N 16.30 56.30 13.13 12.98 12.88 4.91 29 0 "[ . 1 . 2 . 3]"
94 . 1 90 HIS C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -166.20 -120.80 -119.17 -119.83 -118.35 2.45 15 0 "[ . 1 . 2 . 3]"
95 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 GLU N 126.00 176.40 162.18 150.98 169.89 . . 0 "[ . 1 . 2 . 3]"
96 . 1 91 VAL C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -143.80 -93.00 -120.51 -121.28 -122.77 . . 0 "[ . 1 . 2 . 3]"
97 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 ILE N 111.40 169.00 122.23 126.11 123.36 . . 0 "[ . 1 . 2 . 3]"
98 . 1 92 GLU C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -150.30 -110.30 -121.12 -133.94 -111.83 . . 0 "[ . 1 . 2 . 3]"
99 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 THR N 138.10 178.10 171.31 171.59 171.21 0.25 6 0 "[ . 1 . 2 . 3]"
100 . 1 93 ILE C 1 94 THR N 1 94 THR CA 1 94 THR C -154.10 -113.70 -151.14 -152.35 -153.41 1.09 22 0 "[ . 1 . 2 . 3]"
101 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 PRO N 120.50 169.90 142.52 138.34 147.06 . . 0 "[ . 1 . 2 . 3]"
102 . 1 94 THR C 1 95 PRO N 1 95 PRO CA 1 95 PRO C -92.30 -52.30 -74.93 -83.04 -69.02 . . 0 "[ . 1 . 2 . 3]"
103 . 1 95 PRO N 1 95 PRO CA 1 95 PRO C 1 96 LYS N 124.30 179.10 179.70 176.08 -178.94 1.96 25 0 "[ . 1 . 2 . 3]"
104 . 1 95 PRO C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -130.20 -64.40 -82.03 -92.26 -70.81 . . 0 "[ . 1 . 2 . 3]"
105 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 PRO N 75.20 -164.20 123.92 113.64 132.10 . . 0 "[ . 1 . 2 . 3]"
106 . 1 96 LYS C 1 97 PRO N 1 97 PRO CA 1 97 PRO C -87.00 -47.00 -70.35 -78.85 -62.14 . . 0 "[ . 1 . 2 . 3]"
107 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 VAL N 110.10 168.70 110.03 107.13 121.80 2.97 13 0 "[ . 1 . 2 . 3]"
108 . 1 97 PRO C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -172.90 -52.50 -121.67 -119.39 -120.92 . . 0 "[ . 1 . 2 . 3]"
109 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 ALA N 81.20 172.20 131.19 129.28 128.96 . . 0 "[ . 1 . 2 . 3]"
110 . 1 98 VAL C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -157.00 -44.80 -85.87 -95.32 -77.26 . . 0 "[ . 1 . 2 . 3]"
111 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 LEU N 108.30 -171.50 132.29 115.80 143.70 . . 0 "[ . 1 . 2 . 3]"
112 . 1 99 ALA C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -80.50 -40.50 -71.28 -77.74 -80.62 0.50 27 0 "[ . 1 . 2 . 3]"
113 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 ASP N -50.80 -10.80 -28.26 -26.99 -27.05 . . 0 "[ . 1 . 2 . 3]"
114 . 1 100 LEU C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -121.60 -54.20 -90.70 -100.31 -77.70 . . 0 "[ . 1 . 2 . 3]"
115 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 ASP N -28.80 24.60 13.62 -2.04 -10.48 1.40 22 0 "[ . 1 . 2 . 3]"
116 . 1 102 ASP C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -82.40 -42.40 -83.86 -84.80 -82.68 2.40 25 0 "[ . 1 . 2 . 3]"
117 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 SER N -56.30 1.90 -6.87 -19.62 3.29 1.39 19 0 "[ . 1 . 2 . 3]"
118 . 1 103 VAL C 1 104 SER N 1 104 SER CA 1 104 SER C -125.30 -70.50 -92.89 -125.78 -69.66 0.84 25 0 "[ . 1 . 2 . 3]"
119 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 LEU N -64.50 34.30 -9.27 -46.61 34.89 0.59 13 0 "[ . 1 . 2 . 3]"
120 . 1 105 LEU C 1 106 SER N 1 106 SER CA 1 106 SER C -133.10 -33.70 -94.27 -116.36 -80.12 . . 0 "[ . 1 . 2 . 3]"
121 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 PRO N 98.40 -166.80 161.51 157.42 154.92 . . 0 "[ . 1 . 2 . 3]"
122 . 1 106 SER C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -72.40 -32.40 -42.22 -39.97 -40.73 . . 0 "[ . 1 . 2 . 3]"
123 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 GLU N -57.30 -17.30 -49.55 -58.08 -36.07 0.78 9 0 "[ . 1 . 2 . 3]"
124 . 1 107 PRO C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -82.80 -42.80 -62.99 -74.20 -51.33 . . 0 "[ . 1 . 2 . 3]"
125 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 GLN N -54.20 -14.20 -34.44 -41.53 -45.68 . . 0 "[ . 1 . 2 . 3]"
126 . 1 108 GLU C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -84.80 -44.80 -69.84 -81.27 -61.15 . . 0 "[ . 1 . 2 . 3]"
127 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 ARG N -62.40 -22.40 -32.49 -45.98 -23.88 . . 0 "[ . 1 . 2 . 3]"
128 . 1 109 GLN C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -78.80 -38.80 -69.93 -78.76 -60.86 . . 0 "[ . 1 . 2 . 3]"
129 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 ALA N -70.20 -6.80 -24.21 -28.73 -31.09 . . 0 "[ . 1 . 2 . 3]"
130 . 1 110 ARG C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -90.00 -50.00 -70.37 -80.68 -63.54 . . 0 "[ . 1 . 2 . 3]"
131 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 12 GLY N -51.10 2.70 44.83 26.34 56.56 53.86 9 30 [*****-**+*********************]
132 . 1 111 ALA C 1 12 GLY N 1 12 GLY CA 1 12 GLY C -128.40 -67.80 -79.34 -90.48 -92.22 14.92 26 5 "[ * . * 1 *. - .+ 3]"
133 . 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 ILE N -34.20 27.60 50.36 31.27 76.06 48.46 4 29 "[***+************** ****-******]"
134 . 1 14 THR C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -162.10 -102.10 120.15 111.14 127.06 86.76 18 30 [*****************+*********-**]
135 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 SER N 126.30 -174.70 144.87 131.44 164.10 . . 0 "[ . 1 . 2 . 3]"
136 . 1 117 THR C 1 118 SER N 1 118 SER CA 1 118 SER C -161.90 -31.50 -77.16 -86.95 -68.22 . . 0 "[ . 1 . 2 . 3]"
137 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 LEU N 137.50 -168.30 167.80 170.33 169.66 . . 0 "[ . 1 . 2 . 3]"
138 . 1 118 SER C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -141.00 -37.00 -71.92 -74.91 -75.86 . . 0 "[ . 1 . 2 . 3]"
139 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 ALA N 105.60 157.80 104.34 101.96 115.50 3.64 18 0 "[ . 1 . 2 . 3]"
140 . 1 119 LEU C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -151.40 -80.60 -84.51 -90.82 -91.51 1.62 20 0 "[ . 1 . 2 . 3]"
141 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 ASP N 93.60 -141.40 174.93 156.82 -170.88 . . 0 "[ . 1 . 2 . 3]"
142 . 1 122 ALA C 1 123 MET N 1 123 MET CA 1 123 MET C -124.40 -65.80 -105.27 -100.07 -101.33 0.71 17 0 "[ . 1 . 2 . 3]"
143 . 1 124 ALA C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -134.20 -92.60 -108.68 -104.75 -108.30 0.24 24 0 "[ . 1 . 2 . 3]"
144 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 ASN N 105.50 149.10 115.60 112.82 111.64 0.49 15 0 "[ . 1 . 2 . 3]"
145 . 1 125 VAL C 1 126 ASN N 1 126 ASN CA 1 126 ASN C -159.60 -67.80 -130.25 -160.52 -118.77 0.92 30 0 "[ . 1 . 2 . 3]"
146 . 1 126 ASN N 1 126 ASN CA 1 126 ASN C 1 127 ILE N 110.90 155.70 138.56 135.20 134.52 . . 0 "[ . 1 . 2 . 3]"
147 . 1 126 ASN C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -122.50 -75.10 -90.27 -102.84 -76.59 . . 0 "[ . 1 . 2 . 3]"
148 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 LEU N 82.70 170.50 126.71 130.73 130.08 . . 0 "[ . 1 . 2 . 3]"
149 . 1 127 ILE C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -126.80 -54.40 -80.80 -97.11 -69.60 . . 0 "[ . 1 . 2 . 3]"
150 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 ASN N 112.50 160.50 125.20 111.10 154.17 1.40 6 0 "[ . 1 . 2 . 3]"
151 . 1 128 LEU C 1 129 ASN N 1 129 ASN CA 1 129 ASN C -158.50 -44.10 -97.56 -139.76 -71.22 . . 0 "[ . 1 . 2 . 3]"
152 . 1 129 ASN N 1 129 ASN CA 1 129 ASN C 1 130 VAL N 78.20 178.80 108.32 138.52 128.95 0.72 3 0 "[ . 1 . 2 . 3]"
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