NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
546269 |
2rsd   |
11469 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rsd
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 82
_TA_constraint_stats_list.Viol_count 223
_TA_constraint_stats_list.Viol_total 3328.71
_TA_constraint_stats_list.Viol_max 4.23
_TA_constraint_stats_list.Viol_rms 0.39
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 0.75
_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 2 SER C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -138.00 -42.00 -106.75 -114.28 -120.93 0.12 9 0 "[ . 1 . 2]"
2 PSI 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 SER N -57.00 35.00 -6.43 32.27 30.53 . . 0 "[ . 1 . 2]"
3 PHI 1 4 SER C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -138.00 -42.00 -93.53 -80.36 -94.66 . . 0 "[ . 1 . 2]"
4 PSI 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 GLN N 94.00 178.00 91.47 89.77 92.38 4.23 11 0 "[ . 1 . 2]"
5 PHI 1 5 PHE C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -121.00 -53.00 -69.86 -86.92 -58.74 . . 0 "[ . 1 . 2]"
6 PSI 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 PRO N 100.00 168.00 151.93 135.81 154.17 . . 0 "[ . 1 . 2]"
7 PHI 1 7 PRO C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -140.00 -56.00 -113.79 -118.58 -106.34 . . 0 "[ . 1 . 2]"
8 PSI 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 ALA N -56.00 52.00 -20.25 -22.19 -23.04 . . 0 "[ . 1 . 2]"
9 PHI 1 8 GLU C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -153.00 -25.00 -123.49 -121.26 -126.19 . . 0 "[ . 1 . 2]"
10 PSI 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 LYS N 81.00 -171.00 84.37 86.39 85.52 0.30 18 0 "[ . 1 . 2]"
11 PHI 1 9 ALA C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -166.00 -62.00 -117.97 -119.08 -119.99 . . 0 "[ . 1 . 2]"
12 PSI 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 VAL N 88.00 156.00 109.46 106.72 113.54 . . 0 "[ . 1 . 2]"
13 PHI 1 10 LYS C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -122.00 -82.00 -81.56 -81.68 -81.88 1.21 18 0 "[ . 1 . 2]"
14 PSI 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 ARG N 93.00 149.00 106.65 107.96 107.44 . . 0 "[ . 1 . 2]"
15 PHI 1 11 VAL C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -173.00 -57.00 -127.67 -133.65 -124.67 . . 0 "[ . 1 . 2]"
16 PSI 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 CYS N 93.00 137.00 91.79 91.27 92.17 1.73 19 0 "[ . 1 . 2]"
17 PHI 1 12 ARG C 1 13 CYS N 1 13 CYS CA 1 13 CYS C -139.00 -59.00 -108.91 -110.60 -110.84 . . 0 "[ . 1 . 2]"
18 PSI 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 ILE N 81.00 -159.00 157.45 157.23 157.22 . . 0 "[ . 1 . 2]"
19 PHI 1 13 CYS C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -132.00 -56.00 -59.03 -59.07 -59.09 . . 0 "[ . 1 . 2]"
20 PSI 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 CYS N -59.00 1.00 -22.02 -21.98 -22.09 . . 0 "[ . 1 . 2]"
21 PHI 1 22 ASP C 1 23 SER N 1 23 SER CA 1 23 SER C -163.00 -59.00 -164.17 -165.40 -163.60 2.40 10 0 "[ . 1 . 2]"
22 PSI 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 MET N 74.00 170.00 126.51 124.52 132.16 . . 0 "[ . 1 . 2]"
23 PHI 1 23 SER C 1 24 MET N 1 24 MET CA 1 24 MET C -166.00 -70.00 -102.51 -100.76 -101.08 . . 0 "[ . 1 . 2]"
24 PSI 1 24 MET N 1 24 MET CA 1 24 MET C 1 25 ILE N 108.00 -176.00 161.54 159.55 159.48 . . 0 "[ . 1 . 2]"
25 PHI 1 24 MET C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -150.00 -110.00 -149.80 -150.28 -150.33 0.40 14 0 "[ . 1 . 2]"
26 PSI 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 GLN N 98.00 154.00 135.46 128.88 140.32 . . 0 "[ . 1 . 2]"
27 PHI 1 25 ILE C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -139.00 -63.00 -88.84 -88.62 -89.77 . . 0 "[ . 1 . 2]"
28 PSI 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 CYS N 83.00 155.00 143.99 138.64 151.73 . . 0 "[ . 1 . 2]"
29 PHI 1 29 ASP C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -80.00 -40.00 -59.74 -58.66 -58.75 . . 0 "[ . 1 . 2]"
30 PSI 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 ARG N -53.00 -1.00 -23.07 -22.95 -23.25 . . 0 "[ . 1 . 2]"
31 PHI 1 34 VAL C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -162.00 -74.00 -89.16 -88.27 -89.42 . . 0 "[ . 1 . 2]"
32 PSI 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 GLN N 113.00 -171.00 142.90 138.03 147.91 . . 0 "[ . 1 . 2]"
33 PHI 1 35 TRP C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -161.00 -101.00 -140.69 -140.24 -142.90 . . 0 "[ . 1 . 2]"
34 PSI 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 HIS N 117.00 165.00 162.55 159.63 158.93 0.65 16 0 "[ . 1 . 2]"
35 PHI 1 36 GLN C 1 37 HIS N 1 37 HIS CA 1 37 HIS C -108.00 -44.00 -79.18 -83.64 -71.51 . . 0 "[ . 1 . 2]"
36 PSI 1 37 HIS N 1 37 HIS CA 1 37 HIS C 1 38 LEU N 98.00 146.00 115.82 112.30 122.19 . . 0 "[ . 1 . 2]"
37 PHI 1 37 HIS C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -79.00 -39.00 -54.09 -58.22 -51.50 . . 0 "[ . 1 . 2]"
38 PSI 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 ASN N -58.00 -14.00 -41.53 -41.83 -41.98 . . 0 "[ . 1 . 2]"
39 PHI 1 38 LEU C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -85.00 -45.00 -64.07 -75.97 -60.21 . . 0 "[ . 1 . 2]"
40 PSI 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 CYS N -57.00 3.00 -25.08 -30.54 -31.03 . . 0 "[ . 1 . 2]"
41 PHI 1 39 ASN C 1 40 CYS N 1 40 CYS CA 1 40 CYS C -91.00 -47.00 -84.79 -91.77 -76.15 0.77 13 0 "[ . 1 . 2]"
42 PSI 1 40 CYS N 1 40 CYS CA 1 40 CYS C 1 41 VAL N -58.00 -14.00 -32.43 -35.75 -25.95 . . 0 "[ . 1 . 2]"
43 PHI 1 40 CYS C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -145.00 -73.00 -100.58 -99.55 -99.61 . . 0 "[ . 1 . 2]"
44 PSI 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 LEU N -39.00 13.00 13.15 8.59 14.16 1.16 1 0 "[ . 1 . 2]"
45 PHI 1 41 VAL C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -129.00 -53.00 -95.98 -100.29 -100.80 . . 0 "[ . 1 . 2]"
46 PSI 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 ILE N 81.00 173.00 116.28 128.60 128.42 . . 0 "[ . 1 . 2]"
47 PHI 1 42 LEU C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -137.00 -57.00 -119.48 -128.98 -110.74 . . 0 "[ . 1 . 2]"
48 PSI 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 PRO N 92.00 160.00 109.19 90.68 90.62 1.52 3 0 "[ . 1 . 2]"
49 PSI 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 ASP N 123.00 163.00 145.61 139.00 152.47 . . 0 "[ . 1 . 2]"
50 PHI 1 44 PRO C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -111.00 -51.00 -54.10 -58.75 -59.30 . . 0 "[ . 1 . 2]"
51 PSI 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 LYS N -57.00 7.00 -27.53 -33.56 -14.13 . . 0 "[ . 1 . 2]"
52 PSI 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 GLY N 116.00 160.00 117.47 115.79 135.74 0.21 2 0 "[ . 1 . 2]"
53 PHI 1 47 PRO C 1 48 GLY N 1 48 GLY CA 1 48 GLY C 62.00 114.00 95.20 83.26 114.12 0.12 3 0 "[ . 1 . 2]"
54 PSI 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 GLU N -34.00 14.00 -9.58 14.23 14.03 0.23 2 0 "[ . 1 . 2]"
55 PHI 1 48 GLY C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -115.00 -59.00 -82.05 -99.87 -69.12 . . 0 "[ . 1 . 2]"
56 PSI 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 SER N 90.00 -154.00 -173.46 -173.06 -173.22 . . 0 "[ . 1 . 2]"
57 PHI 1 50 SER C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -137.00 -41.00 -52.28 -61.64 -48.33 . . 0 "[ . 1 . 2]"
58 PSI 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 GLU N 101.00 165.00 163.89 159.68 165.44 0.44 17 0 "[ . 1 . 2]"
59 PHI 1 51 ALA C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -169.00 -45.00 -116.58 -144.62 -90.70 . . 0 "[ . 1 . 2]"
60 PSI 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 VAL N 68.00 -172.00 116.72 102.56 101.92 . . 0 "[ . 1 . 2]"
61 PHI 1 52 GLU C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -135.00 -47.00 -103.01 -102.74 -102.76 . . 0 "[ . 1 . 2]"
62 PSI 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 PRO N 95.00 167.00 96.26 93.14 102.97 1.86 20 0 "[ . 1 . 2]"
63 PSI 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 PRO N 121.00 165.00 162.13 158.87 164.85 . . 0 "[ . 1 . 2]"
64 PSI 1 55 PRO N 1 55 PRO CA 1 55 PRO C 1 56 VAL N -44.00 0.00 -44.48 -44.27 -44.33 0.74 16 0 "[ . 1 . 2]"
65 PHI 1 55 PRO C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -180.00 -84.00 -104.16 -105.65 -105.97 . . 0 "[ . 1 . 2]"
66 PSI 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 PHE N 83.00 -177.00 125.36 115.32 133.40 . . 0 "[ . 1 . 2]"
67 PHI 1 56 VAL C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -149.00 -81.00 -116.70 -126.14 -108.27 . . 0 "[ . 1 . 2]"
68 PSI 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 TYR N 100.00 148.00 136.64 136.47 127.04 . . 0 "[ . 1 . 2]"
69 PHI 1 57 PHE C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -133.00 -93.00 -130.66 -134.21 -120.81 1.21 19 0 "[ . 1 . 2]"
70 PSI 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 CYS N 103.00 179.00 121.40 124.01 122.94 . . 0 "[ . 1 . 2]"
71 PHI 1 59 CYS C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -80.00 -40.00 -59.67 -64.83 -50.47 . . 0 "[ . 1 . 2]"
72 PSI 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 LEU N -54.00 -14.00 -46.46 -46.73 -46.84 . . 0 "[ . 1 . 2]"
73 PHI 1 60 GLU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -88.00 -48.00 -51.80 -53.19 -50.12 . . 0 "[ . 1 . 2]"
74 PSI 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 CYS N -59.00 -19.00 -57.52 -59.58 -48.41 0.58 16 0 "[ . 1 . 2]"
75 PHI 1 61 LEU C 1 62 CYS N 1 62 CYS CA 1 62 CYS C -82.00 -42.00 -65.82 -74.95 -62.70 . . 0 "[ . 1 . 2]"
76 PSI 1 62 CYS N 1 62 CYS CA 1 62 CYS C 1 63 ARG N -64.00 -24.00 -36.21 -38.26 -38.63 . . 0 "[ . 1 . 2]"
77 PHI 1 62 CYS C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -86.00 -38.00 -57.79 -68.77 -50.31 . . 0 "[ . 1 . 2]"
78 PSI 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 LEU N -58.00 -2.00 -50.08 -56.69 -35.03 . . 0 "[ . 1 . 2]"
79 PHI 1 63 ARG C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -86.00 -46.00 -71.52 -86.23 -65.67 0.23 12 0 "[ . 1 . 2]"
80 PSI 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 SER N -53.00 -5.00 -38.67 -37.03 -42.39 . . 0 "[ . 1 . 2]"
81 PHI 1 64 LEU C 1 65 SER N 1 65 SER CA 1 65 SER C -126.00 -62.00 -67.32 -79.89 -61.83 0.17 20 0 "[ . 1 . 2]"
82 PSI 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 ARG N -52.00 36.00 -24.54 -34.20 -15.15 . . 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 38
_TA_constraint_stats_list.Viol_count 12
_TA_constraint_stats_list.Viol_total 142.92
_TA_constraint_stats_list.Viol_max 2.39
_TA_constraint_stats_list.Viol_rms 0.13
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.60
_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 CHI1 1 10 LYS N 1 10 LYS CA 1 10 LYS CB 1 10 LYS CG 110.00 -130.00 170.29 169.72 170.72 . . 0 "[ . 1 . 2]"
2 CHI1 1 11 VAL N 1 11 VAL CA 1 11 VAL CB 1 11 VAL CG1 130.00 -130.00 -171.38 -173.14 -170.30 . . 0 "[ . 1 . 2]"
3 CHI1 1 12 ARG N 1 12 ARG CA 1 12 ARG CB 1 12 ARG CG -110.00 -10.00 -100.24 -109.06 -88.26 . . 0 "[ . 1 . 2]"
4 CHI1 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG 130.00 -130.00 -164.76 -164.99 -165.14 . . 0 "[ . 1 . 2]"
5 CHI1 1 14 ILE N 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 10.00 110.00 53.35 53.47 52.72 . . 0 "[ . 1 . 2]"
6 CHI1 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG 10.00 110.00 63.23 64.40 64.02 . . 0 "[ . 1 . 2]"
7 CHI1 1 16 SER N 1 16 SER CA 1 16 SER CB 1 16 SER OG 10.00 110.00 82.80 82.55 82.49 . . 0 "[ . 1 . 2]"
8 CHI1 1 17 SER N 1 17 SER CA 1 17 SER CB 1 17 SER OG 130.00 -130.00 -154.34 -162.07 -162.67 . . 0 "[ . 1 . 2]"
9 CHI1 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 110.00 -130.00 -171.58 -172.66 -169.91 . . 0 "[ . 1 . 2]"
10 CHI1 1 21 ASN N 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG 10.00 110.00 79.90 73.76 82.14 . . 0 "[ . 1 . 2]"
11 CHI1 1 23 SER N 1 23 SER CA 1 23 SER CB 1 23 SER OG 130.00 -130.00 -148.01 -154.26 -154.96 . . 0 "[ . 1 . 2]"
12 CHI1 1 24 MET N 1 24 MET CA 1 24 MET CB 1 24 MET CG -110.00 -10.00 -40.68 -19.48 -33.64 . . 0 "[ . 1 . 2]"
13 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 130.00 -130.00 176.36 174.61 179.67 . . 0 "[ . 1 . 2]"
14 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 130.00 -130.00 172.48 172.35 170.40 . . 0 "[ . 1 . 2]"
15 CHI1 1 27 CYS N 1 27 CYS CA 1 27 CYS CB 1 27 CYS SG 130.00 -130.00 -173.55 -173.89 -173.93 . . 0 "[ . 1 . 2]"
16 CHI1 1 28 GLU N 1 28 GLU CA 1 28 GLU CB 1 28 GLU CG -110.00 -10.00 -105.73 -108.42 -108.97 0.10 11 0 "[ . 1 . 2]"
17 CHI1 1 29 ASP N 1 29 ASP CA 1 29 ASP CB 1 29 ASP CG 130.00 -130.00 -177.74 -172.96 -176.23 . . 0 "[ . 1 . 2]"
18 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG -110.00 -10.00 -73.41 -94.72 -47.73 . . 0 "[ . 1 . 2]"
19 CHI1 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG 130.00 -130.00 -136.63 -150.40 -129.52 0.48 11 0 "[ . 1 . 2]"
20 CHI1 1 33 GLN N 1 33 GLN CA 1 33 GLN CB 1 33 GLN CG -110.00 -10.00 -61.06 -66.03 -57.28 . . 0 "[ . 1 . 2]"
21 CHI1 1 34 VAL N 1 34 VAL CA 1 34 VAL CB 1 34 VAL CG1 -110.00 -10.00 -70.22 -74.50 -59.64 . . 0 "[ . 1 . 2]"
22 CHI1 1 35 TRP N 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG -110.00 -10.00 -63.01 -65.12 -62.14 . . 0 "[ . 1 . 2]"
23 CHI2 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG 1 35 TRP CD1 40.00 140.00 56.30 55.00 57.39 . . 0 "[ . 1 . 2]"
24 CHI1 1 37 HIS N 1 37 HIS CA 1 37 HIS CB 1 37 HIS CG -110.00 -10.00 -62.37 -60.73 -60.76 . . 0 "[ . 1 . 2]"
25 CHI1 1 38 LEU N 1 38 LEU CA 1 38 LEU CB 1 38 LEU CG -110.00 -10.00 -101.12 -102.48 -102.75 0.28 10 0 "[ . 1 . 2]"
26 CHI1 1 40 CYS N 1 40 CYS CA 1 40 CYS CB 1 40 CYS SG -110.00 -10.00 -75.98 -77.76 -77.85 . . 0 "[ . 1 . 2]"
27 CHI1 1 41 VAL N 1 41 VAL CA 1 41 VAL CB 1 41 VAL CG1 -110.00 -10.00 -69.32 -70.50 -70.53 . . 0 "[ . 1 . 2]"
28 CHI1 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG -110.00 -10.00 -103.71 -112.39 -96.85 2.39 11 0 "[ . 1 . 2]"
29 CHI1 1 43 ILE N 1 43 ILE CA 1 43 ILE CB 1 43 ILE CG1 -110.00 -10.00 -27.24 -26.79 -26.90 . . 0 "[ . 1 . 2]"
30 CHI1 1 57 PHE N 1 57 PHE CA 1 57 PHE CB 1 57 PHE CG 130.00 -130.00 159.47 158.93 158.21 . . 0 "[ . 1 . 2]"
31 CHI1 1 58 TYR N 1 58 TYR CA 1 58 TYR CB 1 58 TYR CG -110.00 -10.00 -78.03 -79.40 -79.78 . . 0 "[ . 1 . 2]"
32 CHI1 1 59 CYS N 1 59 CYS CA 1 59 CYS CB 1 59 CYS SG 10.00 110.00 75.07 63.85 78.32 . . 0 "[ . 1 . 2]"
33 CHI1 1 60 GLU N 1 60 GLU CA 1 60 GLU CB 1 60 GLU CG 10.00 110.00 54.20 53.98 53.84 . . 0 "[ . 1 . 2]"
34 CHI1 1 61 LEU N 1 61 LEU CA 1 61 LEU CB 1 61 LEU CG -110.00 -10.00 -46.03 -51.44 -44.32 . . 0 "[ . 1 . 2]"
35 CHI2 1 61 LEU CA 1 61 LEU CB 1 61 LEU CG 1 61 LEU CD1 130.00 -130.00 177.15 -175.79 -176.20 0.04 20 0 "[ . 1 . 2]"
36 CHI1 1 62 CYS N 1 62 CYS CA 1 62 CYS CB 1 62 CYS SG -110.00 -10.00 -59.32 -55.69 -57.11 . . 0 "[ . 1 . 2]"
37 CHI1 1 63 ARG N 1 63 ARG CA 1 63 ARG CB 1 63 ARG CG -110.00 -10.00 -95.83 -94.99 -95.70 . . 0 "[ . 1 . 2]"
38 CHI1 1 64 LEU N 1 64 LEU CA 1 64 LEU CB 1 64 LEU CG -110.00 -10.00 -91.93 -91.37 -93.59 . . 0 "[ . 1 . 2]"
stop_
save_
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