NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437561 |
2k31   |
15734 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k31
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 194
_TA_constraint_stats_list.Viol_count 1301
_TA_constraint_stats_list.Viol_total 13620.02
_TA_constraint_stats_list.Viol_max 3.20
_TA_constraint_stats_list.Viol_rms 0.38
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 0.52
_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 4 THR C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -77.00 -47.00 -77.27 -78.10 -75.06 1.10 20 0 "[ . 1 . 2]"
2 . 1 5 ALA N 1 5 ALA CA 1 5 ALA C 1 6 LEU N -52.00 -22.00 -25.99 -30.78 -34.03 0.51 3 0 "[ . 1 . 2]"
3 . 1 5 ALA C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -81.00 -51.00 -65.74 -79.00 -59.40 . . 0 "[ . 1 . 2]"
4 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 CYS N -59.00 -29.00 -31.54 -32.55 -33.17 0.25 18 0 "[ . 1 . 2]"
5 . 1 6 LEU C 1 7 CYS N 1 7 CYS CA 1 7 CYS C -78.00 -48.00 -66.03 -65.39 -65.90 . . 0 "[ . 1 . 2]"
6 . 1 7 CYS N 1 7 CYS CA 1 7 CYS C 1 8 HIS N -55.00 -25.00 -25.62 -28.94 -23.20 1.80 5 0 "[ . 1 . 2]"
7 . 1 7 CYS C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -77.00 -47.00 -76.11 -73.59 -74.70 0.62 15 0 "[ . 1 . 2]"
8 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 LYS N -59.00 -29.00 -28.47 -28.30 -28.36 0.82 7 0 "[ . 1 . 2]"
9 . 1 8 HIS C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -80.00 -50.00 -64.09 -67.04 -60.12 . . 0 "[ . 1 . 2]"
10 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 ILE N -49.00 -19.00 -36.31 -35.05 -35.65 . . 0 "[ . 1 . 2]"
11 . 1 9 LYS C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -80.00 -50.00 -78.79 -80.49 -75.32 0.49 3 0 "[ . 1 . 2]"
12 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 PHE N -56.00 -26.00 -32.99 -42.61 -26.92 . . 0 "[ . 1 . 2]"
13 . 1 10 ILE C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -76.00 -46.00 -66.60 -76.26 -58.91 0.26 3 0 "[ . 1 . 2]"
14 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 LEU N -56.00 -26.00 -24.94 -24.63 -24.78 1.60 2 0 "[ . 1 . 2]"
15 . 1 11 PHE C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -80.00 -50.00 -79.10 -79.46 -79.74 0.59 5 0 "[ . 1 . 2]"
16 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 HIS N -53.00 -23.00 -31.56 -37.03 -28.03 . . 0 "[ . 1 . 2]"
17 . 1 12 LEU C 1 13 HIS N 1 13 HIS CA 1 13 HIS C -80.00 -50.00 -71.86 -68.96 -70.04 0.28 20 0 "[ . 1 . 2]"
18 . 1 13 HIS N 1 13 HIS CA 1 13 HIS C 1 14 ILE N -56.00 -26.00 -30.95 -31.61 -32.03 0.21 20 0 "[ . 1 . 2]"
19 . 1 13 HIS C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -78.00 -48.00 -77.14 -78.20 -78.21 0.32 15 0 "[ . 1 . 2]"
20 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 HIS N -56.00 -26.00 -26.67 -25.73 -25.76 0.54 4 0 "[ . 1 . 2]"
21 . 1 14 ILE C 1 15 HIS N 1 15 HIS CA 1 15 HIS C -79.00 -49.00 -65.24 -65.61 -65.86 . . 0 "[ . 1 . 2]"
22 . 1 15 HIS N 1 15 HIS CA 1 15 HIS C 1 16 GLY N -52.00 -22.00 -25.39 -22.09 -22.75 0.14 9 0 "[ . 1 . 2]"
23 . 1 16 GLY C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -95.00 -65.00 -95.18 -95.39 -95.00 0.39 20 0 "[ . 1 . 2]"
24 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 ILE N -55.00 -25.00 -54.02 -55.18 -51.88 0.18 12 0 "[ . 1 . 2]"
25 . 1 17 LEU C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -114.00 -60.00 -99.35 -101.01 -101.71 . . 0 "[ . 1 . 2]"
26 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 SER N -28.00 10.00 0.83 -1.53 4.38 . . 0 "[ . 1 . 2]"
27 . 1 21 ASP C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -158.00 -112.00 -138.25 -134.49 -135.60 . . 0 "[ . 1 . 2]"
28 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 TYR N 142.00 172.00 148.05 141.72 158.93 0.28 8 0 "[ . 1 . 2]"
29 . 1 22 ARG C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -151.00 -121.00 -126.63 -125.48 -126.68 0.19 19 0 "[ . 1 . 2]"
30 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 SER N 130.00 164.00 143.81 146.33 146.32 0.00 8 0 "[ . 1 . 2]"
31 . 1 23 TYR C 1 24 SER N 1 24 SER CA 1 24 SER C -146.00 -104.00 -136.09 -145.58 -127.85 . . 0 "[ . 1 . 2]"
32 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 LEU N 136.00 166.00 145.40 135.57 152.36 0.43 7 0 "[ . 1 . 2]"
33 . 1 24 SER C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -153.00 -123.00 -128.67 -133.21 -133.92 0.32 14 0 "[ . 1 . 2]"
34 . 1 25 LEU C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -135.00 -105.00 -118.21 -104.56 -104.76 0.59 17 0 "[ . 1 . 2]"
35 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 LEU N 117.00 147.00 147.05 147.27 147.24 0.86 15 0 "[ . 1 . 2]"
36 . 1 26 PHE C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -133.00 -101.00 -112.00 -121.96 -100.68 0.32 7 0 "[ . 1 . 2]"
37 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 VAL N 117.00 153.00 151.78 128.86 153.77 0.77 7 0 "[ . 1 . 2]"
38 . 1 27 LEU C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -116.00 -72.00 -78.80 -73.54 -74.66 0.06 2 0 "[ . 1 . 2]"
39 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 CYS N 113.00 143.00 126.69 123.55 122.32 . . 0 "[ . 1 . 2]"
40 . 1 28 VAL C 1 29 CYS N 1 29 CYS CA 1 29 CYS C -148.00 -108.00 -134.42 -131.90 -132.05 0.07 5 0 "[ . 1 . 2]"
41 . 1 29 CYS N 1 29 CYS CA 1 29 CYS C 1 30 GLU N 133.00 167.00 131.78 131.66 131.50 1.84 14 0 "[ . 1 . 2]"
42 . 1 29 CYS C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -137.00 -107.00 -138.37 -137.99 -138.16 1.76 3 0 "[ . 1 . 2]"
43 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 ASP N 124.00 154.00 154.22 154.07 154.45 0.45 15 0 "[ . 1 . 2]"
44 . 1 30 GLU C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -127.00 -83.00 -110.70 -113.99 -99.26 . . 0 "[ . 1 . 2]"
45 . 1 31 ASP C 1 32 SER N 1 32 SER CA 1 32 SER C -75.00 -45.00 -75.14 -75.14 -75.16 0.24 18 0 "[ . 1 . 2]"
46 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 SER N -38.00 -8.00 -7.90 -8.00 -7.77 0.23 1 0 "[ . 1 . 2]"
47 . 1 32 SER C 1 33 SER N 1 33 SER CA 1 33 SER C -110.00 -80.00 -91.13 -93.06 -88.99 . . 0 "[ . 1 . 2]"
48 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 LYS N -6.00 24.00 19.28 20.28 19.62 . . 0 "[ . 1 . 2]"
49 . 1 35 ASP C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -135.00 -95.00 -122.50 -129.74 -110.46 . . 0 "[ . 1 . 2]"
50 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 PHE N 134.00 170.00 143.53 140.45 148.82 . . 0 "[ . 1 . 2]"
51 . 1 36 LYS C 1 37 PHE N 1 37 PHE CA 1 37 PHE C -163.00 -121.00 -148.76 -156.85 -145.89 . . 0 "[ . 1 . 2]"
52 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 LEU N 147.00 177.00 165.25 164.40 163.45 . . 0 "[ . 1 . 2]"
53 . 1 37 PHE C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -140.00 -110.00 -112.76 -120.00 -109.45 0.55 6 0 "[ . 1 . 2]"
54 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 ILE N 128.00 158.00 136.83 133.79 133.00 . . 0 "[ . 1 . 2]"
55 . 1 38 LEU C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -147.00 -117.00 -142.50 -146.40 -139.48 . . 0 "[ . 1 . 2]"
56 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 PHE N 134.00 164.00 133.35 133.25 133.24 0.95 5 0 "[ . 1 . 2]"
57 . 1 42 LEU C 1 43 PHE N 1 43 PHE CA 1 43 PHE C -149.00 -115.00 -123.37 -130.50 -116.24 . . 0 "[ . 1 . 2]"
58 . 1 43 PHE N 1 43 PHE CA 1 43 PHE C 1 44 ASP N 120.00 156.00 135.46 126.07 152.42 . . 0 "[ . 1 . 2]"
59 . 1 45 VAL C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -141.00 -111.00 -125.50 -117.40 -122.04 . . 0 "[ . 1 . 2]"
60 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLU N 141.00 171.00 166.76 161.49 171.28 0.28 12 0 "[ . 1 . 2]"
61 . 1 49 SER C 1 50 THR N 1 50 THR CA 1 50 THR C -125.00 -77.00 -94.36 -92.23 -94.21 . . 0 "[ . 1 . 2]"
62 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 LEU N 150.00 180.00 171.74 166.63 179.55 . . 0 "[ . 1 . 2]"
63 . 1 50 THR C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -75.00 -45.00 -73.24 -75.24 -68.44 0.24 9 0 "[ . 1 . 2]"
64 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 GLU N -53.00 -23.00 -38.83 -44.06 -34.82 . . 0 "[ . 1 . 2]"
65 . 1 51 LEU C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -74.00 -44.00 -60.74 -72.07 -55.46 . . 0 "[ . 1 . 2]"
66 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 GLU N -57.00 -27.00 -29.96 -28.10 -30.02 0.40 16 0 "[ . 1 . 2]"
67 . 1 52 GLU C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -84.00 -54.00 -79.95 -81.74 -83.99 0.26 15 0 "[ . 1 . 2]"
68 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ALA N -45.00 -15.00 -19.24 -14.89 -14.95 0.19 17 0 "[ . 1 . 2]"
69 . 1 55 SER C 1 56 ASN N 1 56 ASN CA 1 56 ASN C -99.00 -57.00 -91.43 -90.48 -91.29 0.10 16 0 "[ . 1 . 2]"
70 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 ASN N 111.00 147.00 133.57 137.05 135.47 0.13 5 0 "[ . 1 . 2]"
71 . 1 58 CYS C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -132.00 -102.00 -103.46 -110.62 -101.57 0.43 11 0 "[ . 1 . 2]"
72 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 ARG N 101.00 141.00 137.86 141.00 139.79 0.45 5 0 "[ . 1 . 2]"
73 . 1 59 ILE C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -123.00 -91.00 -120.34 -123.56 -110.53 0.56 6 0 "[ . 1 . 2]"
74 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 LEU N 117.00 147.00 117.48 116.68 116.63 0.68 3 0 "[ . 1 . 2]"
75 . 1 60 ARG C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -131.00 -101.00 -120.43 -129.94 -113.11 . . 0 "[ . 1 . 2]"
76 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 GLU N 127.00 157.00 150.96 144.48 157.59 0.59 11 0 "[ . 1 . 2]"
77 . 1 61 LEU C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -123.00 -65.00 -73.19 -74.88 -76.24 . . 0 "[ . 1 . 2]"
78 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 TRP N 128.00 162.00 160.79 157.51 162.40 0.40 11 0 "[ . 1 . 2]"
79 . 1 66 GLY C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -73.00 -43.00 -73.29 -73.25 -73.28 0.55 5 0 "[ . 1 . 2]"
80 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 VAL N -50.00 -20.00 -31.47 -31.16 -31.49 . . 0 "[ . 1 . 2]"
81 . 1 67 ILE C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -81.00 -51.00 -80.97 -81.41 -79.67 0.41 11 0 "[ . 1 . 2]"
82 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 GLY N -41.00 -7.00 -24.61 -29.86 -19.97 . . 0 "[ . 1 . 2]"
83 . 1 68 VAL C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -80.00 -50.00 -65.45 -62.99 -64.43 . . 0 "[ . 1 . 2]"
84 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 HIS N -53.00 -23.00 -28.06 -34.16 -22.96 0.04 19 0 "[ . 1 . 2]"
85 . 1 69 GLY C 1 70 HIS N 1 70 HIS CA 1 70 HIS C -80.00 -50.00 -75.76 -78.28 -72.25 . . 0 "[ . 1 . 2]"
86 . 1 70 HIS N 1 70 HIS CA 1 70 HIS C 1 71 VAL N -59.00 -29.00 -39.44 -36.33 -38.43 . . 0 "[ . 1 . 2]"
87 . 1 70 HIS C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -78.00 -48.00 -78.40 -78.47 -78.51 0.69 11 0 "[ . 1 . 2]"
88 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 ALA N -59.00 -29.00 -28.82 -29.29 -29.64 0.90 16 0 "[ . 1 . 2]"
89 . 1 71 VAL C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -77.00 -47.00 -71.55 -76.15 -68.69 . . 0 "[ . 1 . 2]"
90 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ALA N -49.00 -19.00 -33.51 -41.08 -28.22 . . 0 "[ . 1 . 2]"
91 . 1 72 ALA C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -85.00 -55.00 -77.22 -66.92 -73.41 . . 0 "[ . 1 . 2]"
92 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 PHE N -48.00 -18.00 -38.81 -38.75 -39.47 . . 0 "[ . 1 . 2]"
93 . 1 75 GLY C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -142.00 -92.00 -135.17 -135.82 -136.57 . . 0 "[ . 1 . 2]"
94 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 PRO N 130.00 164.00 156.98 157.30 156.62 . . 0 "[ . 1 . 2]"
95 . 1 77 PRO C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -152.00 -122.00 -121.45 -121.90 -120.97 1.03 1 0 "[ . 1 . 2]"
96 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 ASN N 129.00 159.00 151.85 135.19 159.21 0.21 7 0 "[ . 1 . 2]"
97 . 1 78 LEU C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -126.00 -96.00 -116.89 -109.76 -111.71 0.19 5 0 "[ . 1 . 2]"
98 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 ILE N 113.00 143.00 139.69 143.05 142.99 0.22 8 0 "[ . 1 . 2]"
99 . 1 79 ASN C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -125.00 -85.00 -115.20 -118.52 -119.64 0.25 9 0 "[ . 1 . 2]"
100 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 LYS N 102.00 136.00 132.37 131.44 128.69 0.64 2 0 "[ . 1 . 2]"
101 . 1 80 ILE C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -79.00 -49.00 -79.75 -78.92 -79.49 1.17 9 0 "[ . 1 . 2]"
102 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 ASP N -43.00 -13.00 -36.47 -43.55 -20.01 0.55 6 0 "[ . 1 . 2]"
103 . 1 82 ASP C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -70.00 -40.00 -70.88 -71.13 -71.27 1.35 1 0 "[ . 1 . 2]"
104 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 TYR N -61.00 -31.00 -57.90 -60.24 -60.88 0.15 17 0 "[ . 1 . 2]"
105 . 1 83 ALA C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -81.00 -51.00 -61.20 -58.39 -59.08 . . 0 "[ . 1 . 2]"
106 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 GLU N -42.00 -12.00 -12.57 -16.31 -11.42 0.58 18 0 "[ . 1 . 2]"
107 . 1 85 GLU C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -141.00 -85.00 -95.13 -95.68 -96.25 . . 0 "[ . 1 . 2]"
108 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 PRO N 127.00 169.00 151.02 143.07 158.08 . . 0 "[ . 1 . 2]"
109 . 1 89 PHE C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -123.00 -79.00 -102.98 -111.77 -97.20 . . 0 "[ . 1 . 2]"
110 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 ALA N 94.00 136.00 126.65 123.39 122.02 0.03 14 0 "[ . 1 . 2]"
111 . 1 91 ALA C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -79.00 -49.00 -79.31 -79.46 -79.06 0.46 18 0 "[ . 1 . 2]"
112 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 VAL N -55.00 -25.00 -36.56 -41.54 -25.20 . . 0 "[ . 1 . 2]"
113 . 1 92 GLU C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -77.00 -47.00 -73.64 -74.49 -75.03 0.17 20 0 "[ . 1 . 2]"
114 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ASP N -56.00 -26.00 -36.81 -39.57 -29.93 . . 0 "[ . 1 . 2]"
115 . 1 93 VAL C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -82.00 -52.00 -60.04 -59.96 -60.74 . . 0 "[ . 1 . 2]"
116 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 GLN N -54.00 -24.00 -23.45 -23.52 -23.62 0.73 6 0 "[ . 1 . 2]"
117 . 1 94 ASP C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -82.00 -52.00 -71.55 -75.74 -69.45 . . 0 "[ . 1 . 2]"
118 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 ILE N -49.00 -19.00 -46.68 -49.07 -44.62 0.07 17 0 "[ . 1 . 2]"
119 . 1 95 GLN C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -86.00 -56.00 -87.26 -87.21 -87.22 1.47 6 0 "[ . 1 . 2]"
120 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 THR N -53.00 -23.00 -33.71 -38.20 -25.49 . . 0 "[ . 1 . 2]"
121 . 1 96 ILE C 1 97 THR N 1 97 THR CA 1 97 THR C -126.00 -86.00 -85.49 -85.51 -85.56 0.66 8 0 "[ . 1 . 2]"
122 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 GLY N -23.00 11.00 -24.71 -24.64 -24.68 1.94 20 0 "[ . 1 . 2]"
123 . 1 98 GLY C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -139.00 -81.00 -121.18 -119.62 -121.77 . . 0 "[ . 1 . 2]"
124 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 LYS N 124.00 154.00 134.63 128.07 142.59 . . 0 "[ . 1 . 2]"
125 . 1 99 TYR C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -119.00 -87.00 -110.39 -113.84 -116.14 0.02 14 0 "[ . 1 . 2]"
126 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 THR N 102.00 136.00 113.40 108.74 122.02 . . 0 "[ . 1 . 2]"
127 . 1 100 LYS C 1 101 THR N 1 101 THR CA 1 101 THR C -89.00 -59.00 -89.11 -89.31 -87.44 0.31 2 0 "[ . 1 . 2]"
128 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 GLN N 115.00 145.00 143.35 127.81 145.68 0.68 4 0 "[ . 1 . 2]"
129 . 1 102 GLN C 1 103 SER N 1 103 SER CA 1 103 SER C -155.00 -91.00 -155.23 -155.72 -153.90 0.72 14 0 "[ . 1 . 2]"
130 . 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 ILE N 140.00 170.00 139.60 139.71 139.71 0.55 10 0 "[ . 1 . 2]"
131 . 1 103 SER C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -154.00 -124.00 -143.99 -138.39 -138.46 . . 0 "[ . 1 . 2]"
132 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 LEU N 127.00 157.00 136.03 126.87 155.06 0.13 12 0 "[ . 1 . 2]"
133 . 1 104 ILE C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -136.00 -96.00 -101.80 -113.76 -95.80 0.20 3 0 "[ . 1 . 2]"
134 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 CYS N 110.00 140.00 122.34 112.78 132.25 . . 0 "[ . 1 . 2]"
135 . 1 105 LEU C 1 106 CYS N 1 106 CYS CA 1 106 CYS C -131.00 -101.00 -100.73 -101.49 -102.83 0.95 17 0 "[ . 1 . 2]"
136 . 1 106 CYS N 1 106 CYS CA 1 106 CYS C 1 107 MET N 110.00 140.00 114.15 115.50 112.04 0.57 3 0 "[ . 1 . 2]"
137 . 1 106 CYS C 1 107 MET N 1 107 MET CA 1 107 MET C -140.00 -106.00 -132.60 -134.50 -139.42 0.62 18 0 "[ . 1 . 2]"
138 . 1 107 MET N 1 107 MET CA 1 107 MET C 1 108 PRO N 121.00 151.00 123.40 120.33 136.70 0.67 17 0 "[ . 1 . 2]"
139 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 ILE N 124.00 154.00 149.42 142.08 154.44 0.44 14 0 "[ . 1 . 2]"
140 . 1 108 PRO C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -117.00 -85.00 -105.47 -111.04 -96.74 . . 0 "[ . 1 . 2]"
141 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 LYS N 109.00 145.00 116.47 112.01 123.16 . . 0 "[ . 1 . 2]"
142 . 1 109 ILE C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -149.00 -105.00 -135.36 -149.27 -123.78 0.27 10 0 "[ . 1 . 2]"
143 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ASN N 133.00 173.00 162.71 153.88 166.79 . . 0 "[ . 1 . 2]"
144 . 1 110 LYS C 1 111 ASN N 1 111 ASN CA 1 111 ASN C -169.00 -101.00 -101.07 -114.78 -100.07 0.93 18 0 "[ . 1 . 2]"
145 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C 1 112 HIS N 131.00 163.00 164.00 163.50 165.07 2.07 17 0 "[ . 1 . 2]"
146 . 1 111 ASN C 1 112 HIS N 1 112 HIS CA 1 112 HIS C -116.00 -66.00 -64.85 -65.42 -64.07 1.93 17 0 "[ . 1 . 2]"
147 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C 1 113 ARG N 120.00 152.00 118.78 116.80 139.30 3.20 10 0 "[ . 1 . 2]"
148 . 1 113 ARG C 1 114 GLU N 1 114 GLU CA 1 114 GLU C 47.00 77.00 70.83 62.98 74.69 . . 0 "[ . 1 . 2]"
149 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 GLU N 17.00 47.00 23.95 32.17 27.96 0.27 3 0 "[ . 1 . 2]"
150 . 1 118 GLY C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -147.00 -117.00 -130.41 -131.21 -131.85 . . 0 "[ . 1 . 2]"
151 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 ALA N 123.00 161.00 147.69 145.28 142.06 . . 0 "[ . 1 . 2]"
152 . 1 119 VAL C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -146.00 -116.00 -118.31 -126.90 -115.15 0.85 10 0 "[ . 1 . 2]"
153 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 GLN N 128.00 158.00 135.27 141.83 138.33 0.69 3 0 "[ . 1 . 2]"
154 . 1 120 ALA C 1 121 GLN N 1 121 GLN CA 1 121 GLN C -151.00 -113.00 -139.99 -146.89 -133.36 . . 0 "[ . 1 . 2]"
155 . 1 121 GLN N 1 121 GLN CA 1 121 GLN C 1 122 ALA N 122.00 152.00 142.89 140.86 138.83 . . 0 "[ . 1 . 2]"
156 . 1 121 GLN C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -146.00 -102.00 -138.33 -146.13 -125.88 0.13 8 0 "[ . 1 . 2]"
157 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 ILE N 122.00 152.00 120.23 119.60 121.13 2.40 2 0 "[ . 1 . 2]"
158 . 1 122 ALA C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -131.00 -97.00 -107.03 -114.98 -99.19 . . 0 "[ . 1 . 2]"
159 . 1 123 ILE N 1 123 ILE CA 1 123 ILE C 1 124 ASN N 120.00 154.00 119.23 119.31 119.28 1.05 11 0 "[ . 1 . 2]"
160 . 1 124 ASN C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -91.00 -55.00 -83.35 -92.04 -73.96 1.04 8 0 "[ . 1 . 2]"
161 . 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 LYS N 114.00 144.00 119.38 112.82 136.80 1.18 16 0 "[ . 1 . 2]"
162 . 1 133 PHE C 1 134 THR N 1 134 THR CA 1 134 THR C -141.00 -101.00 -103.55 -128.11 -100.56 0.44 12 0 "[ . 1 . 2]"
163 . 1 134 THR N 1 134 THR CA 1 134 THR C 1 135 GLU N 152.00 -178.00 169.71 163.72 -177.99 0.01 18 0 "[ . 1 . 2]"
164 . 1 134 THR C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -76.00 -46.00 -74.82 -76.24 -71.38 0.24 13 0 "[ . 1 . 2]"
165 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 LYS N -53.00 -23.00 -24.58 -38.21 -22.65 0.35 6 0 "[ . 1 . 2]"
166 . 1 135 GLU C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -81.00 -51.00 -79.24 -81.42 -72.90 0.42 11 0 "[ . 1 . 2]"
167 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 ASP N -56.00 -26.00 -31.17 -38.05 -25.97 0.03 1 0 "[ . 1 . 2]"
168 . 1 136 LYS C 1 137 ASP N 1 137 ASP CA 1 137 ASP C -79.00 -49.00 -78.80 -79.19 -79.27 0.47 1 0 "[ . 1 . 2]"
169 . 1 137 ASP N 1 137 ASP CA 1 137 ASP C 1 138 GLU N -53.00 -23.00 -22.73 -22.74 -22.89 0.59 4 0 "[ . 1 . 2]"
170 . 1 137 ASP C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -78.00 -48.00 -76.17 -78.27 -71.31 0.27 3 0 "[ . 1 . 2]"
171 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 LYS N -56.00 -26.00 -26.57 -29.24 -25.71 0.29 19 0 "[ . 1 . 2]"
172 . 1 138 GLU C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -80.00 -50.00 -77.97 -79.20 -79.32 0.29 13 0 "[ . 1 . 2]"
173 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 ASP N -55.00 -25.00 -30.79 -39.02 -24.89 0.11 17 0 "[ . 1 . 2]"
174 . 1 139 LYS C 1 140 ASP N 1 140 ASP CA 1 140 ASP C -78.00 -48.00 -76.46 -77.89 -78.11 0.42 18 0 "[ . 1 . 2]"
175 . 1 140 ASP N 1 140 ASP CA 1 140 ASP C 1 141 PHE N -48.00 -18.00 -17.68 -17.63 -17.71 0.65 5 0 "[ . 1 . 2]"
176 . 1 140 ASP C 1 141 PHE N 1 141 PHE CA 1 141 PHE C -90.00 -58.00 -80.61 -84.85 -87.01 . . 0 "[ . 1 . 2]"
177 . 1 141 PHE N 1 141 PHE CA 1 141 PHE C 1 142 ALA N -50.00 -16.00 -42.25 -42.22 -43.90 . . 0 "[ . 1 . 2]"
178 . 1 141 PHE C 1 142 ALA N 1 142 ALA CA 1 142 ALA C -77.00 -47.00 -77.36 -77.69 -77.12 0.69 20 0 "[ . 1 . 2]"
179 . 1 142 ALA N 1 142 ALA CA 1 142 ALA C 1 143 GLU N -55.00 -25.00 -25.21 -24.96 -25.00 0.51 6 0 "[ . 1 . 2]"
180 . 1 142 ALA C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -79.00 -49.00 -70.05 -68.40 -69.61 . . 0 "[ . 1 . 2]"
181 . 1 143 GLU N 1 143 GLU CA 1 143 GLU C 1 144 TYR N -62.00 -32.00 -34.86 -38.26 -31.76 0.24 4 0 "[ . 1 . 2]"
182 . 1 143 GLU C 1 144 TYR N 1 144 TYR CA 1 144 TYR C -76.00 -46.00 -76.46 -76.48 -76.51 0.76 15 0 "[ . 1 . 2]"
183 . 1 144 TYR N 1 144 TYR CA 1 144 TYR C 1 145 LEU N -57.00 -27.00 -34.63 -38.58 -28.89 . . 0 "[ . 1 . 2]"
184 . 1 144 TYR C 1 145 LEU N 1 145 LEU CA 1 145 LEU C -79.00 -49.00 -79.38 -79.61 -79.26 0.61 10 0 "[ . 1 . 2]"
185 . 1 145 LEU N 1 145 LEU CA 1 145 LEU C 1 146 ALA N -58.00 -28.00 -26.50 -26.40 -26.43 1.73 20 0 "[ . 1 . 2]"
186 . 1 145 LEU C 1 146 ALA N 1 146 ALA CA 1 146 ALA C -75.00 -45.00 -61.37 -64.93 -58.37 . . 0 "[ . 1 . 2]"
187 . 1 146 ALA N 1 146 ALA CA 1 146 ALA C 1 147 PHE N -58.00 -28.00 -40.51 -47.33 -28.82 . . 0 "[ . 1 . 2]"
188 . 1 146 ALA C 1 147 PHE N 1 147 PHE CA 1 147 PHE C -82.00 -52.00 -82.66 -83.04 -82.17 1.04 14 0 "[ . 1 . 2]"
189 . 1 147 PHE N 1 147 PHE CA 1 147 PHE C 1 148 CYS N -59.00 -29.00 -43.40 -53.49 -39.09 . . 0 "[ . 1 . 2]"
190 . 1 147 PHE C 1 148 CYS N 1 148 CYS CA 1 148 CYS C -77.00 -47.00 -77.04 -77.68 -75.70 0.68 19 0 "[ . 1 . 2]"
191 . 1 148 CYS N 1 148 CYS CA 1 148 CYS C 1 149 GLY N -58.00 -28.00 -26.81 -27.77 -25.86 2.14 10 0 "[ . 1 . 2]"
192 . 1 148 CYS C 1 149 GLY N 1 149 GLY CA 1 149 GLY C -82.00 -52.00 -54.21 -67.19 -51.37 0.63 10 0 "[ . 1 . 2]"
193 . 1 149 GLY N 1 149 GLY CA 1 149 GLY C 1 150 GLU N -52.00 -22.00 -32.06 -28.16 -30.10 0.01 20 0 "[ . 1 . 2]"
194 . 1 149 GLY C 1 150 GLU N 1 150 GLU CA 1 150 GLU C -85.00 -55.00 -85.23 -85.39 -85.03 0.39 17 0 "[ . 1 . 2]"
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