NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538508 |
2lrt   |
18394 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lrt
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 179
_TA_constraint_stats_list.Viol_count 541
_TA_constraint_stats_list.Viol_total 14336.52
_TA_constraint_stats_list.Viol_max 6.73
_TA_constraint_stats_list.Viol_rms 0.63
_TA_constraint_stats_list.Viol_average_all_restraints 0.20
_TA_constraint_stats_list.Viol_average_violations_only 1.33
_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 15 ILE C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -156.00 -40.00 -96.12 -121.66 -66.55 . . 0 "[ . 1 . 2]"
2 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 ASP N 89.00 165.00 112.85 89.71 138.01 . . 0 "[ . 1 . 2]"
3 . 1 16 ILE C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -104.00 -64.00 -79.01 -104.70 -65.11 0.70 13 0 "[ . 1 . 2]"
4 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 ILE N 109.00 157.00 112.82 121.83 115.43 2.83 1 0 "[ . 1 . 2]"
5 . 1 17 ASP C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -154.00 -82.00 -98.20 -116.76 -83.38 . . 0 "[ . 1 . 2]"
6 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 GLN N 106.00 158.00 116.29 121.43 116.92 0.63 16 0 "[ . 1 . 2]"
7 . 1 18 ILE C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -140.00 -68.00 -109.36 -98.87 -100.12 . . 0 "[ . 1 . 2]"
8 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 LEU N 102.00 150.00 100.27 100.16 100.03 6.73 12 1 "[ . 1 + . 2]"
9 . 1 19 GLN C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -169.00 -105.00 -135.77 -136.08 -136.82 . . 0 "[ . 1 . 2]"
10 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 LYS N 142.00 -178.00 157.36 153.11 151.01 . . 0 "[ . 1 . 2]"
11 . 1 20 LEU C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -154.00 -62.00 -88.87 -90.19 -90.83 . . 0 "[ . 1 . 2]"
12 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ASP N 116.00 172.00 145.01 135.40 158.95 . . 0 "[ . 1 . 2]"
13 . 1 25 GLY C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -115.00 -47.00 -91.65 -108.28 -72.26 . . 0 "[ . 1 . 2]"
14 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 THR N 109.00 161.00 118.52 108.45 130.72 0.55 3 0 "[ . 1 . 2]"
15 . 1 26 ASN C 1 27 THR N 1 27 THR CA 1 27 THR C -106.00 -58.00 -65.72 -70.08 -73.08 0.07 16 0 "[ . 1 . 2]"
16 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 ARG N 108.00 148.00 114.52 110.22 107.56 1.79 1 0 "[ . 1 . 2]"
17 . 1 27 THR C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -126.00 -86.00 -97.69 -112.18 -86.15 . . 0 "[ . 1 . 2]"
18 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 SER N 90.00 142.00 138.50 127.97 143.87 1.87 16 0 "[ . 1 . 2]"
19 . 1 28 ARG C 1 29 SER N 1 29 SER CA 1 29 SER C -146.00 -54.00 -119.78 -127.42 -134.31 . . 0 "[ . 1 . 2]"
20 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 LEU N 76.00 -168.00 159.81 138.56 175.93 . . 0 "[ . 1 . 2]"
21 . 1 29 SER C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -80.00 -40.00 -76.11 -71.03 -72.72 0.99 7 0 "[ . 1 . 2]"
22 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 THR N -58.00 -10.00 -27.16 -34.03 -10.95 . . 0 "[ . 1 . 2]"
23 . 1 36 LYS C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -139.00 -67.00 -82.58 -93.71 -72.17 . . 0 "[ . 1 . 2]"
24 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 VAL N 101.00 153.00 127.76 134.71 130.72 . . 0 "[ . 1 . 2]"
25 . 1 37 VAL C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -142.00 -102.00 -107.92 -122.56 -101.00 1.00 14 0 "[ . 1 . 2]"
26 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 LEU N 115.00 155.00 127.42 129.02 124.58 . . 0 "[ . 1 . 2]"
27 . 1 38 VAL C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -152.00 -76.00 -92.32 -102.66 -81.14 . . 0 "[ . 1 . 2]"
28 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 ILE N 106.00 146.00 114.43 104.27 133.61 1.73 10 0 "[ . 1 . 2]"
29 . 1 39 LEU C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -141.00 -85.00 -90.76 -118.10 -83.98 1.02 14 0 "[ . 1 . 2]"
30 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 ASP N 107.00 147.00 105.62 105.75 105.54 2.66 10 0 "[ . 1 . 2]"
31 . 1 40 ILE C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -139.00 -99.00 -106.50 -114.04 -98.22 0.78 4 0 "[ . 1 . 2]"
32 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 PHE N 111.00 151.00 132.12 139.77 135.40 0.35 12 0 "[ . 1 . 2]"
33 . 1 41 ASP C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -152.00 -80.00 -119.32 -133.41 -95.05 . . 0 "[ . 1 . 2]"
34 . 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 THR N 98.00 162.00 102.95 101.62 100.74 2.07 10 0 "[ . 1 . 2]"
35 . 1 42 PHE C 1 43 THR N 1 43 THR CA 1 43 THR C 178.00 -102.00 -142.53 -139.70 -143.70 . . 0 "[ . 1 . 2]"
36 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 VAL N 139.00 -177.00 168.32 141.45 -174.78 2.22 12 0 "[ . 1 . 2]"
37 . 1 43 THR C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -145.00 -97.00 -114.70 -106.47 -111.06 1.54 6 0 "[ . 1 . 2]"
38 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 TYR N 107.00 163.00 122.89 120.96 119.54 . . 0 "[ . 1 . 2]"
39 . 1 44 VAL C 1 45 TYR N 1 45 TYR CA 1 45 TYR C -105.00 -65.00 -79.70 -105.98 -66.71 0.98 3 0 "[ . 1 . 2]"
40 . 1 45 TYR N 1 45 TYR CA 1 45 TYR C 1 46 ASN N 84.00 172.00 81.65 78.44 87.77 5.56 3 2 "[ + . 1 - . 2]"
41 . 1 47 ASN C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -80.00 -40.00 -65.25 -56.49 -58.78 . . 0 "[ . 1 . 2]"
42 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 MET N -53.00 -13.00 -29.88 -26.68 -28.82 . . 0 "[ . 1 . 2]"
43 . 1 48 ALA C 1 49 MET N 1 49 MET CA 1 49 MET C -115.00 -47.00 -65.68 -59.76 -61.91 . . 0 "[ . 1 . 2]"
44 . 1 49 MET N 1 49 MET CA 1 49 MET C 1 50 SER N -64.00 12.00 -24.01 -32.50 -17.06 . . 0 "[ . 1 . 2]"
45 . 1 49 MET C 1 50 SER N 1 50 SER CA 1 50 SER C -83.00 -43.00 -69.10 -81.47 -58.67 . . 0 "[ . 1 . 2]"
46 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 ALA N -59.00 -19.00 -28.65 -40.97 -23.03 . . 0 "[ . 1 . 2]"
47 . 1 50 SER C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -82.00 -42.00 -63.57 -57.64 -60.61 . . 0 "[ . 1 . 2]"
48 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 ALA N -65.00 -25.00 -53.06 -59.62 -38.30 . . 0 "[ . 1 . 2]"
49 . 1 51 ALA C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -87.00 -47.00 -69.13 -66.63 -67.87 . . 0 "[ . 1 . 2]"
50 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 HIS N -57.00 -17.00 -32.27 -30.89 -31.42 . . 0 "[ . 1 . 2]"
51 . 1 52 ALA C 1 53 HIS N 1 53 HIS CA 1 53 HIS C -85.00 -45.00 -65.56 -75.32 -60.01 . . 0 "[ . 1 . 2]"
52 . 1 53 HIS N 1 53 HIS CA 1 53 HIS C 1 54 ASN N -64.00 -24.00 -42.63 -51.57 -35.86 . . 0 "[ . 1 . 2]"
53 . 1 53 HIS C 1 54 ASN N 1 54 ASN CA 1 54 ASN C -86.00 -46.00 -68.69 -75.01 -63.29 . . 0 "[ . 1 . 2]"
54 . 1 54 ASN N 1 54 ASN CA 1 54 ASN C 1 55 LEU N -59.00 -19.00 -27.25 -28.05 -30.33 0.99 18 0 "[ . 1 . 2]"
55 . 1 54 ASN C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -86.00 -46.00 -65.66 -77.18 -56.13 . . 0 "[ . 1 . 2]"
56 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ALA N -60.00 -20.00 -48.50 -57.49 -41.75 . . 0 "[ . 1 . 2]"
57 . 1 55 LEU C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -81.00 -41.00 -60.37 -59.53 -59.67 . . 0 "[ . 1 . 2]"
58 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 LEU N -63.00 -23.00 -36.47 -35.59 -36.27 . . 0 "[ . 1 . 2]"
59 . 1 56 ALA C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -86.00 -46.00 -64.85 -67.98 -69.03 . . 0 "[ . 1 . 2]"
60 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 ARG N -59.00 -19.00 -40.48 -37.78 -38.60 . . 0 "[ . 1 . 2]"
61 . 1 57 LEU C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -84.00 -44.00 -60.95 -64.88 -54.84 . . 0 "[ . 1 . 2]"
62 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 GLU N -59.00 -19.00 -30.62 -28.83 -29.94 . . 0 "[ . 1 . 2]"
63 . 1 58 ARG C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -84.00 -44.00 -75.56 -79.97 -71.77 . . 0 "[ . 1 . 2]"
64 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 LEU N -56.00 -16.00 -53.48 -56.97 -50.29 0.97 8 0 "[ . 1 . 2]"
65 . 1 59 GLU C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -86.00 -46.00 -55.62 -56.56 -57.43 . . 0 "[ . 1 . 2]"
66 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 TYR N -60.00 -20.00 -31.51 -35.91 -27.84 . . 0 "[ . 1 . 2]"
67 . 1 60 LEU C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -83.00 -43.00 -75.14 -75.90 -76.30 . . 0 "[ . 1 . 2]"
68 . 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 ASN N -64.00 -24.00 -47.50 -52.95 -41.52 . . 0 "[ . 1 . 2]"
69 . 1 61 TYR C 1 62 ASN N 1 62 ASN CA 1 62 ASN C -81.00 -41.00 -62.72 -61.93 -62.35 . . 0 "[ . 1 . 2]"
70 . 1 62 ASN N 1 62 ASN CA 1 62 ASN C 1 63 LYS N -63.00 -23.00 -22.44 -21.95 -22.03 2.25 12 0 "[ . 1 . 2]"
71 . 1 62 ASN C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -94.00 -54.00 -80.91 -85.95 -77.02 . . 0 "[ . 1 . 2]"
72 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 TYR N -61.00 -21.00 -60.01 -58.62 -60.46 1.05 16 0 "[ . 1 . 2]"
73 . 1 68 GLY C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -142.00 -102.00 -127.64 -129.57 -130.45 . . 0 "[ . 1 . 2]"
74 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 GLU N 101.00 145.00 137.67 125.90 145.67 0.67 7 0 "[ . 1 . 2]"
75 . 1 69 PHE C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -145.00 -105.00 -139.52 -138.69 -140.24 0.24 16 0 "[ . 1 . 2]"
76 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 ILE N 107.00 155.00 151.00 150.05 148.60 4.94 11 0 "[ . 1 . 2]"
77 . 1 70 GLU C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -145.00 -89.00 -114.66 -131.00 -99.06 . . 0 "[ . 1 . 2]"
78 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 TYR N 109.00 149.00 126.25 124.64 117.86 . . 0 "[ . 1 . 2]"
79 . 1 71 ILE C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -123.00 -75.00 -111.13 -123.52 -96.56 0.52 19 0 "[ . 1 . 2]"
80 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 GLN N 103.00 147.00 100.71 99.83 99.32 3.83 10 0 "[ . 1 . 2]"
81 . 1 72 TYR C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -151.00 -71.00 -95.74 -83.49 -90.72 . . 0 "[ . 1 . 2]"
82 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 ILE N 108.00 148.00 131.54 125.97 123.77 . . 0 "[ . 1 . 2]"
83 . 1 73 GLN C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -140.00 -84.00 -113.86 -136.86 -86.58 . . 0 "[ . 1 . 2]"
84 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 SER N 109.00 161.00 119.19 107.80 130.31 1.20 6 0 "[ . 1 . 2]"
85 . 1 74 ILE C 1 75 SER N 1 75 SER CA 1 75 SER C -132.00 -72.00 -92.27 -105.11 -77.77 . . 0 "[ . 1 . 2]"
86 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 LEU N 93.00 153.00 128.57 111.60 142.10 . . 0 "[ . 1 . 2]"
87 . 1 79 ASP C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -77.00 -37.00 -73.13 -80.15 -58.84 3.15 7 0 "[ . 1 . 2]"
88 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 HIS N -64.00 -16.00 -28.54 -52.14 -13.99 2.01 6 0 "[ . 1 . 2]"
89 . 1 80 GLU C 1 81 HIS N 1 81 HIS CA 1 81 HIS C -84.00 -44.00 -67.98 -79.90 -52.07 . . 0 "[ . 1 . 2]"
90 . 1 81 HIS N 1 81 HIS CA 1 81 HIS C 1 82 PHE N -59.00 -19.00 -45.44 -32.85 -39.97 0.50 16 0 "[ . 1 . 2]"
91 . 1 81 HIS C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -88.00 -48.00 -72.27 -88.63 -60.61 0.63 2 0 "[ . 1 . 2]"
92 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 TRP N -61.00 -21.00 -41.01 -48.90 -30.48 . . 0 "[ . 1 . 2]"
93 . 1 82 PHE C 1 83 TRP N 1 83 TRP CA 1 83 TRP C -84.00 -44.00 -60.21 -57.56 -59.68 . . 0 "[ . 1 . 2]"
94 . 1 83 TRP N 1 83 TRP CA 1 83 TRP C 1 84 LYS N -60.00 -20.00 -50.51 -49.60 -51.25 0.05 16 0 "[ . 1 . 2]"
95 . 1 83 TRP C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -84.00 -44.00 -62.54 -68.34 -52.57 . . 0 "[ . 1 . 2]"
96 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 THR N -67.00 -27.00 -47.97 -61.72 -38.91 . . 0 "[ . 1 . 2]"
97 . 1 84 LYS C 1 85 THR N 1 85 THR CA 1 85 THR C -85.00 -45.00 -65.88 -66.03 -67.18 . . 0 "[ . 1 . 2]"
98 . 1 85 THR N 1 85 THR CA 1 85 THR C 1 86 SER N -57.00 -17.00 -37.31 -39.06 -40.15 . . 0 "[ . 1 . 2]"
99 . 1 85 THR C 1 86 SER N 1 86 SER CA 1 86 SER C -85.00 -45.00 -77.53 -85.58 -67.69 0.58 15 0 "[ . 1 . 2]"
100 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 ALA N -60.00 -20.00 -39.09 -43.28 -44.99 . . 0 "[ . 1 . 2]"
101 . 1 86 SER C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -86.00 -46.00 -78.29 -88.90 -58.85 2.90 3 0 "[ . 1 . 2]"
102 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ASP N -59.00 -19.00 -24.94 -40.58 -17.74 1.26 9 0 "[ . 1 . 2]"
103 . 1 87 ALA C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -95.00 -47.00 -61.83 -73.43 -50.15 . . 0 "[ . 1 . 2]"
104 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 ASN N -53.00 -9.00 -28.00 -13.63 -23.02 0.86 3 0 "[ . 1 . 2]"
105 . 1 88 ASP C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -128.00 -64.00 -101.07 -104.26 -108.67 . . 0 "[ . 1 . 2]"
106 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 LEU N -24.00 16.00 10.05 13.49 13.00 0.45 7 0 "[ . 1 . 2]"
107 . 1 94 CYS C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -167.00 -115.00 -117.07 -117.63 -119.45 1.21 3 0 "[ . 1 . 2]"
108 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 ARG N 136.00 -172.00 162.24 173.25 172.17 . . 0 "[ . 1 . 2]"
109 . 1 95 VAL C 1 96 ARG N 1 96 ARG CA 1 96 ARG C -148.00 -96.00 -122.16 -124.47 -125.57 . . 0 "[ . 1 . 2]"
110 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 ASP N 111.00 163.00 139.33 129.87 144.51 . . 0 "[ . 1 . 2]"
111 . 1 96 ARG C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -106.00 -66.00 -85.57 -76.48 -79.97 0.50 12 0 "[ . 1 . 2]"
112 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 ALA N 68.00 168.00 150.42 111.29 168.74 0.74 1 0 "[ . 1 . 2]"
113 . 1 97 ASP C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -81.00 -41.00 -80.90 -82.77 -71.22 1.77 19 0 "[ . 1 . 2]"
114 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 ASN N -42.00 -2.00 -22.14 -29.17 -32.82 0.25 10 0 "[ . 1 . 2]"
115 . 1 98 ALA C 1 99 ASN N 1 99 ASN CA 1 99 ASN C -122.00 -70.00 -112.47 -110.01 -113.75 1.54 20 0 "[ . 1 . 2]"
116 . 1 99 ASN N 1 99 ASN CA 1 99 ASN C 1 100 GLY N -11.00 29.00 -9.55 -14.78 32.18 3.78 19 0 "[ . 1 . 2]"
117 . 1 103 SER C 1 104 SER N 1 104 SER CA 1 104 SER C -82.00 -42.00 -60.81 -62.53 -63.31 . . 0 "[ . 1 . 2]"
118 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 TYR N -51.00 -7.00 -30.10 -30.88 -31.26 . . 0 "[ . 1 . 2]"
119 . 1 104 SER C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -86.00 -46.00 -61.01 -61.70 -63.53 . . 0 "[ . 1 . 2]"
120 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 ILE N -58.00 -18.00 -44.45 -36.89 -38.93 . . 0 "[ . 1 . 2]"
121 . 1 105 TYR C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -83.00 -43.00 -57.81 -64.27 -52.94 . . 0 "[ . 1 . 2]"
122 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 SER N -61.00 -21.00 -36.93 -46.34 -28.94 . . 0 "[ . 1 . 2]"
123 . 1 106 ILE C 1 107 SER N 1 107 SER CA 1 107 SER C -85.00 -45.00 -72.58 -80.44 -66.12 . . 0 "[ . 1 . 2]"
124 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 LEU N -59.00 -19.00 -29.67 -33.30 -35.64 0.40 8 0 "[ . 1 . 2]"
125 . 1 107 SER C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -85.00 -45.00 -70.73 -82.33 -62.92 . . 0 "[ . 1 . 2]"
126 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 TYR N -57.00 -17.00 -32.71 -35.25 -37.23 . . 0 "[ . 1 . 2]"
127 . 1 108 LEU C 1 109 TYR N 1 109 TYR CA 1 109 TYR C -122.00 -70.00 -79.39 -98.27 -69.80 0.20 1 0 "[ . 1 . 2]"
128 . 1 109 TYR N 1 109 TYR CA 1 109 TYR C 1 110 ASN N -50.00 34.00 -17.39 -12.81 -19.42 0.96 17 0 "[ . 1 . 2]"
129 . 1 114 LEU C 1 115 PRO N 1 115 PRO CA 1 115 PRO C -84.00 -44.00 -69.01 -51.22 -62.94 . . 0 "[ . 1 . 2]"
130 . 1 115 PRO N 1 115 PRO CA 1 115 PRO C 1 116 SER N 134.00 174.00 154.32 139.97 166.86 . . 0 "[ . 1 . 2]"
131 . 1 115 PRO C 1 116 SER N 1 116 SER CA 1 116 SER C -169.00 -121.00 -142.14 -140.26 -142.22 . . 0 "[ . 1 . 2]"
132 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 VAL N 137.00 177.00 169.88 146.38 178.57 1.57 10 0 "[ . 1 . 2]"
133 . 1 116 SER C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -142.00 -102.00 -137.30 -142.45 -142.82 2.08 7 0 "[ . 1 . 2]"
134 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 PHE N 116.00 168.00 156.12 143.48 162.21 . . 0 "[ . 1 . 2]"
135 . 1 117 VAL C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -152.00 -104.00 -139.07 -141.09 -143.30 . . 0 "[ . 1 . 2]"
136 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 LEU N 128.00 168.00 159.97 160.16 158.68 . . 0 "[ . 1 . 2]"
137 . 1 118 PHE C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -158.00 -114.00 -112.15 -111.06 -111.46 4.39 6 0 "[ . 1 . 2]"
138 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 VAL N 110.00 150.00 139.29 131.67 150.35 0.35 11 0 "[ . 1 . 2]"
139 . 1 119 LEU C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -141.00 -101.00 -134.31 -138.99 -140.95 0.67 10 0 "[ . 1 . 2]"
140 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 ASN N 118.00 162.00 127.27 117.25 146.30 0.75 14 0 "[ . 1 . 2]"
141 . 1 124 ASN C 1 125 GLU N 1 125 GLU CA 1 125 GLU C 174.00 -70.00 -121.05 -91.45 -96.23 . . 0 "[ . 1 . 2]"
142 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 LEU N 98.00 -166.00 135.71 116.05 150.74 . . 0 "[ . 1 . 2]"
143 . 1 125 GLU C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -94.00 -54.00 -64.58 -64.86 -67.42 1.93 11 0 "[ . 1 . 2]"
144 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 SER N 108.00 148.00 112.95 106.80 130.79 1.20 4 0 "[ . 1 . 2]"
145 . 1 126 LEU C 1 127 SER N 1 127 SER CA 1 127 SER C -112.00 -72.00 -80.50 -101.63 -71.55 0.45 13 0 "[ . 1 . 2]"
146 . 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 ALA N -61.00 -21.00 -53.32 -61.56 -42.47 0.56 11 0 "[ . 1 . 2]"
147 . 1 127 SER C 1 128 ALA N 1 128 ALA CA 1 128 ALA C 179.00 -129.00 -168.44 -175.70 179.96 0.05 1 0 "[ . 1 . 2]"
148 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 ARG N 128.00 172.00 169.47 153.83 173.60 1.60 17 0 "[ . 1 . 2]"
149 . 1 128 ALA C 1 129 ARG N 1 129 ARG CA 1 129 ARG C -155.00 -55.00 -94.06 -110.58 -75.37 . . 0 "[ . 1 . 2]"
150 . 1 129 ARG N 1 129 ARG CA 1 129 ARG C 1 130 GLY N 125.00 173.00 158.36 167.50 163.83 2.39 4 0 "[ . 1 . 2]"
151 . 1 135 ASP C 1 136 LEU N 1 136 LEU CA 1 136 LEU C -75.00 -35.00 -71.27 -77.67 -53.66 2.67 3 0 "[ . 1 . 2]"
152 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C 1 137 ASP N -63.00 -23.00 -31.30 -30.48 -32.53 0.76 19 0 "[ . 1 . 2]"
153 . 1 136 LEU C 1 137 ASP N 1 137 ASP CA 1 137 ASP C -79.00 -39.00 -52.45 -60.73 -46.93 . . 0 "[ . 1 . 2]"
154 . 1 137 ASP N 1 137 ASP CA 1 137 ASP C 1 138 GLU N -66.00 -18.00 -54.61 -41.10 -51.28 . . 0 "[ . 1 . 2]"
155 . 1 137 ASP C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -81.00 -41.00 -60.58 -70.80 -50.28 . . 0 "[ . 1 . 2]"
156 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 ALA N -62.00 -22.00 -43.58 -52.22 -32.61 . . 0 "[ . 1 . 2]"
157 . 1 138 GLU C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -85.00 -45.00 -61.22 -71.60 -53.89 . . 0 "[ . 1 . 2]"
158 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 ILE N -59.00 -19.00 -52.11 -54.87 -56.00 . . 0 "[ . 1 . 2]"
159 . 1 139 ALA C 1 140 ILE N 1 140 ILE CA 1 140 ILE C -83.00 -43.00 -61.22 -60.64 -61.15 . . 0 "[ . 1 . 2]"
160 . 1 140 ILE N 1 140 ILE CA 1 140 ILE C 1 141 LYS N -65.00 -25.00 -38.88 -46.08 -29.68 . . 0 "[ . 1 . 2]"
161 . 1 140 ILE C 1 141 LYS N 1 141 LYS CA 1 141 LYS C -78.00 -38.00 -59.18 -58.92 -59.35 . . 0 "[ . 1 . 2]"
162 . 1 141 LYS N 1 141 LYS CA 1 141 LYS C 1 142 LYS N -65.00 -25.00 -45.13 -50.83 -53.41 . . 0 "[ . 1 . 2]"
163 . 1 141 LYS C 1 142 LYS N 1 142 LYS CA 1 142 LYS C -84.00 -44.00 -76.90 -66.32 -67.27 1.02 4 0 "[ . 1 . 2]"
164 . 1 142 LYS N 1 142 LYS CA 1 142 LYS C 1 143 LEU N -60.00 -20.00 -21.24 -21.53 -23.45 2.87 6 0 "[ . 1 . 2]"
165 . 1 142 LYS C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -86.00 -46.00 -71.06 -83.71 -62.20 . . 0 "[ . 1 . 2]"
166 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 LEU N -58.00 -18.00 -39.51 -40.81 -41.72 . . 0 "[ . 1 . 2]"
167 . 1 143 LEU C 1 144 LEU N 1 144 LEU CA 1 144 LEU C -89.00 -49.00 -66.73 -84.63 -52.64 . . 0 "[ . 1 . 2]"
168 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C 1 145 GLU N -58.00 -10.00 -45.27 -59.35 -32.73 1.35 9 0 "[ . 1 . 2]"
169 . 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 1 42 PHE CD1 80.00 100.00 85.95 79.71 90.93 0.29 4 0 "[ . 1 . 2]"
170 . 1 69 PHE CA 1 69 PHE CB 1 69 PHE CG 1 69 PHE CD1 80.00 100.00 78.10 76.56 78.97 3.44 18 0 "[ . 1 . 2]"
171 . 1 82 PHE CA 1 82 PHE CB 1 82 PHE CG 1 82 PHE CD1 80.00 100.00 79.71 84.98 79.88 3.18 16 0 "[ . 1 . 2]"
172 . 1 118 PHE CA 1 118 PHE CB 1 118 PHE CG 1 118 PHE CD1 80.00 100.00 85.00 78.29 92.45 1.71 18 0 "[ . 1 . 2]"
173 . 1 45 TYR CA 1 45 TYR CB 1 45 TYR CG 1 45 TYR CD1 80.00 100.00 77.28 75.90 79.51 4.10 4 0 "[ . 1 . 2]"
174 . 1 61 TYR CA 1 61 TYR CB 1 61 TYR CG 1 61 TYR CD1 80.00 100.00 78.82 76.84 85.27 3.16 11 0 "[ . 1 . 2]"
175 . 1 64 TYR CA 1 64 TYR CB 1 64 TYR CG 1 64 TYR CD1 80.00 100.00 100.56 91.55 103.65 3.65 16 0 "[ . 1 . 2]"
176 . 1 72 TYR CA 1 72 TYR CB 1 72 TYR CG 1 72 TYR CD1 80.00 100.00 82.10 78.45 97.24 1.55 8 0 "[ . 1 . 2]"
177 . 1 102 TYR CA 1 102 TYR CB 1 102 TYR CG 1 102 TYR CD1 80.00 100.00 99.45 100.60 100.53 1.65 15 0 "[ . 1 . 2]"
178 . 1 105 TYR CA 1 105 TYR CB 1 105 TYR CG 1 105 TYR CD1 80.00 100.00 96.33 82.89 100.96 0.96 8 0 "[ . 1 . 2]"
179 . 1 109 TYR CA 1 109 TYR CB 1 109 TYR CG 1 109 TYR CD1 80.00 100.00 102.08 100.53 103.54 3.54 7 0 "[ . 1 . 2]"
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