NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452400 |
2uz5   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2uz5
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 230
_TA_constraint_stats_list.Viol_count 1044
_TA_constraint_stats_list.Viol_total 15590.80
_TA_constraint_stats_list.Viol_max 10.94
_TA_constraint_stats_list.Viol_rms 1.44
_TA_constraint_stats_list.Viol_average_all_restraints 0.68
_TA_constraint_stats_list.Viol_average_violations_only 1.49
_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 1 PHE C 1 2 ASN N 1 2 ASN CA 1 2 ASN C -70.00 -50.00 -66.38 -66.37 -67.45 0.11 1 0 "[ . 1]"
2 . 1 2 ASN N 1 2 ASN CA 1 2 ASN C 1 3 LYS N -39.00 -19.00 -21.28 -19.06 -20.54 0.47 6 0 "[ . 1]"
3 . 1 2 ASN C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -91.00 -47.00 -58.37 -61.85 -54.76 . . 0 "[ . 1]"
4 . 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 LYS N -40.00 -20.00 -40.04 -41.13 -37.93 1.13 2 0 "[ . 1]"
5 . 1 3 LYS C 1 4 LYS N 1 4 LYS CA 1 4 LYS C -79.00 -59.00 -79.72 -80.35 -78.78 1.35 6 0 "[ . 1]"
6 . 1 4 LYS N 1 4 LYS CA 1 4 LYS C 1 5 ALA N -55.00 -35.00 -35.65 -35.06 -35.69 0.59 8 0 "[ . 1]"
7 . 1 4 LYS C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -72.00 -52.00 -57.76 -57.65 -57.79 . . 0 "[ . 1]"
8 . 1 5 ALA N 1 5 ALA CA 1 5 ALA C 1 6 ASP N -52.00 -32.00 -50.68 -51.68 -51.94 0.52 10 0 "[ . 1]"
9 . 1 5 ALA C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -74.00 -54.00 -67.94 -75.14 -63.96 1.14 6 0 "[ . 1]"
10 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 GLU N -51.00 -31.00 -34.69 -36.52 -31.50 . . 0 "[ . 1]"
11 . 1 6 ASP C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -76.00 -56.00 -55.94 -55.78 -55.79 0.42 9 0 "[ . 1]"
12 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 ASN N -54.00 -34.00 -34.60 -32.47 -32.58 1.53 2 0 "[ . 1]"
13 . 1 7 GLU C 1 8 ASN N 1 8 ASN CA 1 8 ASN C -78.00 -58.00 -74.55 -75.66 -75.70 0.97 6 0 "[ . 1]"
14 . 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 LYS N -38.00 -18.00 -36.69 -39.44 -29.20 1.44 7 0 "[ . 1]"
15 . 1 8 ASN C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -77.00 -57.00 -58.07 -63.90 -56.16 0.84 6 0 "[ . 1]"
16 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 VAL N -50.00 -30.00 -37.88 -44.12 -31.45 . . 0 "[ . 1]"
17 . 1 9 LYS C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -78.00 -58.00 -76.78 -74.15 -76.35 0.33 9 0 "[ . 1]"
18 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 LYS N -52.00 -32.00 -50.14 -53.48 -44.97 1.48 10 0 "[ . 1]"
19 . 1 10 VAL C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -78.00 -48.00 -63.65 -68.81 -58.59 . . 0 "[ . 1]"
20 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 GLY N -57.00 -27.00 -29.24 -29.91 -33.35 1.29 8 0 "[ . 1]"
21 . 1 11 LYS C 1 12 GLY N 1 12 GLY CA 1 12 GLY C -76.00 -56.00 -75.93 -76.69 -76.86 0.95 10 0 "[ . 1]"
22 . 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 GLU N -53.00 -33.00 -51.63 -50.33 -52.88 0.74 4 0 "[ . 1]"
23 . 1 12 GLY C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -77.00 -57.00 -62.29 -68.07 -57.66 . . 0 "[ . 1]"
24 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 ALA N -45.00 -25.00 -28.22 -34.40 -24.98 0.02 4 0 "[ . 1]"
25 . 1 13 GLU C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -78.00 -58.00 -77.03 -77.96 -78.13 0.30 9 0 "[ . 1]"
26 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 PHE N -44.00 -24.00 -37.71 -42.46 -30.63 . . 0 "[ . 1]"
27 . 1 14 ALA C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -74.00 -54.00 -60.50 -56.02 -57.46 . . 0 "[ . 1]"
28 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 LEU N -56.00 -36.00 -52.61 -56.28 -48.47 0.28 10 0 "[ . 1]"
29 . 1 15 PHE C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -74.00 -54.00 -65.51 -65.59 -66.59 . . 0 "[ . 1]"
30 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 THR N -53.00 -33.00 -33.62 -35.88 -31.79 1.21 7 0 "[ . 1]"
31 . 1 16 LEU C 1 17 THR N 1 17 THR CA 1 17 THR C -78.00 -58.00 -57.37 -57.57 -57.65 1.44 7 0 "[ . 1]"
32 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 GLU N -50.00 -30.00 -47.97 -48.80 -49.65 . . 0 "[ . 1]"
33 . 1 17 THR C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -73.00 -53.00 -73.56 -73.22 -73.61 1.35 9 0 "[ . 1]"
34 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASN N -53.00 -33.00 -32.06 -31.85 -31.96 1.21 4 0 "[ . 1]"
35 . 1 18 GLU C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -73.00 -53.00 -57.34 -60.15 -53.69 . . 0 "[ . 1]"
36 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 LYS N -44.00 -24.00 -28.23 -30.43 -32.45 . . 0 "[ . 1]"
37 . 1 19 ASN C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -61.00 -41.00 -46.96 -44.02 -46.02 . . 0 "[ . 1]"
38 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ASN N -42.00 -22.00 -19.76 -20.35 -18.58 3.42 5 0 "[ . 1]"
39 . 1 20 LYS C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -90.00 -70.00 -68.72 -70.60 -67.67 2.33 5 0 "[ . 1]"
40 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 LYS N -58.00 -28.00 -33.39 -37.12 -30.26 . . 0 "[ . 1]"
41 . 1 21 ASN C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -60.00 -20.00 -50.17 -48.35 -50.53 . . 0 "[ . 1]"
42 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 PRO N 120.00 160.00 119.87 119.46 119.21 1.75 4 0 "[ . 1]"
43 . 1 22 LYS C 1 23 PRO N 1 23 PRO CA 1 23 PRO C -56.00 -36.00 -57.56 -57.06 -57.46 2.28 3 0 "[ . 1]"
44 . 1 23 PRO N 1 23 PRO CA 1 23 PRO C 1 24 GLY N 127.00 147.00 141.12 133.20 147.06 0.06 7 0 "[ . 1]"
45 . 1 23 PRO C 1 24 GLY N 1 24 GLY CA 1 24 GLY C 67.00 87.00 87.74 88.31 88.05 1.31 2 0 "[ . 1]"
46 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 VAL N -17.00 3.00 2.39 3.24 3.16 0.84 3 0 "[ . 1]"
47 . 1 25 VAL C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -130.00 -70.00 -127.83 -130.76 -118.93 0.76 7 0 "[ . 1]"
48 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 VAL N 122.00 152.00 131.68 130.94 128.56 . . 0 "[ . 1]"
49 . 1 26 VAL C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -140.00 -76.00 -85.85 -92.37 -80.16 . . 0 "[ . 1]"
50 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 LEU N 113.00 143.00 139.73 132.85 143.08 0.08 1 0 "[ . 1]"
51 . 1 27 VAL C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -115.00 -95.00 -99.49 -101.73 -103.86 0.29 3 0 "[ . 1]"
52 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 PRO N 150.00 180.00 166.28 162.94 168.56 . . 0 "[ . 1]"
53 . 1 28 LEU C 1 29 PRO N 1 29 PRO CA 1 29 PRO C -62.00 -42.00 -52.23 -53.79 -50.48 . . 0 "[ . 1]"
54 . 1 29 PRO N 1 29 PRO CA 1 29 PRO C 1 30 SER N -51.00 -31.00 -31.94 -31.95 -33.45 0.43 2 0 "[ . 1]"
55 . 1 29 PRO C 1 30 SER N 1 30 SER CA 1 30 SER C -90.00 -70.00 -85.24 -89.25 -80.76 . . 0 "[ . 1]"
56 . 1 30 SER N 1 30 SER CA 1 30 SER C 1 31 GLY N -16.00 4.00 -11.39 -13.28 -9.41 . . 0 "[ . 1]"
57 . 1 30 SER C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 81.00 101.00 103.37 104.04 103.58 3.84 3 0 "[ . 1]"
58 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 LEU N -17.00 13.00 14.65 14.42 14.18 2.79 3 0 "[ . 1]"
59 . 1 31 GLY C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -83.00 -63.00 -83.78 -85.89 -80.86 2.89 6 0 "[ . 1]"
60 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 GLN N 135.00 155.00 135.94 136.98 134.86 1.46 9 0 "[ . 1]"
61 . 1 32 LEU C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -125.00 -105.00 -119.26 -116.01 -116.60 1.07 9 0 "[ . 1]"
62 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 TYR N 139.00 159.00 141.29 144.18 143.65 0.73 9 0 "[ . 1]"
63 . 1 33 GLN C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -160.00 -130.00 -157.90 -160.84 -151.17 0.84 9 0 "[ . 1]"
64 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 LYS N 144.00 174.00 175.57 174.81 176.39 2.39 5 0 "[ . 1]"
65 . 1 34 TYR C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -145.00 -125.00 -121.45 -122.48 -120.54 4.46 1 0 "[ . 1]"
66 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 VAL N 118.00 138.00 117.32 116.77 118.94 1.23 2 0 "[ . 1]"
67 . 1 35 LYS C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -93.00 -73.00 -75.36 -77.87 -78.10 1.07 8 0 "[ . 1]"
68 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 ILE N 105.00 125.00 126.05 125.97 125.61 1.77 6 0 "[ . 1]"
69 . 1 38 ASN C 1 39 SER N 1 39 SER CA 1 39 SER C -105.00 -75.00 -105.72 -106.96 -103.18 1.96 2 0 "[ . 1]"
70 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 GLY N 115.00 145.00 145.84 145.88 145.62 1.38 10 0 "[ . 1]"
71 . 1 41 ASN C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -89.00 -49.00 -90.92 -90.27 -91.09 3.11 1 0 "[ . 1]"
72 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 VAL N 160.00 -160.00 171.37 160.97 -178.83 . . 0 "[ . 1]"
73 . 1 42 GLY C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -90.00 -70.00 -89.84 -90.72 -91.81 1.81 1 0 "[ . 1]"
74 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 LYS N 140.00 170.00 176.65 175.34 178.38 8.38 9 10 [*-******+*]
75 . 1 43 VAL C 1 44 LYS N 1 44 LYS CA 1 44 LYS C 125.00 155.00 165.15 163.71 165.94 10.94 9 10 [***-****+*]
76 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 PRO N 160.00 -160.00 156.56 155.24 157.66 4.76 3 0 "[ . 1]"
77 . 1 44 LYS C 1 45 PRO N 1 45 PRO CA 1 45 PRO C -85.00 -55.00 -82.31 -84.43 -84.65 0.72 3 0 "[ . 1]"
78 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 GLY N 135.00 165.00 173.34 174.25 173.79 9.25 2 10 [*+***-****]
79 . 1 45 PRO C 1 46 GLY N 1 46 GLY CA 1 46 GLY C -105.00 -75.00 -67.87 -67.54 -67.76 7.53 2 10 [*+****-***]
80 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 LYS N 149.00 179.00 -172.42 -173.12 -171.66 9.34 9 10 [*****-**+*]
81 . 1 46 GLY C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -76.00 -46.00 -41.58 -41.26 -41.33 4.78 9 0 "[ . 1]"
82 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 SER N -44.00 -14.00 -13.77 -13.22 -13.46 0.82 2 0 "[ . 1]"
83 . 1 47 LYS C 1 48 SER N 1 48 SER CA 1 48 SER C -107.00 -87.00 -86.18 -85.89 -86.12 1.25 2 0 "[ . 1]"
84 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 ASP N -14.00 6.00 7.42 6.92 7.83 1.83 9 0 "[ . 1]"
85 . 1 48 SER C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -89.00 -59.00 -74.75 -77.84 -69.33 . . 0 "[ . 1]"
86 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 THR N 140.00 170.00 155.50 150.32 149.17 . . 0 "[ . 1]"
87 . 1 49 ASP C 1 50 THR N 1 50 THR CA 1 50 THR C -125.00 -95.00 -124.71 -126.47 -126.67 1.86 9 0 "[ . 1]"
88 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 VAL N 120.00 150.00 121.72 119.25 133.85 0.75 2 0 "[ . 1]"
89 . 1 50 THR C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -146.00 -116.00 -127.73 -126.78 -128.67 . . 0 "[ . 1]"
90 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 THR N 135.00 175.00 150.89 158.40 156.28 . . 0 "[ . 1]"
91 . 1 51 VAL C 1 52 THR N 1 52 THR CA 1 52 THR C -132.00 -112.00 -113.12 -115.35 -111.12 0.88 9 0 "[ . 1]"
92 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 VAL N 123.00 153.00 120.67 119.79 121.24 3.21 10 0 "[ . 1]"
93 . 1 52 THR C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -147.00 -117.00 -142.58 -142.13 -142.57 . . 0 "[ . 1]"
94 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 GLU N 140.00 180.00 178.29 170.11 -179.17 0.83 7 0 "[ . 1]"
95 . 1 53 VAL C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -141.00 -121.00 -128.39 -127.09 -128.78 . . 0 "[ . 1]"
96 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 TYR N 133.00 163.00 132.46 131.86 133.06 1.14 6 0 "[ . 1]"
97 . 1 54 GLU C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -174.00 -144.00 -145.18 -147.18 -143.63 0.37 9 0 "[ . 1]"
98 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 THR N 143.00 173.00 161.26 159.28 158.38 . . 0 "[ . 1]"
99 . 1 55 TYR C 1 56 THR N 1 56 THR CA 1 56 THR C -152.00 -122.00 -126.07 -131.19 -121.84 0.16 10 0 "[ . 1]"
100 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 GLY N 114.00 144.00 113.04 112.09 113.99 1.91 4 0 "[ . 1]"
101 . 1 56 THR C 1 57 GLY N 1 57 GLY CA 1 57 GLY C -141.00 -111.00 -110.13 -111.41 -108.93 2.07 1 0 "[ . 1]"
102 . 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 ARG N 107.00 147.00 145.22 141.38 147.53 0.53 7 0 "[ . 1]"
103 . 1 57 GLY C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -147.00 -107.00 -147.33 -148.43 -145.01 1.43 10 0 "[ . 1]"
104 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 LEU N 150.00 170.00 146.91 148.05 147.45 4.39 10 0 "[ . 1]"
105 . 1 58 ARG C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -93.00 -73.00 -77.95 -80.14 -84.95 . . 0 "[ . 1]"
106 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 ILE N 145.00 165.00 158.44 160.36 158.03 . . 0 "[ . 1]"
107 . 1 59 LEU C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -59.00 -39.00 -57.87 -59.40 -55.64 0.40 4 0 "[ . 1]"
108 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 ASP N -41.00 -11.00 -11.74 -14.35 -10.68 0.32 6 0 "[ . 1]"
109 . 1 61 ASP C 1 62 GLY N 1 62 GLY CA 1 62 GLY C 70.00 90.00 90.76 90.02 91.15 1.15 8 0 "[ . 1]"
110 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 THR N -33.00 -3.00 -0.48 -0.94 0.18 3.18 10 0 "[ . 1]"
111 . 1 63 THR C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -81.00 -61.00 -62.79 -66.86 -60.61 0.39 10 0 "[ . 1]"
112 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 PHE N 114.00 138.00 133.36 130.70 134.90 . . 0 "[ . 1]"
113 . 1 64 VAL C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -120.00 -100.00 -97.62 -97.79 -97.93 2.69 9 0 "[ . 1]"
114 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 ASP N -27.00 -7.00 -25.07 -22.79 -25.61 1.07 10 0 "[ . 1]"
115 . 1 65 PHE C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -173.00 -143.00 -176.62 -175.91 -176.33 4.64 10 0 "[ . 1]"
116 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 SER N 130.00 160.00 130.92 129.50 134.46 0.50 4 0 "[ . 1]"
117 . 1 68 THR C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -75.00 -55.00 -73.75 -70.87 -74.89 0.73 7 0 "[ . 1]"
118 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 LYS N -61.00 -31.00 -43.26 -39.45 -45.58 0.02 4 0 "[ . 1]"
119 . 1 69 GLU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -71.00 -41.00 -65.31 -71.26 -61.04 0.26 4 0 "[ . 1]"
120 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 THR N -67.00 -37.00 -40.48 -51.49 -36.46 0.54 7 0 "[ . 1]"
121 . 1 70 LYS C 1 71 THR N 1 71 THR CA 1 71 THR C -82.00 -52.00 -58.96 -58.63 -59.07 . . 0 "[ . 1]"
122 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 GLY N -35.00 -5.00 -18.39 -20.03 -21.40 . . 0 "[ . 1]"
123 . 1 71 THR C 1 72 GLY N 1 72 GLY CA 1 72 GLY C 55.00 95.00 85.89 94.09 92.55 0.21 10 0 "[ . 1]"
124 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 LYS N -25.00 15.00 5.60 7.50 4.88 . . 0 "[ . 1]"
125 . 1 72 GLY C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -125.65 -85.65 -124.66 -115.53 -122.97 1.56 8 0 "[ . 1]"
126 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 PRO N 117.95 157.99 120.47 116.68 140.58 1.27 2 0 "[ . 1]"
127 . 1 73 LYS C 1 74 PRO N 1 74 PRO CA 1 74 PRO C -70.00 -40.00 -56.34 -71.25 -52.65 1.25 4 0 "[ . 1]"
128 . 1 74 PRO N 1 74 PRO CA 1 74 PRO C 1 75 ALA N 145.00 175.00 155.75 144.97 163.38 0.03 2 0 "[ . 1]"
129 . 1 74 PRO C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -125.00 -95.00 -94.83 -94.60 -94.72 1.37 4 0 "[ . 1]"
130 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 THR N 125.00 175.00 124.77 123.99 126.65 1.01 5 0 "[ . 1]"
131 . 1 75 ALA C 1 76 THR N 1 76 THR CA 1 76 THR C -135.00 -105.00 -125.51 -126.34 -127.44 . . 0 "[ . 1]"
132 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 PHE N 110.00 150.00 116.25 118.09 116.22 . . 0 "[ . 1]"
133 . 1 76 THR C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -158.00 -128.00 -157.66 -158.04 -158.36 1.03 10 0 "[ . 1]"
134 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 GLN N 141.00 171.00 160.57 167.12 163.78 . . 0 "[ . 1]"
135 . 1 77 PHE C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -102.00 -82.00 -85.22 -89.70 -95.28 0.69 4 0 "[ . 1]"
136 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 VAL N 126.00 146.00 143.61 130.21 148.84 2.84 10 0 "[ . 1]"
137 . 1 79 VAL C 1 80 SER N 1 80 SER CA 1 80 SER C -95.00 -75.00 -92.24 -96.54 -85.44 1.54 4 0 "[ . 1]"
138 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 GLN N -23.00 -3.00 -6.49 -2.08 -2.35 0.92 2 0 "[ . 1]"
139 . 1 80 SER C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -98.00 -78.00 -90.44 -93.88 -95.33 . . 0 "[ . 1]"
140 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 VAL N -15.00 5.00 5.73 5.88 5.85 1.26 8 0 "[ . 1]"
141 . 1 82 VAL C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -87.00 -57.00 -56.28 -56.45 -56.60 1.01 6 0 "[ . 1]"
142 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 PRO N 140.00 160.00 155.78 158.17 156.43 0.45 8 0 "[ . 1]"
143 . 1 83 ILE C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -54.00 -34.00 -47.03 -51.38 -42.25 . . 0 "[ . 1]"
144 . 1 84 PRO N 1 84 PRO CA 1 84 PRO C 1 85 GLY N -60.00 -40.00 -55.11 -54.12 -59.56 0.75 8 0 "[ . 1]"
145 . 1 84 PRO C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -60.00 -40.00 -53.08 -61.19 -44.39 1.19 9 0 "[ . 1]"
146 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 TRP N -48.00 -28.00 -49.07 -49.69 -48.30 1.69 6 0 "[ . 1]"
147 . 1 85 GLY C 1 86 TRP N 1 86 TRP CA 1 86 TRP C -75.00 -55.00 -61.20 -64.06 -54.81 0.19 8 0 "[ . 1]"
148 . 1 86 TRP N 1 86 TRP CA 1 86 TRP C 1 87 THR N -53.00 -33.00 -45.80 -53.39 -36.63 0.39 2 0 "[ . 1]"
149 . 1 86 TRP C 1 87 THR N 1 87 THR CA 1 87 THR C -73.00 -53.00 -56.97 -53.93 -54.92 0.10 2 0 "[ . 1]"
150 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 GLU N -54.00 -34.00 -35.65 -33.87 -34.23 0.62 2 0 "[ . 1]"
151 . 1 87 THR C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -70.00 -50.00 -69.54 -68.99 -70.27 0.79 8 0 "[ . 1]"
152 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ALA N -51.00 -31.00 -48.03 -50.71 -51.09 0.67 3 0 "[ . 1]"
153 . 1 88 GLU C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -75.00 -55.00 -68.41 -65.07 -65.78 1.09 10 0 "[ . 1]"
154 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 LEU N -52.00 -32.00 -49.83 -49.45 -51.99 0.46 10 0 "[ . 1]"
155 . 1 89 ALA C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -57.00 -37.00 -56.66 -56.59 -56.97 0.60 3 0 "[ . 1]"
156 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 GLN N -46.00 -26.00 -31.59 -41.33 -25.72 0.28 3 0 "[ . 1]"
157 . 1 90 LEU C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -81.39 -51.39 -67.63 -66.43 -67.23 0.19 3 0 "[ . 1]"
158 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 LEU N -23.73 -3.73 -17.23 -24.55 -3.76 0.82 6 0 "[ . 1]"
159 . 1 91 GLN C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -111.00 -91.00 -98.82 -96.41 -100.75 0.75 3 0 "[ . 1]"
160 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 MET N -38.00 -8.00 -12.79 -7.88 -8.04 0.49 6 0 "[ . 1]"
161 . 1 92 LEU C 1 93 MET N 1 93 MET CA 1 93 MET C -94.00 -64.00 -83.65 -92.21 -71.41 . . 0 "[ . 1]"
162 . 1 93 MET N 1 93 MET CA 1 93 MET C 1 94 PRO N 109.00 139.00 110.59 107.37 121.01 1.63 4 0 "[ . 1]"
163 . 1 93 MET C 1 94 PRO N 1 94 PRO CA 1 94 PRO C -85.00 -55.00 -76.70 -80.40 -84.93 . . 0 "[ . 1]"
164 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 ALA N 127.00 147.00 145.85 142.37 147.51 0.51 3 0 "[ . 1]"
165 . 1 94 PRO C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -66.00 -46.00 -47.08 -50.41 -45.58 0.42 6 0 "[ . 1]"
166 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 GLY N 128.00 148.00 127.27 124.96 131.02 3.04 9 0 "[ . 1]"
167 . 1 95 ALA C 1 96 GLY N 1 96 GLY CA 1 96 GLY C 85.00 105.00 97.01 92.25 88.99 . . 0 "[ . 1]"
168 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 SER N -18.00 2.00 -5.14 -9.49 -11.94 0.57 5 0 "[ . 1]"
169 . 1 98 THR C 1 99 TRP N 1 99 TRP CA 1 99 TRP C -132.00 -112.00 -122.17 -116.60 -119.57 0.36 10 0 "[ . 1]"
170 . 1 99 TRP N 1 99 TRP CA 1 99 TRP C 1 100 GLU N 150.00 170.00 149.79 149.06 152.11 0.94 7 0 "[ . 1]"
171 . 1 99 TRP C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -130.00 -100.00 -119.58 -120.99 -122.25 . . 0 "[ . 1]"
172 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ILE N 110.00 140.00 107.87 106.85 108.54 3.15 10 0 "[ . 1]"
173 . 1 100 GLU C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -134.00 -104.00 -109.26 -114.58 -106.40 . . 0 "[ . 1]"
174 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 TYR N 140.00 160.00 141.53 139.28 146.27 0.72 10 0 "[ . 1]"
175 . 1 101 ILE C 1 102 TYR N 1 102 TYR CA 1 102 TYR C -134.00 -114.00 -121.92 -120.58 -122.72 0.05 8 0 "[ . 1]"
176 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C 1 103 VAL N 105.00 135.00 103.81 103.33 104.33 1.67 10 0 "[ . 1]"
177 . 1 102 TYR C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -113.00 -93.00 -102.86 -97.84 -102.53 . . 0 "[ . 1]"
178 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 PRO N 93.00 113.00 101.43 96.89 110.79 . . 0 "[ . 1]"
179 . 1 103 VAL C 1 104 PRO N 1 104 PRO CA 1 104 PRO C -72.00 -52.00 -57.85 -59.84 -61.96 . . 0 "[ . 1]"
180 . 1 104 PRO N 1 104 PRO CA 1 104 PRO C 1 105 SER N 129.00 149.00 150.87 149.06 152.19 3.19 1 0 "[ . 1]"
181 . 1 104 PRO C 1 105 SER N 1 105 SER CA 1 105 SER C -69.00 -49.00 -48.05 -49.11 -47.12 1.88 1 0 "[ . 1]"
182 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 GLY N -44.00 -24.00 -37.42 -43.36 -27.80 . . 0 "[ . 1]"
183 . 1 105 SER C 1 106 GLY N 1 106 GLY CA 1 106 GLY C -78.00 -58.00 -57.37 -57.32 -57.40 1.76 8 0 "[ . 1]"
184 . 1 106 GLY N 1 106 GLY CA 1 106 GLY C 1 107 LEU N -31.00 -11.00 -10.28 -8.85 -9.14 2.58 8 0 "[ . 1]"
185 . 1 106 GLY C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -113.00 -83.00 -104.16 -91.64 -103.60 2.19 6 0 "[ . 1]"
186 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 ALA N -29.00 1.00 -12.43 -31.75 1.98 2.75 8 0 "[ . 1]"
187 . 1 107 LEU C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -130.00 -110.00 -116.62 -130.05 -109.10 0.90 5 0 "[ . 1]"
188 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 TYR N -125.00 -105.00 -110.59 -125.53 -104.10 0.90 4 0 "[ . 1]"
189 . 1 108 ALA C 1 109 TYR N 1 109 TYR CA 1 109 TYR C -130.00 -90.00 -94.81 -90.22 -91.23 0.92 10 0 "[ . 1]"
190 . 1 109 TYR N 1 109 TYR CA 1 109 TYR C 1 110 GLY N -17.00 3.00 -6.69 -2.25 -13.93 1.74 8 0 "[ . 1]"
191 . 1 110 GLY C 1 111 PRO N 1 111 PRO CA 1 111 PRO C -79.00 -59.00 -58.17 -56.62 -57.99 3.19 8 0 "[ . 1]"
192 . 1 111 PRO N 1 111 PRO CA 1 111 PRO C 1 112 ARG N -30.00 -10.00 -9.21 -16.65 -5.48 4.52 9 0 "[ . 1]"
193 . 1 111 PRO C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -120.00 -80.00 -79.00 -95.81 -74.87 5.13 3 1 "[ + . 1]"
194 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 SER N 140.00 170.00 159.73 139.27 171.70 1.70 6 0 "[ . 1]"
195 . 1 113 SER C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -110.00 -90.00 -105.28 -114.14 -91.91 4.14 9 0 "[ . 1]"
196 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 GLY N 20.00 60.00 35.11 55.21 20.60 2.72 9 0 "[ . 1]"
197 . 1 115 GLY C 1 116 GLY N 1 116 GLY CA 1 116 GLY C -80.00 -40.00 -71.77 -80.77 -66.22 0.77 9 0 "[ . 1]"
198 . 1 116 GLY N 1 116 GLY CA 1 116 GLY C 1 117 PRO N -150.00 -110.00 -121.96 -145.13 -110.00 . . 0 "[ . 1]"
199 . 1 116 GLY C 1 117 PRO N 1 117 PRO CA 1 117 PRO C -75.00 -55.00 -60.03 -58.86 -59.70 0.24 10 0 "[ . 1]"
200 . 1 117 PRO N 1 117 PRO CA 1 117 PRO C 1 118 ILE N -34.00 -14.00 -34.45 -36.66 -23.93 2.66 7 0 "[ . 1]"
201 . 1 117 PRO C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -90.00 -70.00 -91.32 -92.53 -90.09 2.53 10 0 "[ . 1]"
202 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 GLY N 115.00 135.00 128.14 120.06 115.21 0.66 8 0 "[ . 1]"
203 . 1 119 GLY C 1 120 PRO N 1 120 PRO CA 1 120 PRO C -81.00 -41.00 -60.00 -62.44 -63.64 . . 0 "[ . 1]"
204 . 1 120 PRO N 1 120 PRO CA 1 120 PRO C 1 121 ASN N 132.00 152.00 131.12 130.03 132.75 1.97 8 0 "[ . 1]"
205 . 1 120 PRO C 1 121 ASN N 1 121 ASN CA 1 121 ASN C 20.00 60.00 46.09 41.49 50.14 . . 0 "[ . 1]"
206 . 1 121 ASN N 1 121 ASN CA 1 121 ASN C 1 122 GLU N 39.00 59.00 35.25 34.89 34.57 4.82 1 0 "[ . 1]"
207 . 1 121 ASN C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -113.00 -73.00 -115.66 -115.23 -115.60 3.89 8 0 "[ . 1]"
208 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 THR N 115.00 145.00 134.53 132.55 129.17 0.86 8 0 "[ . 1]"
209 . 1 122 GLU C 1 123 THR N 1 123 THR CA 1 123 THR C -95.00 -75.00 -94.26 -97.00 -89.17 2.00 10 0 "[ . 1]"
210 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 LEU N 130.00 150.00 129.72 127.53 127.27 2.73 1 0 "[ . 1]"
211 . 1 123 THR C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -128.00 -108.00 -116.90 -121.50 -113.35 . . 0 "[ . 1]"
212 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 ILE N 135.00 165.00 155.66 150.48 159.90 . . 0 "[ . 1]"
213 . 1 124 LEU C 1 125 ILE N 1 125 ILE CA 1 125 ILE C -136.00 -116.00 -114.17 -114.30 -114.60 2.52 6 0 "[ . 1]"
214 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 PHE N 128.00 148.00 140.40 142.87 141.22 0.17 8 0 "[ . 1]"
215 . 1 125 ILE C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -140.00 -120.00 -133.12 -139.96 -125.39 . . 0 "[ . 1]"
216 . 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 LYS N 133.00 153.00 132.07 131.97 131.82 1.30 10 0 "[ . 1]"
217 . 1 126 PHE C 1 127 LYS N 1 127 LYS CA 1 127 LYS C -122.00 -102.00 -110.03 -109.12 -109.71 . . 0 "[ . 1]"
218 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 ILE N 105.00 135.00 103.40 102.38 104.04 2.62 10 0 "[ . 1]"
219 . 1 127 LYS C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -133.00 -103.00 -103.34 -102.83 -103.73 0.88 8 0 "[ . 1]"
220 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 HIS N 119.00 139.00 123.15 122.38 119.03 0.35 5 0 "[ . 1]"
221 . 1 128 ILE C 1 129 HIS N 1 129 HIS CA 1 129 HIS C -118.00 -88.00 -116.46 -118.70 -109.18 0.70 4 0 "[ . 1]"
222 . 1 129 HIS N 1 129 HIS CA 1 129 HIS C 1 130 LEU N 101.00 141.00 99.64 99.97 99.75 2.66 1 0 "[ . 1]"
223 . 1 129 HIS C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -100.00 -80.00 -79.30 -80.25 -82.74 2.06 8 0 "[ . 1]"
224 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 ILE N 103.00 123.00 121.00 113.61 124.84 1.84 4 0 "[ . 1]"
225 . 1 130 LEU C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -94.00 -74.00 -90.93 -94.90 -81.98 0.90 8 0 "[ . 1]"
226 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 SER N -56.00 -36.00 -55.06 -57.45 -50.29 1.45 2 0 "[ . 1]"
227 . 1 131 ILE C 1 132 SER N 1 132 SER CA 1 132 SER C -163.00 -143.00 -163.66 -164.67 -161.11 1.67 2 0 "[ . 1]"
228 . 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 VAL N 145.00 165.00 165.06 163.11 166.07 1.07 4 0 "[ . 1]"
229 . 1 132 SER C 1 133 VAL N 1 133 VAL CA 1 133 VAL C -138.00 -108.00 -114.03 -107.93 -108.95 0.37 4 0 "[ . 1]"
230 . 1 133 VAL N 1 133 VAL CA 1 133 VAL C 1 134 LYS N 116.00 146.00 127.15 135.14 131.53 . . 0 "[ . 1]"
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