NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
475158 |
2kmd   |
16426 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kmd
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 145
_TA_constraint_stats_list.Viol_count 98
_TA_constraint_stats_list.Viol_total 1798.11
_TA_constraint_stats_list.Viol_max 3.29
_TA_constraint_stats_list.Viol_rms 0.23
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.92
_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 9 VAL C 1 10 PRO N 1 10 PRO CA 1 10 PRO C -99.00 -19.00 -68.76 -91.42 -48.06 . . 0 "[ . 1 . 2]"
2 . 1 11 LEU C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -172.00 0.00 -112.23 -108.62 -127.57 . . 0 "[ . 1 . 2]"
3 . 1 17 LYS C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -111.00 -31.00 -66.88 -79.47 -57.44 . . 0 "[ . 1 . 2]"
4 . 1 18 GLU C 1 19 MET N 1 19 MET CA 1 19 MET C -107.00 -27.00 -69.39 -58.09 -64.62 . . 0 "[ . 1 . 2]"
5 . 1 19 MET C 1 20 MET N 1 20 MET CA 1 20 MET C -104.00 -24.00 -60.34 -72.91 -55.91 . . 0 "[ . 1 . 2]"
6 . 1 20 MET C 1 21 SER N 1 21 SER CA 1 21 SER C -103.00 -23.00 -72.99 -61.43 -66.25 . . 0 "[ . 1 . 2]"
7 . 1 21 SER C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -103.00 -23.00 -50.05 -45.25 -47.46 . . 0 "[ . 1 . 2]"
8 . 1 22 GLN C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -105.00 -25.00 -64.94 -54.67 -57.68 . . 0 "[ . 1 . 2]"
9 . 1 23 ALA C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -102.00 -22.00 -61.73 -82.91 -54.42 . . 0 "[ . 1 . 2]"
10 . 1 24 LEU C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -104.00 -24.00 -66.30 -77.07 -57.17 . . 0 "[ . 1 . 2]"
11 . 1 25 LYS C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -104.00 -24.00 -68.19 -73.72 -75.58 . . 0 "[ . 1 . 2]"
12 . 1 26 ALA C 1 27 THR N 1 27 THR CA 1 27 THR C -108.00 -28.00 -66.21 -59.32 -62.83 . . 0 "[ . 1 . 2]"
13 . 1 27 THR C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -141.00 -13.00 -69.23 -102.76 -43.58 . . 0 "[ . 1 . 2]"
14 . 1 28 PHE C 1 29 SER N 1 29 SER CA 1 29 SER C -103.00 -23.00 -64.56 -76.09 -52.74 . . 0 "[ . 1 . 2]"
15 . 1 29 SER C 1 30 GLY N 1 30 GLY CA 1 30 GLY C -107.00 -27.00 -77.15 -78.23 -79.21 . . 0 "[ . 1 . 2]"
16 . 1 30 GLY C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -101.00 -21.00 -92.50 -101.52 -77.62 0.52 17 0 "[ . 1 . 2]"
17 . 1 31 PHE C 1 32 THR N 1 32 THR CA 1 32 THR C -104.00 -24.00 -56.53 -65.25 -53.71 . . 0 "[ . 1 . 2]"
18 . 1 32 THR C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -102.00 -22.00 -62.69 -63.35 -63.93 . . 0 "[ . 1 . 2]"
19 . 1 33 LYS C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -107.00 -27.00 -80.75 -83.60 -84.38 . . 0 "[ . 1 . 2]"
20 . 1 34 GLU C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -99.00 -19.00 -58.97 -56.14 -56.43 . . 0 "[ . 1 . 2]"
21 . 1 35 GLN C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -103.00 -23.00 -83.51 -88.44 -78.84 . . 0 "[ . 1 . 2]"
22 . 1 36 GLN C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -104.00 -24.00 -72.09 -67.65 -69.51 . . 0 "[ . 1 . 2]"
23 . 1 37 ARG C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -146.00 -36.00 -100.29 -106.60 -89.16 . . 0 "[ . 1 . 2]"
24 . 1 39 GLY C 1 40 ILE N 1 40 ILE CA 1 40 ILE C 147.00 3.00 -54.78 -53.62 -54.93 . . 0 "[ . 1 . 2]"
25 . 1 40 ILE C 1 41 PRO N 1 41 PRO CA 1 41 PRO C -99.00 -19.00 -70.96 -71.73 -72.62 . . 0 "[ . 1 . 2]"
26 . 1 46 GLN C 1 47 TRP N 1 47 TRP CA 1 47 TRP C -171.00 -63.00 -112.67 -122.07 -97.69 . . 0 "[ . 1 . 2]"
27 . 1 47 TRP C 1 48 THR N 1 48 THR CA 1 48 THR C 166.00 -4.00 -133.03 -137.36 -127.04 . . 0 "[ . 1 . 2]"
28 . 1 48 THR C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -105.00 -25.00 -50.83 -53.55 -49.31 . . 0 "[ . 1 . 2]"
29 . 1 49 GLU C 1 50 THR N 1 50 THR CA 1 50 THR C -106.00 -26.00 -64.44 -68.72 -58.16 . . 0 "[ . 1 . 2]"
30 . 1 50 THR C 1 51 HIS N 1 51 HIS CA 1 51 HIS C -102.00 -22.00 -61.09 -64.19 -58.45 . . 0 "[ . 1 . 2]"
31 . 1 51 HIS C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -103.00 -23.00 -61.94 -60.71 -61.28 . . 0 "[ . 1 . 2]"
32 . 1 52 VAL C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -103.00 -23.00 -67.77 -68.21 -68.80 . . 0 "[ . 1 . 2]"
33 . 1 53 ARG C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -108.00 -28.00 -58.80 -56.77 -57.03 . . 0 "[ . 1 . 2]"
34 . 1 54 ASP C 1 55 TRP N 1 55 TRP CA 1 55 TRP C -107.00 -27.00 -67.46 -70.34 -71.84 . . 0 "[ . 1 . 2]"
35 . 1 55 TRP C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -103.00 -23.00 -41.28 -42.87 -39.69 . . 0 "[ . 1 . 2]"
36 . 1 56 VAL C 1 57 MET N 1 57 MET CA 1 57 MET C -102.00 -22.00 -56.93 -60.82 -53.39 . . 0 "[ . 1 . 2]"
37 . 1 57 MET C 1 58 TRP N 1 58 TRP CA 1 58 TRP C -103.00 -23.00 -58.62 -58.32 -59.18 . . 0 "[ . 1 . 2]"
38 . 1 58 TRP C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -99.00 -19.00 -71.66 -66.49 -67.29 . . 0 "[ . 1 . 2]"
39 . 1 59 ALA C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -102.00 -22.00 -77.12 -53.10 -76.30 . . 0 "[ . 1 . 2]"
40 . 1 60 VAL C 1 61 ASN N 1 61 ASN CA 1 61 ASN C -102.00 -22.00 -82.87 -79.65 -81.16 . . 0 "[ . 1 . 2]"
41 . 1 61 ASN C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -99.00 -19.00 -72.16 -68.27 -70.15 . . 0 "[ . 1 . 2]"
42 . 1 62 GLU C 1 63 PHE N 1 63 PHE CA 1 63 PHE C -157.00 -25.00 -103.78 -109.70 -100.48 . . 0 "[ . 1 . 2]"
43 . 1 67 GLY C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -139.00 -35.00 -77.01 -78.07 -78.86 . . 0 "[ . 1 . 2]"
44 . 1 68 VAL C 1 69 ASP N 1 69 ASP CA 1 69 ASP C 179.00 -27.00 -106.31 -105.71 -108.98 . . 0 "[ . 1 . 2]"
45 . 1 69 ASP C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -100.00 -20.00 -88.13 -90.34 -95.41 . . 0 "[ . 1 . 2]"
46 . 1 70 PHE C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -105.00 -25.00 -62.04 -63.22 -63.72 . . 0 "[ . 1 . 2]"
47 . 1 71 GLN C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -105.00 -25.00 -67.13 -70.41 -65.32 . . 0 "[ . 1 . 2]"
48 . 1 77 GLY C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -101.00 -21.00 -54.07 -52.66 -53.03 . . 0 "[ . 1 . 2]"
49 . 1 78 ALA C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -104.00 -24.00 -71.91 -72.32 -72.63 . . 0 "[ . 1 . 2]"
50 . 1 79 ALA C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -99.00 -19.00 -56.13 -55.79 -55.95 . . 0 "[ . 1 . 2]"
51 . 1 80 LEU C 1 81 CYS N 1 81 CYS CA 1 81 CYS C -108.00 -28.00 -65.91 -65.85 -66.48 . . 0 "[ . 1 . 2]"
52 . 1 81 CYS C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -132.00 -36.00 -64.40 -68.85 -60.75 . . 0 "[ . 1 . 2]"
53 . 1 84 GLY C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -100.00 -20.00 -60.83 -63.59 -59.06 . . 0 "[ . 1 . 2]"
54 . 1 85 LYS C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -103.00 -23.00 -51.11 -51.47 -52.37 . . 0 "[ . 1 . 2]"
55 . 1 86 GLU C 1 87 CYS N 1 87 CYS CA 1 87 CYS C -104.00 -24.00 -62.43 -70.27 -55.75 . . 0 "[ . 1 . 2]"
56 . 1 87 CYS C 1 88 PHE N 1 88 PHE CA 1 88 PHE C -105.00 -25.00 -62.43 -64.17 -59.78 . . 0 "[ . 1 . 2]"
57 . 1 88 PHE C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -100.00 -20.00 -65.35 -65.04 -65.45 . . 0 "[ . 1 . 2]"
58 . 1 92 ALA C 1 93 PRO N 1 93 PRO CA 1 93 PRO C -103.00 -23.00 -51.93 -47.14 -48.53 . . 0 "[ . 1 . 2]"
59 . 1 94 ASP C 1 95 PHE N 1 95 PHE CA 1 95 PHE C -106.00 -26.00 -108.34 -108.10 -108.20 3.29 16 0 "[ . 1 . 2]"
60 . 1 95 PHE C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -105.00 -25.00 -60.89 -64.15 -57.18 . . 0 "[ . 1 . 2]"
61 . 1 96 VAL C 1 97 GLY N 1 97 GLY CA 1 97 GLY C -104.00 -24.00 -53.99 -60.22 -49.72 . . 0 "[ . 1 . 2]"
62 . 1 97 GLY C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -101.00 -21.00 -66.94 -63.17 -64.56 . . 0 "[ . 1 . 2]"
63 . 1 98 ASP C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -107.00 -27.00 -58.13 -63.64 -51.29 . . 0 "[ . 1 . 2]"
64 . 1 99 ILE C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -105.00 -25.00 -56.46 -67.50 -49.74 . . 0 "[ . 1 . 2]"
65 . 1 100 LEU C 1 101 TRP N 1 101 TRP CA 1 101 TRP C -102.00 -22.00 -62.04 -61.47 -61.74 . . 0 "[ . 1 . 2]"
66 . 1 101 TRP C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -107.00 -27.00 -61.52 -56.47 -58.31 . . 0 "[ . 1 . 2]"
67 . 1 102 GLU C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -115.00 -29.00 -71.30 -76.45 -66.71 . . 0 "[ . 1 . 2]"
68 . 1 103 HIS C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -96.00 -16.00 -59.15 -60.27 -61.02 . . 0 "[ . 1 . 2]"
69 . 1 104 LEU C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -103.00 -23.00 -66.77 -67.29 -67.58 . . 0 "[ . 1 . 2]"
70 . 1 105 GLU C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -103.00 -23.00 -61.73 -58.64 -59.18 . . 0 "[ . 1 . 2]"
71 . 1 106 ILE C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -103.00 -23.00 -60.33 -68.63 -51.63 . . 0 "[ . 1 . 2]"
72 . 1 107 LEU C 1 108 GLN N 1 108 GLN CA 1 108 GLN C -114.00 -34.00 -62.17 -63.00 -64.82 . . 0 "[ . 1 . 2]"
73 . 1 10 PRO N 1 10 PRO CA 1 10 PRO C 1 11 LEU N 105.00 -175.00 136.49 135.55 126.17 1.06 17 0 "[ . 1 . 2]"
74 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 SER N 96.00 180.00 148.21 95.75 -178.64 1.36 16 0 "[ . 1 . 2]"
75 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 GLU N -39.00 -19.00 -35.98 -31.48 -36.38 2.08 20 0 "[ . 1 . 2]"
76 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 MET N -40.00 -20.00 -36.84 -28.53 -32.72 0.91 12 0 "[ . 1 . 2]"
77 . 1 19 MET N 1 19 MET CA 1 19 MET C 1 20 MET N -47.00 -27.00 -34.27 -46.38 -26.42 0.58 18 0 "[ . 1 . 2]"
78 . 1 20 MET N 1 20 MET CA 1 20 MET C 1 21 SER N -49.00 -29.00 -41.96 -35.40 -38.09 . . 0 "[ . 1 . 2]"
79 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 GLN N -47.00 -27.00 -32.08 -37.79 -38.49 0.66 10 0 "[ . 1 . 2]"
80 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 ALA N -52.00 -32.00 -51.32 -52.57 -52.71 0.93 11 0 "[ . 1 . 2]"
81 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 LEU N -49.00 -29.00 -42.53 -44.62 -45.22 0.86 13 0 "[ . 1 . 2]"
82 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 LYS N -53.00 -33.00 -42.06 -35.19 -38.61 0.56 15 0 "[ . 1 . 2]"
83 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 ALA N -48.00 -28.00 -36.74 -47.55 -27.44 0.56 15 0 "[ . 1 . 2]"
84 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 THR N -51.00 -31.00 -35.19 -51.15 -29.93 1.07 3 0 "[ . 1 . 2]"
85 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 PHE N -49.00 -29.00 -38.31 -50.13 -28.19 1.13 12 0 "[ . 1 . 2]"
86 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 SER N -134.00 98.00 -5.02 -61.33 74.41 . . 0 "[ . 1 . 2]"
87 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 GLY N -70.00 10.00 -32.15 -30.92 -32.55 . . 0 "[ . 1 . 2]"
88 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 PHE N -81.00 -1.00 -11.29 -0.75 -0.81 0.29 16 0 "[ . 1 . 2]"
89 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 THR N -103.00 31.00 -48.35 -51.08 -53.73 . . 0 "[ . 1 . 2]"
90 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 LYS N -83.00 19.00 -35.18 -42.24 -24.56 . . 0 "[ . 1 . 2]"
91 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 GLU N -80.00 0.00 -33.08 -30.64 -31.27 . . 0 "[ . 1 . 2]"
92 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 GLN N -78.00 2.00 -40.52 -48.17 -31.68 . . 0 "[ . 1 . 2]"
93 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 GLN N -85.00 -5.00 -28.97 -29.61 -30.90 . . 0 "[ . 1 . 2]"
94 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 ARG N -76.00 4.00 -32.25 -40.88 -13.61 . . 0 "[ . 1 . 2]"
95 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 LEU N -75.00 5.00 -37.58 -43.21 -30.64 . . 0 "[ . 1 . 2]"
96 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 GLY N -55.00 47.00 -30.05 -31.17 -32.14 . . 0 "[ . 1 . 2]"
97 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 PRO N 57.00 -143.00 124.86 119.21 129.44 . . 0 "[ . 1 . 2]"
98 . 1 41 PRO N 1 41 PRO CA 1 41 PRO C 1 42 LYS N 102.00 -178.00 171.40 168.94 167.72 . . 0 "[ . 1 . 2]"
99 . 1 47 TRP N 1 47 TRP CA 1 47 TRP C 1 48 THR N 75.00 -153.00 170.68 168.33 166.19 . . 0 "[ . 1 . 2]"
100 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 GLU N 107.00 -149.00 -178.41 -178.40 -178.86 . . 0 "[ . 1 . 2]"
101 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 THR N -74.00 6.00 -42.06 -49.63 -36.73 . . 0 "[ . 1 . 2]"
102 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 HIS N -80.00 0.00 -51.10 -51.69 -52.76 . . 0 "[ . 1 . 2]"
103 . 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 VAL N -86.00 -6.00 -41.34 -43.43 -39.07 . . 0 "[ . 1 . 2]"
104 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 ARG N -83.00 -3.00 -52.56 -56.14 -47.69 . . 0 "[ . 1 . 2]"
105 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 ASP N -78.00 2.00 -46.51 -46.71 -46.97 . . 0 "[ . 1 . 2]"
106 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 TRP N -76.00 4.00 -38.20 -43.21 -32.13 . . 0 "[ . 1 . 2]"
107 . 1 55 TRP N 1 55 TRP CA 1 55 TRP C 1 56 VAL N -83.00 -3.00 -62.66 -65.86 -60.33 . . 0 "[ . 1 . 2]"
108 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 MET N -83.00 -3.00 -51.70 -55.84 -45.41 . . 0 "[ . 1 . 2]"
109 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 TRP N -75.00 5.00 -47.28 -50.73 -45.02 . . 0 "[ . 1 . 2]"
110 . 1 58 TRP N 1 58 TRP CA 1 58 TRP C 1 59 ALA N -84.00 -4.00 -38.09 -38.84 -39.27 . . 0 "[ . 1 . 2]"
111 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 VAL N -82.00 -2.00 -24.07 -49.98 -17.06 . . 0 "[ . 1 . 2]"
112 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ASN N -80.00 0.00 -32.82 -35.91 -29.56 . . 0 "[ . 1 . 2]"
113 . 1 61 ASN N 1 61 ASN CA 1 61 ASN C 1 62 GLU N -79.00 1.00 -36.51 -46.92 -30.36 . . 0 "[ . 1 . 2]"
114 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 PHE N -76.00 4.00 -38.77 -40.73 -41.15 . . 0 "[ . 1 . 2]"
115 . 1 63 PHE N 1 63 PHE CA 1 63 PHE C 1 64 SER N -54.00 54.00 7.08 2.50 11.15 . . 0 "[ . 1 . 2]"
116 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 ASP N 89.00 169.00 134.38 128.19 142.71 . . 0 "[ . 1 . 2]"
117 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 PHE N 17.00 -155.00 136.83 128.68 152.90 . . 0 "[ . 1 . 2]"
118 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 GLN N -71.00 9.00 -24.40 -29.56 -9.85 . . 0 "[ . 1 . 2]"
119 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 LYS N -78.00 2.00 -34.38 -37.58 -42.83 . . 0 "[ . 1 . 2]"
120 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 PHE N -85.00 29.00 -34.54 -36.88 -29.57 . . 0 "[ . 1 . 2]"
121 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 ALA N -83.00 5.00 -38.90 -39.01 -39.23 . . 0 "[ . 1 . 2]"
122 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 LEU N -78.00 2.00 -45.32 -46.21 -46.41 . . 0 "[ . 1 . 2]"
123 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 CYS N -86.00 -6.00 -45.59 -44.89 -45.67 . . 0 "[ . 1 . 2]"
124 . 1 81 CYS N 1 81 CYS CA 1 81 CYS C 1 82 ALA N -77.00 19.00 -40.18 -42.45 -38.48 . . 0 "[ . 1 . 2]"
125 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 LEU N -114.00 62.00 -28.56 -31.25 -31.89 . . 0 "[ . 1 . 2]"
126 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 GLU N -82.00 -2.00 -47.52 -51.30 -53.28 . . 0 "[ . 1 . 2]"
127 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 CYS N -82.00 -2.00 -59.43 -67.35 -49.90 . . 0 "[ . 1 . 2]"
128 . 1 87 CYS N 1 87 CYS CA 1 87 CYS C 1 88 PHE N -80.00 0.00 -40.45 -42.67 -43.61 . . 0 "[ . 1 . 2]"
129 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 LEU N -81.00 -1.00 -44.13 -46.83 -41.25 . . 0 "[ . 1 . 2]"
130 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 GLU N -78.00 2.00 -27.17 -31.35 -23.13 . . 0 "[ . 1 . 2]"
131 . 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 ASP N 109.00 -171.00 170.01 167.25 166.20 . . 0 "[ . 1 . 2]"
132 . 1 95 PHE N 1 95 PHE CA 1 95 PHE C 1 96 VAL N -94.00 16.00 -54.68 -49.91 -50.63 . . 0 "[ . 1 . 2]"
133 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 GLY N -82.00 2.00 -34.75 -39.55 -31.25 . . 0 "[ . 1 . 2]"
134 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 ASP N -79.00 3.00 -36.98 -43.96 -32.13 . . 0 "[ . 1 . 2]"
135 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 ILE N -83.00 -3.00 -48.15 -46.35 -47.39 . . 0 "[ . 1 . 2]"
136 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 LEU N -83.00 -3.00 -54.30 -60.69 -46.44 . . 0 "[ . 1 . 2]"
137 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 TRP N -79.00 1.00 -57.52 -60.48 -53.08 . . 0 "[ . 1 . 2]"
138 . 1 101 TRP N 1 101 TRP CA 1 101 TRP C 1 102 GLU N -83.00 -3.00 -30.09 -36.10 -25.45 . . 0 "[ . 1 . 2]"
139 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 HIS N -102.00 38.00 -55.47 -55.51 -56.35 . . 0 "[ . 1 . 2]"
140 . 1 103 HIS N 1 103 HIS CA 1 103 HIS C 1 104 LEU N -82.00 12.00 -33.92 -32.84 -34.33 . . 0 "[ . 1 . 2]"
141 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 GLU N -85.00 -5.00 -46.26 -50.78 -39.39 . . 0 "[ . 1 . 2]"
142 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 ILE N -81.00 -1.00 -34.37 -41.81 -23.57 . . 0 "[ . 1 . 2]"
143 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 LEU N -83.00 -3.00 -41.03 -40.17 -41.51 . . 0 "[ . 1 . 2]"
144 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 GLN N -79.00 1.00 -39.55 -53.60 -33.62 . . 0 "[ . 1 . 2]"
145 . 1 108 GLN N 1 108 GLN CA 1 108 GLN C 1 109 LYS N -86.00 14.00 -49.40 -50.96 -53.10 . . 0 "[ . 1 . 2]"
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