NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548536 |
2lxd   |
16779 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lxd
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 45
_TA_constraint_stats_list.Viol_count 504
_TA_constraint_stats_list.Viol_total 7307.03
_TA_constraint_stats_list.Viol_max 3.64
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.41
_TA_constraint_stats_list.Viol_average_violations_only 0.72
_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 PHI 1 4 LEU C 1 5 ARG N 1 5 ARG CA 1 5 ARG C -65.00 40.00 -59.47 -65.77 -65.79 1.24 5 0 "[ . 1 . 2]"
2 PHI 1 13 CYS C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -65.00 40.00 -66.04 -66.37 -65.67 1.37 9 0 "[ . 1 . 2]"
3 PHI 1 14 ALA C 1 15 SER N 1 15 SER CA 1 15 SER C -120.00 40.00 -94.33 -108.90 -89.01 . . 0 "[ . 1 . 2]"
4 PHI 1 17 ASP C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -120.00 40.00 -116.24 -120.26 -120.32 0.93 4 0 "[ . 1 . 2]"
5 PHI 1 18 LYS C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -65.00 40.00 -64.72 -66.03 -56.97 1.03 12 0 "[ . 1 . 2]"
6 PHI 1 19 ARG C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -120.00 40.00 -79.70 -80.46 -83.28 0.04 12 0 "[ . 1 . 2]"
7 PHI 1 26 THR C 1 27 MET N 1 27 MET CA 1 27 MET C -120.00 40.00 -105.37 -120.31 -93.45 0.31 3 0 "[ . 1 . 2]"
8 PHI 1 30 LYS C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -120.00 40.00 -120.51 -120.48 -120.50 0.83 18 0 "[ . 1 . 2]"
9 PHI 1 31 ASP C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -120.00 40.00 -109.53 -118.51 -99.52 . . 0 "[ . 1 . 2]"
10 PHI 1 32 LYS C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -120.00 40.00 -106.80 -101.65 -104.46 0.11 12 0 "[ . 1 . 2]"
11 PHI 1 34 TYR C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -65.00 40.00 -65.52 -65.13 -65.37 0.91 3 0 "[ . 1 . 2]"
12 PHI 1 35 HIS C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -65.00 40.00 -64.30 -65.29 -65.37 1.10 18 0 "[ . 1 . 2]"
13 PHI 1 36 LEU C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -65.00 40.00 -66.23 -66.79 -65.35 1.79 10 0 "[ . 1 . 2]"
14 PHI 1 37 GLU C 1 38 CYS N 1 38 CYS CA 1 38 CYS C -120.00 40.00 -87.44 -86.36 -88.05 . . 0 "[ . 1 . 2]"
15 PHI 1 39 PHE C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -120.00 40.00 -120.91 -123.64 -120.07 3.64 3 0 "[ . 1 . 2]"
16 PHI 1 40 LYS C 1 41 CYS N 1 41 CYS CA 1 41 CYS C -65.00 40.00 -66.14 -66.06 -66.11 1.38 10 0 "[ . 1 . 2]"
17 PHI 1 42 ALA C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -120.00 40.00 -107.63 -117.16 -99.32 . . 0 "[ . 1 . 2]"
18 PHI 1 43 ALA C 1 44 CYS N 1 44 CYS CA 1 44 CYS C -120.00 40.00 -107.82 -113.71 -95.39 . . 0 "[ . 1 . 2]"
19 PHI 1 45 GLN C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -65.00 40.00 -65.98 -65.99 -66.07 1.36 8 0 "[ . 1 . 2]"
20 PHI 1 46 LYS C 1 47 HIS N 1 47 HIS CA 1 47 HIS C -120.00 40.00 -98.63 -95.19 -96.36 . . 0 "[ . 1 . 2]"
21 PHI 1 48 PHE C 1 49 SER N 1 49 SER CA 1 49 SER C -120.00 40.00 -120.73 -121.59 -120.43 1.59 17 0 "[ . 1 . 2]"
22 PHI 1 49 SER C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -65.00 40.00 -65.65 -65.83 -65.32 0.83 12 0 "[ . 1 . 2]"
23 PHI 1 54 TYR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -120.00 40.00 -115.09 -109.19 -111.50 0.09 3 0 "[ . 1 . 2]"
24 PHI 1 55 LEU C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -120.00 40.00 -92.88 -110.28 -86.29 . . 0 "[ . 1 . 2]"
25 PHI 1 56 LEU C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -120.00 40.00 -90.96 -118.39 -86.24 . . 0 "[ . 1 . 2]"
26 PHI 1 58 ASN C 1 59 SER N 1 59 SER CA 1 59 SER C -120.00 40.00 -114.51 -108.44 -109.30 0.56 3 0 "[ . 1 . 2]"
27 PHI 1 59 SER C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -120.00 40.00 -119.22 -120.35 -120.37 3.09 16 0 "[ . 1 . 2]"
28 PHI 1 61 ILE C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -120.00 40.00 -120.21 -120.40 -120.47 1.08 3 0 "[ . 1 . 2]"
29 PHI 1 62 VAL C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -65.00 40.00 -65.02 -65.57 -65.85 1.26 1 0 "[ . 1 . 2]"
30 PHI 1 64 GLU C 1 65 GLN N 1 65 GLN CA 1 65 GLN C -65.00 40.00 -66.59 -67.16 -65.63 2.16 6 0 "[ . 1 . 2]"
31 PHI 1 66 ASP C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -65.00 40.00 -55.97 -59.32 -53.70 . . 0 "[ . 1 . 2]"
32 PHI 1 67 ILE C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -65.00 40.00 -60.76 -61.60 -61.61 0.42 18 0 "[ . 1 . 2]"
33 PHI 1 68 TYR C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -65.00 40.00 -64.87 -65.29 -65.39 0.70 3 0 "[ . 1 . 2]"
34 PHI 1 69 GLU C 1 70 TRP N 1 70 TRP CA 1 70 TRP C -65.00 40.00 -64.93 -65.55 -60.94 0.55 6 0 "[ . 1 . 2]"
35 PHI 1 71 THR C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -65.00 40.00 -64.43 -65.27 -65.37 1.09 3 0 "[ . 1 . 2]"
36 PHI 1 87 VAL C 1 88 MET N 1 88 MET CA 1 88 MET C -120.00 40.00 -118.36 -120.40 -108.51 0.40 7 0 "[ . 1 . 2]"
37 PHI 1 88 MET C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -120.00 40.00 -94.37 -90.69 -91.46 . . 0 "[ . 1 . 2]"
38 PHI 1 89 VAL C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -65.00 40.00 -64.55 -65.46 -65.51 0.69 7 0 "[ . 1 . 2]"
39 PHI 1 90 VAL C 1 91 GLY N 1 91 GLY CA 1 91 GLY C -65.00 40.00 -66.45 -66.64 -67.39 2.66 15 0 "[ . 1 . 2]"
40 PHI 1 91 GLY C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -65.00 40.00 -63.91 -67.00 -49.96 2.00 9 0 "[ . 1 . 2]"
41 PHI 1 93 PRO C 1 94 THR N 1 94 THR CA 1 94 THR C -120.00 40.00 -112.98 -120.44 -100.20 0.44 9 0 "[ . 1 . 2]"
42 PHI 1 94 THR C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -65.00 40.00 -63.40 -65.89 -65.89 1.65 13 0 "[ . 1 . 2]"
43 PHI 1 95 LEU C 1 96 MET N 1 96 MET CA 1 96 MET C -65.00 40.00 -16.64 40.73 -18.60 2.67 14 0 "[ . 1 . 2]"
44 PHI 1 113 ASN C 1 114 THR N 1 114 THR CA 1 114 THR C -120.00 40.00 -100.65 41.49 -85.58 1.99 10 0 "[ . 1 . 2]"
45 PHI 1 121 GLY C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -120.00 40.00 -109.28 -120.10 40.48 0.48 9 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 107
_TA_constraint_stats_list.Viol_count 428
_TA_constraint_stats_list.Viol_total 5321.23
_TA_constraint_stats_list.Viol_max 4.79
_TA_constraint_stats_list.Viol_rms 0.39
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 0.62
_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 PHI 1 11 GLY C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -144.90 -56.10 -77.55 -71.92 -73.66 4.12 12 0 "[ . 1 . 2]"
2 PSI 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 CYS N 108.80 158.10 156.37 122.92 160.45 2.35 10 0 "[ . 1 . 2]"
3 PHI 1 14 ALA C 1 15 SER N 1 15 SER CA 1 15 SER C -152.80 -52.40 -94.33 -108.90 -89.01 . . 0 "[ . 1 . 2]"
4 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 CYS N -53.70 -10.30 -49.70 -53.94 -39.02 0.24 14 0 "[ . 1 . 2]"
5 PHI 1 18 LYS C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -126.20 -36.00 -64.72 -66.03 -56.97 . . 0 "[ . 1 . 2]"
6 PSI 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 ILE N 92.40 155.60 125.77 107.44 155.85 0.25 12 0 "[ . 1 . 2]"
7 PHI 1 19 ARG C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -164.20 -44.50 -79.70 -80.46 -83.28 . . 0 "[ . 1 . 2]"
8 PSI 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 ARG N 99.60 159.30 110.62 98.41 98.37 2.28 20 0 "[ . 1 . 2]"
9 PHI 1 20 ILE C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -145.90 -42.80 -137.43 -147.67 -147.78 4.79 12 0 "[ . 1 . 2]"
10 PSI 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 ALA N 97.30 -175.00 173.75 166.87 159.89 1.26 3 0 "[ . 1 . 2]"
11 PHI 1 25 MET C 1 26 THR N 1 26 THR CA 1 26 THR C -154.70 -104.50 -122.32 -126.02 -132.74 2.96 17 0 "[ . 1 . 2]"
12 PSI 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 MET N 127.30 -174.10 165.05 127.11 -172.82 1.28 17 0 "[ . 1 . 2]"
13 PHI 1 27 MET C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -130.90 -72.70 -86.56 -105.95 -74.07 . . 0 "[ . 1 . 2]"
14 PSI 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 VAL N 109.10 148.50 117.90 108.44 130.73 0.66 9 0 "[ . 1 . 2]"
15 PHI 1 28 ARG C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -176.80 -44.30 -93.54 -103.94 -86.22 . . 0 "[ . 1 . 2]"
16 PSI 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 LYS N 96.90 -179.30 -179.82 -179.20 -179.22 0.44 19 0 "[ . 1 . 2]"
17 PHI 1 31 ASP C 1 32 LYS N 1 32 LYS CA 1 32 LYS C 175.10 -57.40 -109.53 -118.51 -99.52 . . 0 "[ . 1 . 2]"
18 PSI 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 VAL N 114.70 -172.70 147.88 131.84 156.23 . . 0 "[ . 1 . 2]"
19 PHI 1 32 LYS C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -143.40 -101.00 -106.80 -101.65 -104.46 0.25 3 0 "[ . 1 . 2]"
20 PSI 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 TYR N 112.50 169.70 143.59 131.98 151.66 . . 0 "[ . 1 . 2]"
21 PHI 1 33 VAL C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -162.00 -85.00 -128.83 -130.50 -131.72 . . 0 "[ . 1 . 2]"
22 PSI 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 HIS N 125.40 175.10 150.69 141.06 162.09 . . 0 "[ . 1 . 2]"
23 PHI 1 35 HIS C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -73.90 -52.10 -64.30 -65.29 -65.37 . . 0 "[ . 1 . 2]"
24 PSI 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 GLU N -57.90 -35.30 -47.08 -50.20 -44.07 . . 0 "[ . 1 . 2]"
25 PHI 1 36 LEU C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -74.50 -52.00 -66.23 -66.79 -65.35 . . 0 "[ . 1 . 2]"
26 PSI 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 CYS N -57.00 -7.00 -27.60 -33.95 -20.49 . . 0 "[ . 1 . 2]"
27 PHI 1 37 GLU C 1 38 CYS N 1 38 CYS CA 1 38 CYS C -121.50 -56.90 -87.44 -86.36 -88.05 . . 0 "[ . 1 . 2]"
28 PSI 1 38 CYS N 1 38 CYS CA 1 38 CYS C 1 39 PHE N -52.70 16.20 -3.13 -10.32 5.82 . . 0 "[ . 1 . 2]"
29 PHI 1 38 CYS C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -156.60 -48.10 -97.17 -133.96 -85.85 . . 0 "[ . 1 . 2]"
30 PSI 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 LYS N 56.00 152.50 58.02 63.05 62.10 3.53 3 0 "[ . 1 . 2]"
31 PHI 1 39 PHE C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -160.10 -67.00 -120.91 -123.64 -120.07 . . 0 "[ . 1 . 2]"
32 PSI 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 CYS N 109.60 -175.50 161.88 157.45 165.79 . . 0 "[ . 1 . 2]"
33 PHI 1 40 LYS C 1 41 CYS N 1 41 CYS CA 1 41 CYS C 168.10 -66.60 -66.14 -66.06 -66.11 0.69 13 0 "[ . 1 . 2]"
34 PSI 1 41 CYS N 1 41 CYS CA 1 41 CYS C 1 42 ALA N 104.10 146.50 146.74 139.55 147.50 1.00 1 0 "[ . 1 . 2]"
35 PHI 1 42 ALA C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -129.20 -55.60 -107.63 -117.16 -99.32 . . 0 "[ . 1 . 2]"
36 PSI 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 CYS N -50.60 -2.70 -47.76 -50.87 -38.04 0.27 3 0 "[ . 1 . 2]"
37 PHI 1 48 PHE C 1 49 SER N 1 49 SER CA 1 49 SER C -165.90 -39.60 -120.73 -121.59 -120.43 . . 0 "[ . 1 . 2]"
38 PSI 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 VAL N 110.50 -168.70 160.93 159.02 158.28 . . 0 "[ . 1 . 2]"
39 PHI 1 49 SER C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -97.30 -26.40 -65.65 -65.83 -65.32 . . 0 "[ . 1 . 2]"
40 PSI 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 GLY N 120.10 144.30 134.70 135.80 134.06 . . 0 "[ . 1 . 2]"
41 PHI 1 50 VAL C 1 51 GLY N 1 51 GLY CA 1 51 GLY C 78.20 107.90 106.85 96.44 108.11 0.21 10 0 "[ . 1 . 2]"
42 PSI 1 51 GLY N 1 51 GLY CA 1 51 GLY C 1 52 ASP N -33.90 6.10 -19.30 -34.03 6.49 0.39 7 0 "[ . 1 . 2]"
43 PHI 1 52 ASP C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -173.80 -72.60 -87.23 -86.11 -86.63 . . 0 "[ . 1 . 2]"
44 PSI 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 TYR N 122.30 171.70 138.20 135.84 131.84 . . 0 "[ . 1 . 2]"
45 PHI 1 53 ARG C 1 54 TYR N 1 54 TYR CA 1 54 TYR C -162.50 -99.30 -127.82 -137.97 -121.41 . . 0 "[ . 1 . 2]"
46 PSI 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 LEU N 127.70 -178.90 156.16 154.92 154.73 . . 0 "[ . 1 . 2]"
47 PHI 1 54 TYR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -165.60 -103.90 -115.09 -109.19 -111.50 . . 0 "[ . 1 . 2]"
48 PSI 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 LEU N 107.60 166.00 128.54 128.68 127.45 . . 0 "[ . 1 . 2]"
49 PHI 1 55 LEU C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -143.80 -75.80 -92.88 -110.28 -86.29 . . 0 "[ . 1 . 2]"
50 PSI 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 ILE N 101.00 148.60 111.12 105.74 115.65 . . 0 "[ . 1 . 2]"
51 PHI 1 56 LEU C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -153.60 -66.50 -90.96 -118.39 -86.24 . . 0 "[ . 1 . 2]"
52 PSI 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 ASN N 72.00 174.90 176.14 175.69 176.62 1.72 3 0 "[ . 1 . 2]"
53 PHI 1 57 ILE C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -76.80 -48.10 -48.15 -51.60 -47.71 0.39 3 0 "[ . 1 . 2]"
54 PSI 1 58 ASN N 1 58 ASN CA 1 58 ASN C 1 59 SER N -47.40 -7.40 -35.44 -38.42 -33.94 . . 0 "[ . 1 . 2]"
55 PHI 1 60 ASP C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -129.70 -84.30 -101.15 -120.16 -84.70 . . 0 "[ . 1 . 2]"
56 PSI 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 VAL N 111.60 155.50 140.22 142.73 141.80 . . 0 "[ . 1 . 2]"
57 PHI 1 61 ILE C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -149.10 -93.00 -120.21 -120.40 -120.47 . . 0 "[ . 1 . 2]"
58 PSI 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 CYS N 117.10 147.50 125.91 124.51 122.69 0.44 1 0 "[ . 1 . 2]"
59 PHI 1 63 CYS C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -72.10 -47.10 -61.43 -65.02 -58.14 . . 0 "[ . 1 . 2]"
60 PSI 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 GLN N -59.20 -19.20 -20.15 -23.33 -17.96 1.24 1 0 "[ . 1 . 2]"
61 PHI 1 64 GLU C 1 65 GLN N 1 65 GLN CA 1 65 GLN C -84.10 -48.10 -66.59 -67.16 -65.63 . . 0 "[ . 1 . 2]"
62 PSI 1 65 GLN N 1 65 GLN CA 1 65 GLN C 1 66 ASP N -77.10 15.70 -45.06 -42.27 -44.76 . . 0 "[ . 1 . 2]"
63 PHI 1 65 GLN C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -110.30 -35.00 -110.50 -110.44 -110.55 0.66 16 0 "[ . 1 . 2]"
64 PSI 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 ILE N -71.10 14.80 9.36 5.37 5.12 0.57 16 0 "[ . 1 . 2]"
65 PHI 1 66 ASP C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -76.60 -55.50 -55.97 -59.32 -53.70 1.80 1 0 "[ . 1 . 2]"
66 PSI 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 TYR N -58.10 -23.40 -51.66 -54.53 -43.93 . . 0 "[ . 1 . 2]"
67 PHI 1 67 ILE C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -68.40 -58.00 -60.76 -61.60 -61.61 0.12 17 0 "[ . 1 . 2]"
68 PSI 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 GLU N -53.60 -22.70 -52.47 -53.42 -53.68 0.21 1 0 "[ . 1 . 2]"
69 PHI 1 68 TYR C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -75.90 -54.30 -64.87 -65.29 -65.39 . . 0 "[ . 1 . 2]"
70 PSI 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 TRP N -55.50 -29.10 -40.06 -45.05 -28.98 0.12 3 0 "[ . 1 . 2]"
71 PHI 1 69 GLU C 1 70 TRP N 1 70 TRP CA 1 70 TRP C -70.20 -57.60 -64.93 -65.55 -60.94 . . 0 "[ . 1 . 2]"
72 PSI 1 70 TRP N 1 70 TRP CA 1 70 TRP C 1 71 THR N -56.80 -23.80 -49.91 -57.11 -42.19 0.31 3 0 "[ . 1 . 2]"
73 PHI 1 70 TRP C 1 71 THR N 1 71 THR CA 1 71 THR C -67.00 -56.80 -64.07 -61.53 -62.38 0.16 8 0 "[ . 1 . 2]"
74 PSI 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 LYS N -51.30 -30.80 -29.31 -29.49 -29.56 2.01 18 0 "[ . 1 . 2]"
75 PHI 1 71 THR C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -70.70 -55.30 -64.43 -65.27 -65.37 . . 0 "[ . 1 . 2]"
76 PSI 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 ILE N -56.60 -8.20 -41.32 -46.04 -37.43 . . 0 "[ . 1 . 2]"
77 PHI 1 72 LYS C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -83.80 -55.40 -84.57 -85.24 -83.97 1.44 16 0 "[ . 1 . 2]"
78 PSI 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 ASN N -47.00 -13.20 -46.59 -47.43 -47.51 1.08 10 0 "[ . 1 . 2]"
79 PHI 1 73 ILE C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -123.70 -69.00 -82.57 -93.17 -94.76 0.29 3 0 "[ . 1 . 2]"
80 PSI 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 GLY N -29.80 5.20 -21.68 -30.21 5.42 0.41 14 0 "[ . 1 . 2]"
81 PHI 1 85 GLY C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -157.50 -32.70 -112.17 -102.90 -111.51 . . 0 "[ . 1 . 2]"
82 PSI 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 VAL N 85.30 -176.80 140.85 147.48 146.24 . . 0 "[ . 1 . 2]"
83 PHI 1 86 ASP C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -136.50 -38.90 -114.74 -106.11 -112.45 . . 0 "[ . 1 . 2]"
84 PSI 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 MET N 106.30 151.20 140.26 129.00 150.66 . . 0 "[ . 1 . 2]"
85 PHI 1 88 MET C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -162.20 -86.50 -94.37 -90.69 -91.46 . . 0 "[ . 1 . 2]"
86 PSI 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 VAL N 96.10 159.20 148.33 147.30 146.01 . . 0 "[ . 1 . 2]"
87 PHI 1 89 VAL C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -94.00 -55.70 -64.55 -65.46 -65.51 . . 0 "[ . 1 . 2]"
88 PSI 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 GLY N 110.70 147.00 110.79 109.82 109.44 1.56 7 0 "[ . 1 . 2]"
89 PHI 1 91 GLY C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -141.20 -35.00 -63.91 -67.00 -49.96 . . 0 "[ . 1 . 2]"
90 PSI 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 PRO N 111.80 169.20 136.79 111.60 168.90 0.20 4 0 "[ . 1 . 2]"
91 PSI 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 THR N 133.80 170.20 150.51 147.14 141.55 0.28 17 0 "[ . 1 . 2]"
92 PHI 1 93 PRO C 1 94 THR N 1 94 THR CA 1 94 THR C -167.00 -102.60 -112.98 -120.44 -100.20 2.40 17 0 "[ . 1 . 2]"
93 PSI 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 LEU N 111.50 163.70 120.48 109.35 167.04 3.34 17 0 "[ . 1 . 2]"
94 PHI 1 94 THR C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -139.40 -40.90 -63.40 -65.89 -65.89 2.13 17 0 "[ . 1 . 2]"
95 PSI 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 MET N 98.40 151.10 128.82 127.31 126.54 2.17 14 0 "[ . 1 . 2]"
96 PHI 1 102 ASP C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -87.80 -49.60 -87.18 -88.19 -88.23 0.68 13 0 "[ . 1 . 2]"
97 PSI 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 ASP N -61.00 -19.00 -23.33 -41.32 -17.76 1.24 3 0 "[ . 1 . 2]"
98 PHI 1 103 GLU C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -84.40 -49.40 -82.96 -84.66 -57.40 0.26 12 0 "[ . 1 . 2]"
99 PSI 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 GLU N -75.60 12.10 -21.12 -23.80 -27.13 . . 0 "[ . 1 . 2]"
100 PHI 1 104 ASP C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -87.10 -48.60 -85.97 -87.23 -75.61 0.13 6 0 "[ . 1 . 2]"
101 PSI 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 ARG N -62.00 -2.90 -25.18 -39.61 -2.76 0.14 3 0 "[ . 1 . 2]"
102 PHI 1 105 GLU C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -93.50 -47.50 -90.12 -88.90 -89.61 0.02 7 0 "[ . 1 . 2]"
103 PSI 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 LEU N -72.70 13.20 -7.92 -15.11 -28.88 0.27 20 0 "[ . 1 . 2]"
104 PHI 1 106 ARG C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -95.50 -45.00 -92.80 -95.80 -82.02 0.30 3 0 "[ . 1 . 2]"
105 PSI 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 ILE N -79.00 15.40 -39.45 -40.77 -41.76 . . 0 "[ . 1 . 2]"
106 PHI 1 118 ALA C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -102.60 -42.80 -98.27 -102.78 -89.34 0.18 17 0 "[ . 1 . 2]"
107 PSI 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 ASN N -67.90 16.50 -39.83 -41.06 -41.49 . . 0 "[ . 1 . 2]"
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