NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557182 |
2m3k   |
18966 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m3k
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 176
_TA_constraint_stats_list.Viol_count 35
_TA_constraint_stats_list.Viol_total 70.92
_TA_constraint_stats_list.Viol_max 7.80
_TA_constraint_stats_list.Viol_rms 1.15
_TA_constraint_stats_list.Viol_average_all_restraints 0.40
_TA_constraint_stats_list.Viol_average_violations_only 2.03
_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 2 SER C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -82.00 -42.00 -67.08 -67.08 -67.08 . . 0 "[ ]"
2 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 PHE N -62.00 -22.00 -39.41 -39.41 -39.41 . . 0 "[ ]"
3 . 1 3 GLU C 1 4 PHE N 1 4 PHE CA 1 4 PHE C -87.00 -47.00 -54.82 -54.82 -54.82 . . 0 "[ ]"
4 . 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 GLU N -61.00 -21.00 -45.82 -45.82 -45.82 . . 0 "[ ]"
5 . 1 4 PHE C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -104.00 -30.00 -52.82 -52.82 -52.82 . . 0 "[ ]"
6 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 LYS N -58.00 -16.00 -59.32 -59.32 -59.32 1.32 1 0 "[ ]"
7 . 1 5 GLU C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -82.00 -42.00 -66.84 -66.84 -66.84 . . 0 "[ ]"
8 . 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 ALA N -63.00 -23.00 -35.37 -35.37 -35.37 . . 0 "[ ]"
9 . 1 6 LYS C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -81.00 -41.00 -69.78 -69.78 -69.78 . . 0 "[ ]"
10 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 LYS N -59.00 -19.00 -49.83 -49.83 -49.83 . . 0 "[ ]"
11 . 1 7 ALA C 1 8 LYS N 1 8 LYS CA 1 8 LYS C -86.00 -46.00 -66.90 -66.90 -66.90 . . 0 "[ ]"
12 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 ILE N -62.00 -22.00 -42.74 -42.74 -42.74 . . 0 "[ ]"
13 . 1 8 LYS C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -83.00 -43.00 -54.90 -54.90 -54.90 . . 0 "[ ]"
14 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 ASN N -63.00 -23.00 -53.09 -53.09 -53.09 . . 0 "[ ]"
15 . 1 9 ILE C 1 10 ASN N 1 10 ASN CA 1 10 ASN C -81.00 -41.00 -57.19 -57.19 -57.19 . . 0 "[ ]"
16 . 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 ALA N -64.00 -24.00 -40.70 -40.70 -40.70 . . 0 "[ ]"
17 . 1 10 ASN C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -84.00 -44.00 -58.37 -58.37 -58.37 . . 0 "[ ]"
18 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 VAL N -62.00 -22.00 -61.87 -61.87 -61.87 . . 0 "[ ]"
19 . 1 11 ALA C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -85.00 -45.00 -73.52 -73.52 -73.52 . . 0 "[ ]"
20 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 ARG N -63.00 -23.00 -24.11 -24.11 -24.11 . . 0 "[ ]"
21 . 1 12 VAL C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -82.00 -42.00 -66.03 -66.03 -66.03 . . 0 "[ ]"
22 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 ALA N -65.00 -25.00 -23.66 -23.66 -23.66 1.34 1 0 "[ ]"
23 . 1 13 ARG C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -79.00 -39.00 -63.71 -63.71 -63.71 . . 0 "[ ]"
24 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 ALA N -65.00 -25.00 -42.40 -42.40 -42.40 . . 0 "[ ]"
25 . 1 14 ALA C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -85.00 -45.00 -65.09 -65.09 -65.09 . . 0 "[ ]"
26 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LEU N -63.00 -23.00 -39.36 -39.36 -39.36 . . 0 "[ ]"
27 . 1 15 ALA C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -83.00 -43.00 -69.04 -69.04 -69.04 . . 0 "[ ]"
28 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 LEU N -62.00 -22.00 -17.11 -17.11 -17.11 4.89 1 0 "[ ]"
29 . 1 16 LEU C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -81.00 -41.00 -65.82 -65.82 -65.82 . . 0 "[ ]"
30 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLU N -61.00 -21.00 -32.78 -32.78 -32.78 . . 0 "[ ]"
31 . 1 17 LEU C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -86.00 -46.00 -57.13 -57.13 -57.13 . . 0 "[ ]"
32 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASN N -61.00 -21.00 -42.77 -42.77 -42.77 . . 0 "[ ]"
33 . 1 18 GLU C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -84.00 -44.00 -72.18 -72.18 -72.18 . . 0 "[ ]"
34 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 ALA N -60.00 -20.00 -20.40 -20.40 -20.40 . . 0 "[ ]"
35 . 1 19 ASN C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -85.00 -45.00 -72.06 -72.06 -72.06 . . 0 "[ ]"
36 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 HIS N -61.00 -19.00 -28.84 -28.84 -28.84 . . 0 "[ ]"
37 . 1 20 ALA C 1 21 HIS N 1 21 HIS CA 1 21 HIS C -87.00 -47.00 -79.80 -79.80 -79.80 . . 0 "[ ]"
38 . 1 21 HIS N 1 21 HIS CA 1 21 HIS C 1 22 PHE N -58.00 -18.00 -36.04 -36.04 -36.04 . . 0 "[ ]"
39 . 1 21 HIS C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -82.00 -42.00 -62.09 -62.09 -62.09 . . 0 "[ ]"
40 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 MET N -63.00 -23.00 -52.43 -52.43 -52.43 . . 0 "[ ]"
41 . 1 22 PHE C 1 23 MET N 1 23 MET CA 1 23 MET C -82.00 -42.00 -65.92 -65.92 -65.92 . . 0 "[ ]"
42 . 1 23 MET N 1 23 MET CA 1 23 MET C 1 24 GLU N -58.00 -18.00 -24.37 -24.37 -24.37 . . 0 "[ ]"
43 . 1 23 MET C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -82.00 -42.00 -66.84 -66.84 -66.84 . . 0 "[ ]"
44 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 LYS N -59.00 -19.00 -34.33 -34.33 -34.33 . . 0 "[ ]"
45 . 1 24 GLU C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -87.00 -47.00 -51.28 -51.28 -51.28 . . 0 "[ ]"
46 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 PHE N -56.00 -16.00 -46.62 -46.62 -46.62 . . 0 "[ ]"
47 . 1 25 LYS C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -83.00 -43.00 -60.17 -60.17 -60.17 . . 0 "[ ]"
48 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 TYR N -66.00 -26.00 -48.83 -48.83 -48.83 . . 0 "[ ]"
49 . 1 26 PHE C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -86.00 -46.00 -54.06 -54.06 -54.06 . . 0 "[ ]"
50 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 LEU N -63.00 -23.00 -44.78 -44.78 -44.78 . . 0 "[ ]"
51 . 1 27 TYR C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -82.00 -42.00 -71.91 -71.91 -71.91 . . 0 "[ ]"
52 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 GLN N -60.00 -20.00 -28.23 -28.23 -28.23 . . 0 "[ ]"
53 . 1 28 LEU C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -100.00 -60.00 -80.96 -80.96 -80.96 . . 0 "[ ]"
54 . 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 ASN N -53.00 -9.00 -46.46 -46.46 -46.46 . . 0 "[ ]"
55 . 1 29 GLN C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -139.00 -73.00 -72.59 -72.59 -72.59 0.41 1 0 "[ ]"
56 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 GLY N -29.00 11.00 -29.72 -29.72 -29.72 0.72 1 0 "[ ]"
57 . 1 31 GLY C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -118.00 -42.00 -79.12 -79.12 -79.12 . . 0 "[ ]"
58 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 PHE N 104.00 164.00 103.38 103.38 103.38 0.62 1 0 "[ ]"
59 . 1 37 SER C 1 38 THR N 1 38 THR CA 1 38 THR C -164.00 -54.00 -90.87 -90.87 -90.87 . . 0 "[ ]"
60 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 LYS N 110.00 172.00 144.54 144.54 144.54 . . 0 "[ ]"
61 . 1 38 THR C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -172.00 -84.00 -154.15 -154.15 -154.15 . . 0 "[ ]"
62 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 TRP N 117.00 163.00 109.20 109.20 109.20 7.80 1 1 [+]
63 . 1 39 LYS C 1 40 TRP N 1 40 TRP CA 1 40 TRP C -161.00 -33.00 -133.44 -133.44 -133.44 . . 0 "[ ]"
64 . 1 40 TRP N 1 40 TRP CA 1 40 TRP C 1 41 PRO N 89.00 153.00 85.86 85.86 85.86 3.14 1 0 "[ ]"
65 . 1 40 TRP C 1 41 PRO N 1 41 PRO CA 1 41 PRO C -87.00 -47.00 -81.28 -81.28 -81.28 . . 0 "[ ]"
66 . 1 41 PRO N 1 41 PRO CA 1 41 PRO C 1 42 SER N 133.00 175.00 132.25 132.25 132.25 0.75 1 0 "[ ]"
67 . 1 42 SER C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -121.00 -49.00 -80.02 -80.02 -80.02 . . 0 "[ ]"
68 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 PRO N 102.00 146.00 110.09 110.09 110.09 . . 0 "[ ]"
69 . 1 45 ILE C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -112.00 -72.00 -113.50 -113.50 -113.50 1.50 1 0 "[ ]"
70 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 GLU N -61.00 19.00 -26.02 -26.02 -26.02 . . 0 "[ ]"
71 . 1 46 LYS C 1 47 GLU N 1 47 GLU CA 1 47 GLU C 161.00 -63.00 -156.80 -156.80 -156.80 . . 0 "[ ]"
72 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 ALA N 137.00 177.00 138.16 138.16 138.16 . . 0 "[ ]"
73 . 1 47 GLU C 1 48 ALA N 1 48 ALA CA 1 48 ALA C 174.00 -74.00 -162.77 -162.77 -162.77 . . 0 "[ ]"
74 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 GLU N 119.00 -167.00 133.00 133.00 133.00 . . 0 "[ ]"
75 . 1 49 GLU C 1 50 GLY N 1 50 GLY CA 1 50 GLY C 66.00 106.00 85.33 85.33 85.33 . . 0 "[ ]"
76 . 1 50 GLY N 1 50 GLY CA 1 50 GLY C 1 51 PHE N -19.00 21.00 -8.16 -8.16 -8.16 . . 0 "[ ]"
77 . 1 50 GLY C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -149.00 -57.00 -106.19 -106.19 -106.19 . . 0 "[ ]"
78 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 CYS N 86.00 -176.00 166.19 166.19 166.19 . . 0 "[ ]"
79 . 1 51 PHE C 1 52 CYS N 1 52 CYS CA 1 52 CYS C -160.00 -120.00 -116.00 -116.00 -116.00 4.00 1 0 "[ ]"
80 . 1 52 CYS N 1 52 CYS CA 1 52 CYS C 1 53 ILE N 144.00 -176.00 139.85 139.85 139.85 4.15 1 0 "[ ]"
81 . 1 52 CYS C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -158.00 -92.00 -109.01 -109.01 -109.01 . . 0 "[ ]"
82 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 ARG N 115.00 159.00 113.99 113.99 113.99 1.01 1 0 "[ ]"
83 . 1 53 ILE C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -156.00 -116.00 -132.74 -132.74 -132.74 . . 0 "[ ]"
84 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 LEU N 134.00 180.00 155.28 155.28 155.28 . . 0 "[ ]"
85 . 1 54 ARG C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -126.00 -42.00 -98.79 -98.79 -98.79 . . 0 "[ ]"
86 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ASN N 107.00 175.00 105.93 105.93 105.93 1.07 1 0 "[ ]"
87 . 1 55 LEU C 1 56 ASN N 1 56 ASN CA 1 56 ASN C 172.00 -46.00 -152.54 -152.54 -152.54 . . 0 "[ ]"
88 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 GLY N 96.00 -144.00 149.04 149.04 149.04 . . 0 "[ ]"
89 . 1 61 GLY C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -162.00 -42.00 -68.81 -68.81 -68.81 . . 0 "[ ]"
90 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 LEU N 114.00 180.00 112.47 112.47 112.47 1.53 1 0 "[ ]"
91 . 1 65 SER C 1 66 LYS N 1 66 LYS CA 1 66 LYS C 174.00 -96.00 -95.67 -95.67 -95.67 0.33 1 0 "[ ]"
92 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 PHE N 136.00 -170.00 134.77 134.77 134.77 1.23 1 0 "[ ]"
93 . 1 66 LYS C 1 67 PHE N 1 67 PHE CA 1 67 PHE C 171.00 -111.00 -122.90 -122.90 -122.90 . . 0 "[ ]"
94 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 MET N 109.00 -167.00 108.69 108.69 108.69 0.31 1 0 "[ ]"
95 . 1 67 PHE C 1 68 MET N 1 68 MET CA 1 68 MET C -153.00 -69.00 -69.25 -69.25 -69.25 . . 0 "[ ]"
96 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 LEU N 108.00 148.00 107.35 107.35 107.35 0.65 1 0 "[ ]"
97 . 1 68 MET C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -143.00 -89.00 -128.71 -128.71 -128.71 . . 0 "[ ]"
98 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N 110.00 170.00 110.55 110.55 110.55 . . 0 "[ ]"
99 . 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -152.00 -112.00 -130.49 -130.49 -130.49 . . 0 "[ ]"
100 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 ALA N 115.00 161.00 128.11 128.11 128.11 . . 0 "[ ]"
101 . 1 70 LYS C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -144.00 -98.00 -116.56 -116.56 -116.56 . . 0 "[ ]"
102 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 VAL N 103.00 149.00 117.37 117.37 117.37 . . 0 "[ ]"
103 . 1 71 ALA C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -169.00 -83.00 -119.06 -119.06 -119.06 . . 0 "[ ]"
104 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ALA N 110.00 156.00 139.24 139.24 139.24 . . 0 "[ ]"
105 . 1 72 VAL C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -92.00 -50.00 -68.81 -68.81 -68.81 . . 0 "[ ]"
106 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ILE N 122.00 162.00 125.56 125.56 125.56 . . 0 "[ ]"
107 . 1 73 ALA C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -93.00 -29.00 -55.92 -55.92 -55.92 . . 0 "[ ]"
108 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ASP N -55.00 -15.00 -41.66 -41.66 -41.66 . . 0 "[ ]"
109 . 1 75 ASP C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -81.00 -41.00 -71.35 -71.35 -71.35 . . 0 "[ ]"
110 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 ASP N -53.00 -3.00 -10.93 -10.93 -10.93 . . 0 "[ ]"
111 . 1 76 LYS C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -88.00 -48.00 -90.19 -90.19 -90.19 2.19 1 0 "[ ]"
112 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 LYS N -51.00 -11.00 -54.15 -54.15 -54.15 3.15 1 0 "[ ]"
113 . 1 77 ASP C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -128.00 -56.00 -60.81 -60.81 -60.81 . . 0 "[ ]"
114 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 ASN N -60.00 14.00 -21.08 -21.08 -21.08 . . 0 "[ ]"
115 . 1 78 LYS C 1 79 ASN N 1 79 ASN CA 1 79 ASN C 172.00 -68.00 -145.24 -145.24 -145.24 . . 0 "[ ]"
116 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 PRO N 7.00 -179.00 110.32 110.32 110.32 . . 0 "[ ]"
117 . 1 80 PRO C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -163.00 -35.00 -114.16 -114.16 -114.16 . . 0 "[ ]"
118 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 ILE N 135.00 -179.00 175.83 175.83 175.83 . . 0 "[ ]"
119 . 1 81 PHE C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -150.00 -100.00 -138.06 -138.06 -138.06 . . 0 "[ ]"
120 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 ILE N 116.00 180.00 147.96 147.96 147.96 . . 0 "[ ]"
121 . 1 82 ILE C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -150.00 -104.00 -114.19 -114.19 -114.19 . . 0 "[ ]"
122 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 LYS N 103.00 171.00 109.21 109.21 109.21 . . 0 "[ ]"
123 . 1 83 ILE C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -156.00 -116.00 -114.91 -114.91 -114.91 1.09 1 0 "[ ]"
124 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 MET N 117.00 175.00 139.63 139.63 139.63 . . 0 "[ ]"
125 . 1 84 LYS C 1 85 MET N 1 85 MET CA 1 85 MET C -161.00 -113.00 -112.78 -112.78 -112.78 0.22 1 0 "[ ]"
126 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 ASN N 112.00 152.00 122.84 122.84 122.84 . . 0 "[ ]"
127 . 1 85 MET C 1 86 ASN N 1 86 ASN CA 1 86 ASN C 167.00 -41.00 -110.62 -110.62 -110.62 . . 0 "[ ]"
128 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 GLU N 150.00 -154.00 155.46 155.46 155.46 . . 0 "[ ]"
129 . 1 86 ASN C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -82.00 -42.00 -59.49 -59.49 -59.49 . . 0 "[ ]"
130 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 ASN N -46.00 16.00 -10.56 -10.56 -10.56 . . 0 "[ ]"
131 . 1 87 GLU C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -110.00 -70.00 -82.77 -82.77 -82.77 . . 0 "[ ]"
132 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 LEU N -10.00 30.00 13.65 13.65 13.65 . . 0 "[ ]"
133 . 1 89 LEU C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -110.00 -68.00 -109.11 -109.11 -109.11 . . 0 "[ ]"
134 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 THR N 114.00 164.00 142.42 142.42 142.42 . . 0 "[ ]"
135 . 1 90 VAL C 1 91 THR N 1 91 THR CA 1 91 THR C -120.00 -78.00 -104.23 -104.23 -104.23 . . 0 "[ ]"
136 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 PHE N 106.00 148.00 138.15 138.15 138.15 . . 0 "[ ]"
137 . 1 91 THR C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -156.00 -82.00 -112.42 -112.42 -112.42 . . 0 "[ ]"
138 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 ILE N 114.00 174.00 115.47 115.47 115.47 . . 0 "[ ]"
139 . 1 92 PHE C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -148.00 -102.00 -100.99 -100.99 -100.99 1.01 1 0 "[ ]"
140 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 CYS N 109.00 149.00 108.00 108.00 108.00 1.00 1 0 "[ ]"
141 . 1 93 ILE C 1 94 CYS N 1 94 CYS CA 1 94 CYS C -165.00 -103.00 -122.43 -122.43 -122.43 . . 0 "[ ]"
142 . 1 94 CYS N 1 94 CYS CA 1 94 CYS C 1 95 LYS N 121.00 -175.00 146.75 146.75 146.75 . . 0 "[ ]"
143 . 1 94 CYS C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -108.00 -68.00 -80.32 -80.32 -80.32 . . 0 "[ ]"
144 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 LYS N -38.00 2.00 -16.55 -16.55 -16.55 . . 0 "[ ]"
145 . 1 95 LYS C 1 96 LYS N 1 96 LYS CA 1 96 LYS C 167.00 -71.00 -72.17 -72.17 -72.17 . . 0 "[ ]"
146 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 SER N 126.00 172.00 175.72 175.72 175.72 3.72 1 0 "[ ]"
147 . 1 96 LYS C 1 97 SER N 1 97 SER CA 1 97 SER C -167.00 -51.00 -107.42 -107.42 -107.42 . . 0 "[ ]"
148 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 ALA N 111.00 169.00 139.19 139.19 139.19 . . 0 "[ ]"
149 . 1 97 SER C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -135.00 -51.00 -112.22 -112.22 -112.22 . . 0 "[ ]"
150 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 SER N -71.00 37.00 -1.45 -1.45 -1.45 . . 0 "[ ]"
151 . 1 99 SER C 1 100 SER N 1 100 SER CA 1 100 SER C -172.00 -80.00 -134.89 -134.89 -134.89 . . 0 "[ ]"
152 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 CYS N 115.00 155.00 159.18 159.18 159.18 4.18 1 0 "[ ]"
153 . 1 100 SER C 1 101 CYS N 1 101 CYS CA 1 101 CYS C -163.00 -105.00 -99.76 -99.76 -99.76 5.24 1 1 [+]
154 . 1 101 CYS N 1 101 CYS CA 1 101 CYS C 1 102 SER N 117.00 -177.00 112.23 112.23 112.23 4.77 1 0 "[ ]"
155 . 1 102 SER C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -123.00 -71.00 -70.52 -70.52 -70.52 0.48 1 0 "[ ]"
156 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 GLY N -45.00 45.00 -26.20 -26.20 -26.20 . . 0 "[ ]"
157 . 1 105 LEU C 1 106 ASP N 1 106 ASP CA 1 106 ASP C -125.00 -71.00 -128.04 -128.04 -128.04 3.04 1 0 "[ ]"
158 . 1 106 ASP N 1 106 ASP CA 1 106 ASP C 1 107 TYR N -48.00 22.00 -46.38 -46.38 -46.38 . . 0 "[ ]"
159 . 1 106 ASP C 1 107 TYR N 1 107 TYR CA 1 107 TYR C -158.00 -90.00 -136.07 -136.07 -136.07 . . 0 "[ ]"
160 . 1 107 TYR N 1 107 TYR CA 1 107 TYR C 1 108 PHE N 115.00 177.00 160.55 160.55 160.55 . . 0 "[ ]"
161 . 1 107 TYR C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -168.00 -90.00 -123.13 -123.13 -123.13 . . 0 "[ ]"
162 . 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 LYS N 128.00 180.00 166.13 166.13 166.13 . . 0 "[ ]"
163 . 1 108 PHE C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -175.00 -39.00 -149.04 -149.04 -149.04 . . 0 "[ ]"
164 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 GLY N 120.00 172.00 160.76 160.76 160.76 . . 0 "[ ]"
165 . 1 112 ASP C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -174.00 -66.00 -174.13 -174.13 -174.13 0.13 1 0 "[ ]"
166 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 ASP N 119.00 -175.00 -172.62 -172.62 -172.62 2.38 1 0 "[ ]"
167 . 1 113 LYS C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -144.00 -34.00 -32.97 -32.97 -32.97 1.03 1 0 "[ ]"
168 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 CYS N 90.00 -174.00 152.53 152.53 152.53 . . 0 "[ ]"
169 . 1 114 ASP C 1 115 CYS N 1 115 CYS CA 1 115 CYS C -171.00 -97.00 -131.94 -131.94 -131.94 . . 0 "[ ]"
170 . 1 115 CYS N 1 115 CYS CA 1 115 CYS C 1 116 LYS N 137.00 177.00 165.31 165.31 165.31 . . 0 "[ ]"
171 . 1 115 CYS C 1 116 LYS N 1 116 LYS CA 1 116 LYS C -165.00 -105.00 -153.72 -153.72 -153.72 . . 0 "[ ]"
172 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 LEU N 114.00 176.00 147.47 147.47 147.47 . . 0 "[ ]"
173 . 1 116 LYS C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -143.00 -39.00 -99.21 -99.21 -99.21 . . 0 "[ ]"
174 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 PHE N 96.00 146.00 121.17 121.17 121.17 . . 0 "[ ]"
175 . 1 117 LEU C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -146.00 -54.00 -116.94 -116.94 -116.94 . . 0 "[ ]"
176 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 LYS N 95.00 143.00 94.48 94.48 94.48 0.52 1 0 "[ ]"
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