NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593105 |
2ruj   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ruj
save_dihedral_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 298
_TA_constraint_stats_list.Viol_total 2971.14
_TA_constraint_stats_list.Viol_max 3.67
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 1.00
_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 8 VAL C 1 9 SER N 1 9 SER CA 1 9 SER C -130.70 -90.70 -96.10 -130.63 -88.99 1.71 9 0 "[ . 1]"
2 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 ASN N 130.20 175.20 147.33 130.23 161.23 . . 0 "[ . 1]"
3 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 LEU N -54.40 -14.40 -45.23 -55.11 -30.49 0.71 4 0 "[ . 1]"
4 . 1 33 PRO C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -85.20 -45.20 -79.52 -68.42 -82.52 1.65 1 0 "[ . 1]"
5 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ALA N -54.80 -14.80 -22.69 -39.71 -12.33 2.47 7 0 "[ . 1]"
6 . 1 34 LEU C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -88.50 -48.50 -58.60 -62.97 -64.57 . . 0 "[ . 1]"
7 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 GLU N -58.50 -18.50 -34.09 -42.44 -22.95 . . 0 "[ . 1]"
8 . 1 35 ALA C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -94.10 -54.10 -60.59 -70.41 -53.04 1.06 10 0 "[ . 1]"
9 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 ASN N -61.10 -21.10 -35.91 -32.81 -36.03 . . 0 "[ . 1]"
10 . 1 36 GLU C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -104.60 -64.60 -77.24 -102.75 -65.44 . . 0 "[ . 1]"
11 . 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 PHE N -57.10 -17.10 -46.34 -57.90 -38.97 0.80 5 0 "[ . 1]"
12 . 1 37 ASN C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -128.30 -83.30 -106.31 -129.85 -85.15 1.55 6 0 "[ . 1]"
13 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 ALA N -55.70 3.10 -55.36 -58.13 -47.93 2.43 5 0 "[ . 1]"
14 . 1 38 PHE C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -76.10 -36.10 -57.66 -51.45 -62.06 . . 0 "[ . 1]"
15 . 1 43 GLY C 1 44 HIS N 1 44 HIS CA 1 44 HIS C -78.50 -38.50 -61.03 -62.67 -65.17 . . 0 "[ . 1]"
16 . 1 44 HIS N 1 44 HIS CA 1 44 HIS C 1 45 ALA N -56.50 -16.50 -44.38 -44.31 -45.04 . . 0 "[ . 1]"
17 . 1 44 HIS C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -115.90 -75.90 -83.23 -79.07 -79.51 1.06 8 0 "[ . 1]"
18 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 GLU N -20.40 19.60 -14.06 -13.41 -15.01 . . 0 "[ . 1]"
19 . 1 45 ALA C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -126.60 -74.80 -110.81 -126.42 -89.17 . . 0 "[ . 1]"
20 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 SER N 99.20 157.40 101.83 99.07 106.19 0.13 2 0 "[ . 1]"
21 . 1 46 GLU C 1 47 SER N 1 47 SER CA 1 47 SER C -77.50 -37.50 -76.75 -73.32 -77.51 1.16 3 0 "[ . 1]"
22 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 ASN N -45.30 -5.30 -9.93 -28.72 -5.28 0.02 8 0 "[ . 1]"
23 . 1 47 SER C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -120.80 -80.80 -92.75 -109.31 -82.62 . . 0 "[ . 1]"
24 . 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 ALA N -12.70 27.30 15.96 27.31 19.67 2.18 2 0 "[ . 1]"
25 . 1 49 ALA C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -112.90 -70.90 -91.17 -90.32 -108.03 0.48 6 0 "[ . 1]"
26 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 ASN N 135.70 175.70 138.38 134.52 143.74 1.18 8 0 "[ . 1]"
27 . 1 52 LEU C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -133.10 -93.10 -120.62 -125.48 -114.11 . . 0 "[ . 1]"
28 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 ILE N 117.00 157.00 149.23 144.94 140.22 . . 0 "[ . 1]"
29 . 1 53 ASN C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -141.70 -95.10 -121.55 -120.36 -121.65 . . 0 "[ . 1]"
30 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 TYR N 107.20 156.00 138.28 142.19 135.68 . . 0 "[ . 1]"
31 . 1 55 TYR C 1 56 PHE N 1 56 PHE CA 1 56 PHE C -122.10 -67.30 -68.81 -81.49 -66.46 0.84 4 0 "[ . 1]"
32 . 1 56 PHE N 1 56 PHE CA 1 56 PHE C 1 57 PRO N 127.20 168.00 141.14 126.24 148.45 0.96 7 0 "[ . 1]"
33 . 1 57 PRO N 1 57 PRO CA 1 57 PRO C 1 58 SER N -39.20 0.80 -29.73 -33.36 -37.21 0.41 1 0 "[ . 1]"
34 . 1 57 PRO C 1 58 SER N 1 58 SER CA 1 58 SER C -110.30 -70.30 -86.89 -73.86 -82.28 . . 0 "[ . 1]"
35 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 SER N -24.80 15.20 -7.92 -24.97 13.11 0.17 7 0 "[ . 1]"
36 . 1 59 SER C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -101.60 -61.60 -74.51 -101.21 -62.65 . . 0 "[ . 1]"
37 . 1 62 PRO N 1 62 PRO CA 1 62 PRO C 1 63 SER N -39.90 0.10 -3.54 -5.28 -11.12 0.11 6 0 "[ . 1]"
38 . 1 62 PRO C 1 63 SER N 1 63 SER CA 1 63 SER C -109.60 -69.60 -79.54 -73.31 -77.20 0.97 5 0 "[ . 1]"
39 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 LYS N -19.90 20.10 -2.63 -0.77 -2.46 . . 0 "[ . 1]"
40 . 1 63 SER C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -134.50 -90.10 -121.54 -124.13 -126.44 . . 0 "[ . 1]"
41 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 PRO N 81.40 144.60 80.21 79.62 79.29 2.11 1 0 "[ . 1]"
42 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 LEU N 121.20 161.20 159.25 150.67 162.59 1.39 1 0 "[ . 1]"
43 . 1 65 PRO C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -128.80 -74.00 -83.49 -105.64 -73.14 0.86 8 0 "[ . 1]"
44 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 PHE N 107.60 147.60 115.93 106.46 125.46 1.14 10 0 "[ . 1]"
45 . 1 66 LEU C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -121.70 -78.70 -98.10 -102.07 -108.61 . . 0 "[ . 1]"
46 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 VAL N 107.40 147.40 108.71 106.67 106.21 1.59 7 0 "[ . 1]"
47 . 1 67 PHE C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -160.10 -120.10 -143.42 -142.83 -144.53 . . 0 "[ . 1]"
48 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 GLU N 145.10 -174.90 163.46 158.21 170.20 . . 0 "[ . 1]"
49 . 1 68 VAL C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -135.20 -95.20 -126.33 -135.93 -116.84 0.73 10 0 "[ . 1]"
50 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 LEU N 116.20 156.20 137.71 117.12 156.56 0.36 5 0 "[ . 1]"
51 . 1 69 GLU C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -147.60 -107.60 -128.73 -127.06 -131.91 0.31 3 0 "[ . 1]"
52 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ARG N 136.50 176.50 146.12 153.20 151.09 0.36 5 0 "[ . 1]"
53 . 1 70 LEU C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -92.20 -52.20 -68.96 -79.20 -89.36 0.19 8 0 "[ . 1]"
54 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 VAL N -20.30 19.70 -14.18 7.38 -19.97 0.96 3 0 "[ . 1]"
55 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -123.60 -61.80 -89.29 -95.07 -121.40 . . 0 "[ . 1]"
56 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 VAL N 122.30 -175.90 164.55 174.03 169.54 . . 0 "[ . 1]"
57 . 1 75 LEU C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -77.60 -37.60 -63.30 -68.65 -58.09 . . 0 "[ . 1]"
58 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 SER N -60.80 -20.80 -30.53 -45.13 -21.68 . . 0 "[ . 1]"
59 . 1 76 VAL C 1 77 SER N 1 77 SER CA 1 77 SER C -80.80 -40.80 -40.23 -43.47 -38.82 1.98 5 0 "[ . 1]"
60 . 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 GLU N -57.80 -17.80 -30.43 -34.67 -18.57 . . 0 "[ . 1]"
61 . 1 77 SER C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -84.60 -44.60 -68.05 -77.51 -53.94 . . 0 "[ . 1]"
62 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ALA N -60.50 -20.50 -28.35 -22.30 -31.93 1.41 3 0 "[ . 1]"
63 . 1 78 GLU C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -81.60 -41.60 -45.43 -51.42 -41.11 0.49 10 0 "[ . 1]"
64 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 ILE N -63.80 -23.80 -57.70 -53.48 -59.15 0.48 5 0 "[ . 1]"
65 . 1 79 ALA C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -86.00 -46.00 -70.18 -71.14 -72.30 . . 0 "[ . 1]"
66 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 GLY N -63.40 -23.40 -35.29 -41.66 -25.67 . . 0 "[ . 1]"
67 . 1 80 ILE C 1 81 GLY N 1 81 GLY CA 1 81 GLY C -82.90 -42.90 -53.84 -48.92 -53.06 . . 0 "[ . 1]"
68 . 1 81 GLY N 1 81 GLY CA 1 81 GLY C 1 82 TYR N -63.20 -23.20 -33.51 -33.69 -35.51 . . 0 "[ . 1]"
69 . 1 81 GLY C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -80.70 -40.70 -65.78 -69.30 -62.30 . . 0 "[ . 1]"
70 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 ILE N -66.00 -26.00 -27.31 -39.83 -23.59 2.41 1 0 "[ . 1]"
71 . 1 82 TYR C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -83.20 -43.20 -51.48 -47.49 -49.87 0.07 2 0 "[ . 1]"
72 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 LEU N -61.20 -21.20 -35.20 -35.72 -39.02 . . 0 "[ . 1]"
73 . 1 83 ILE C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -81.00 -41.00 -62.79 -64.43 -65.31 . . 0 "[ . 1]"
74 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 LEU N -57.80 -17.80 -42.60 -42.58 -42.77 . . 0 "[ . 1]"
75 . 1 84 LEU C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -82.70 -42.70 -64.04 -63.94 -64.79 . . 0 "[ . 1]"
76 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 GLN N -59.20 -19.20 -41.34 -40.17 -41.56 . . 0 "[ . 1]"
77 . 1 85 LEU C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -88.00 -48.00 -59.94 -57.26 -62.22 . . 0 "[ . 1]"
78 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 TYR N -58.80 -18.80 -38.35 -44.17 -31.62 . . 0 "[ . 1]"
79 . 1 86 GLN C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -86.50 -46.50 -60.57 -63.76 -58.03 . . 0 "[ . 1]"
80 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 VAL N -64.10 -24.10 -49.92 -48.83 -49.09 . . 0 "[ . 1]"
81 . 1 87 TYR C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -83.40 -43.40 -72.64 -74.22 -76.75 0.86 4 0 "[ . 1]"
82 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ASN N -62.40 -22.40 -42.68 -47.45 -37.48 . . 0 "[ . 1]"
83 . 1 88 VAL C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -87.40 -47.40 -68.47 -79.45 -63.15 . . 0 "[ . 1]"
84 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 GLN N -45.60 -5.60 -44.77 -46.84 -42.93 1.24 2 0 "[ . 1]"
85 . 1 89 ASN C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -109.50 -69.50 -102.78 -110.54 -89.40 1.04 2 0 "[ . 1]"
86 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 GLN N -10.10 29.90 -9.18 -12.63 -6.49 2.53 2 0 "[ . 1]"
87 . 1 90 GLN C 1 91 GLN N 1 91 GLN CA 1 91 GLN C 37.70 77.70 47.47 36.60 53.08 1.10 9 0 "[ . 1]"
88 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 PRO N 125.20 165.20 145.01 124.07 157.94 1.13 3 0 "[ . 1]"
89 . 1 95 PRO N 1 95 PRO CA 1 95 PRO C 1 96 ILE N 127.40 167.40 150.87 142.07 161.07 . . 0 "[ . 1]"
90 . 1 95 PRO C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -117.50 -76.50 -100.28 -81.42 -105.92 0.68 8 0 "[ . 1]"
91 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 GLU N 107.20 147.20 140.63 145.50 140.87 1.03 8 0 "[ . 1]"
92 . 1 96 ILE C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -92.90 -52.90 -51.61 -51.17 -51.37 1.73 2 0 "[ . 1]"
93 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 ASP N 121.70 163.30 141.33 122.61 156.13 . . 0 "[ . 1]"
94 . 1 97 GLU C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -78.30 -38.30 -64.44 -73.27 -61.24 . . 0 "[ . 1]"
95 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 GLU N -54.40 -14.40 -34.66 -22.38 -33.71 1.09 2 0 "[ . 1]"
96 . 1 98 ASP C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -90.10 -50.10 -62.56 -78.61 -55.10 . . 0 "[ . 1]"
97 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ALA N -46.70 -6.70 -27.31 -7.19 -15.63 . . 0 "[ . 1]"
98 . 1 99 GLU C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -120.20 -80.20 -92.53 -113.16 -80.87 . . 0 "[ . 1]"
99 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 GLN N -19.90 20.10 -11.13 -20.05 0.04 0.15 3 0 "[ . 1]"
100 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 ASN N -47.50 -7.50 -20.64 -23.38 -25.94 . . 0 "[ . 1]"
101 . 1 103 PRO C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -93.90 -53.90 -70.27 -94.51 -61.77 0.61 3 0 "[ . 1]"
102 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 TYR N -33.00 7.00 -26.20 -35.78 7.37 2.78 4 0 "[ . 1]"
103 . 1 104 ASN C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -110.80 -70.80 -78.80 -110.15 -68.94 1.86 1 0 "[ . 1]"
104 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 TRP N -39.30 7.70 -30.58 -34.92 -37.07 1.75 4 0 "[ . 1]"
105 . 1 105 TYR C 1 106 TRP N 1 106 TRP CA 1 106 TRP C -154.50 -114.50 -121.62 -141.55 -113.42 1.08 1 0 "[ . 1]"
106 . 1 106 TRP N 1 106 TRP CA 1 106 TRP C 1 107 ASN N 129.30 169.30 154.66 150.58 145.46 . . 0 "[ . 1]"
107 . 1 106 TRP C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -159.30 -119.30 -119.96 -130.21 -117.50 1.80 1 0 "[ . 1]"
108 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 LEU N 127.50 167.50 155.16 162.31 158.76 . . 0 "[ . 1]"
109 . 1 107 ASN C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -150.00 -110.00 -108.90 -110.49 -106.33 3.67 1 0 "[ . 1]"
110 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 ARG N 121.20 161.20 124.81 120.84 133.85 0.36 8 0 "[ . 1]"
111 . 1 108 LEU C 1 109 ARG N 1 109 ARG CA 1 109 ARG C -147.70 -107.70 -116.01 -115.93 -116.35 . . 0 "[ . 1]"
112 . 1 109 ARG N 1 109 ARG CA 1 109 ARG C 1 110 ILE N 140.10 -179.90 146.53 139.70 160.29 0.40 2 0 "[ . 1]"
113 . 1 109 ARG C 1 110 ILE N 1 110 ILE CA 1 110 ILE C -120.30 -75.90 -77.55 -85.50 -74.62 1.28 10 0 "[ . 1]"
114 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 VAL N 113.70 153.70 146.99 143.34 141.55 . . 0 "[ . 1]"
115 . 1 110 ILE C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -147.70 -107.70 -127.14 -135.74 -119.33 . . 0 "[ . 1]"
116 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 GLU N 144.00 -176.00 148.40 160.32 157.59 2.47 9 0 "[ . 1]"
117 . 1 111 VAL C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -107.50 -67.50 -88.72 -73.41 -83.30 . . 0 "[ . 1]"
118 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 ASP N 150.60 -169.40 172.61 156.16 -170.75 . . 0 "[ . 1]"
119 . 1 112 GLU C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -73.20 -33.20 -63.75 -61.65 -64.31 . . 0 "[ . 1]"
120 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 ASP N -56.00 -16.00 -27.70 -36.56 -17.50 . . 0 "[ . 1]"
121 . 1 113 ASP C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -115.90 -75.90 -80.50 -76.11 -76.40 0.64 4 0 "[ . 1]"
122 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 GLY N -20.40 19.60 -5.36 -7.18 -8.14 . . 0 "[ . 1]"
123 . 1 114 ASP C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 70.70 110.70 84.90 87.00 86.44 . . 0 "[ . 1]"
124 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 GLU N -19.10 20.90 10.95 5.66 15.58 . . 0 "[ . 1]"
125 . 1 117 LEU C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -113.20 -71.80 -93.04 -72.87 -87.18 . . 0 "[ . 1]"
126 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 GLU N 98.30 148.10 105.86 147.70 111.46 0.72 3 0 "[ . 1]"
127 . 1 118 ASP C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -86.40 -46.40 -81.74 -57.83 -71.46 1.39 3 0 "[ . 1]"
128 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 ASP N -40.70 -0.70 -14.00 -39.81 0.91 1.61 6 0 "[ . 1]"
129 . 1 119 GLU C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -112.00 -72.00 -77.20 -90.96 -69.93 2.07 6 0 "[ . 1]"
130 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 PHE N -27.40 27.40 -8.72 -26.95 10.74 . . 0 "[ . 1]"
131 . 1 122 PRO N 1 122 PRO CA 1 122 PRO C 1 123 ALA N 130.50 170.50 153.29 140.05 167.68 . . 0 "[ . 1]"
132 . 1 122 PRO C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -125.20 -77.60 -106.39 -125.55 -77.70 0.35 8 0 "[ . 1]"
133 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 LEU N 116.60 156.80 115.77 114.09 116.82 2.51 2 0 "[ . 1]"
134 . 1 125 ASP C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -85.20 -45.20 -53.28 -65.82 -45.54 . . 0 "[ . 1]"
135 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 VAL N -50.70 -10.70 -19.15 -33.06 -10.05 0.65 9 0 "[ . 1]"
136 . 1 126 ARG C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -120.20 -80.20 -79.88 -88.99 -76.94 3.26 3 0 "[ . 1]"
137 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 GLY N -25.00 15.40 -11.95 -10.49 -16.84 . . 0 "[ . 1]"
138 . 1 129 PRO N 1 129 PRO CA 1 129 PRO C 1 130 LEU N 125.00 165.00 139.11 127.18 149.52 . . 0 "[ . 1]"
139 . 1 129 PRO C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -74.40 -34.40 -63.13 -61.34 -70.78 1.93 1 0 "[ . 1]"
140 . 1 132 LYS N 1 132 LYS CA 1 132 LYS C 1 133 PHE N -51.20 -11.20 -28.65 -20.93 -27.30 1.01 7 0 "[ . 1]"
141 . 1 132 LYS C 1 133 PHE N 1 133 PHE CA 1 133 PHE C -109.90 -69.90 -104.14 -111.53 -89.36 1.63 10 0 "[ . 1]"
142 . 1 133 PHE N 1 133 PHE CA 1 133 PHE C 1 134 GLY N -22.50 17.50 -20.63 -24.17 -11.26 1.67 9 0 "[ . 1]"
143 . 1 133 PHE C 1 134 GLY N 1 134 GLY CA 1 134 GLY C 60.00 100.00 75.53 62.18 83.40 . . 0 "[ . 1]"
144 . 1 134 GLY N 1 134 GLY CA 1 134 GLY C 1 135 PHE N -3.90 36.10 7.83 -4.17 30.29 0.27 2 0 "[ . 1]"
145 . 1 134 GLY C 1 135 PHE N 1 135 PHE CA 1 135 PHE C -121.10 -81.10 -83.81 -89.99 -95.87 1.03 3 0 "[ . 1]"
146 . 1 135 PHE N 1 135 PHE CA 1 135 PHE C 1 136 ASP N 118.60 171.40 146.10 157.73 149.97 . . 0 "[ . 1]"
147 . 1 136 ASP C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -157.70 -117.70 -152.88 -159.11 -141.23 1.41 3 0 "[ . 1]"
148 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 PHE N 134.90 174.90 138.21 136.11 135.08 1.51 1 0 "[ . 1]"
149 . 1 137 ALA C 1 138 PHE N 1 138 PHE CA 1 138 PHE C -164.10 -124.10 -154.67 -160.43 -144.59 . . 0 "[ . 1]"
150 . 1 138 PHE N 1 138 PHE CA 1 138 PHE C 1 139 ALA N 131.40 171.40 170.92 173.64 172.86 2.74 6 0 "[ . 1]"
151 . 1 138 PHE C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -159.20 -119.20 -133.39 -128.90 -133.23 . . 0 "[ . 1]"
152 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 LEU N 117.10 157.10 152.04 152.78 151.88 1.95 4 0 "[ . 1]"
153 . 1 139 ALA C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -136.50 -92.30 -90.15 -91.54 -88.80 3.50 4 0 "[ . 1]"
154 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 VAL N 113.60 153.60 127.97 113.27 135.79 0.33 10 0 "[ . 1]"
155 . 1 140 LEU C 1 141 VAL N 1 141 VAL CA 1 141 VAL C -145.40 -105.40 -121.54 -128.57 -107.93 . . 0 "[ . 1]"
156 . 1 141 VAL N 1 141 VAL CA 1 141 VAL C 1 142 LYS N 125.40 165.40 150.95 133.54 160.85 . . 0 "[ . 1]"
157 . 1 141 VAL C 1 142 LYS N 1 142 LYS CA 1 142 LYS C -114.00 -65.60 -67.61 -71.10 -63.63 1.97 1 0 "[ . 1]"
158 . 1 142 LYS N 1 142 LYS CA 1 142 LYS C 1 143 ALA N 107.80 147.80 131.98 131.47 129.43 . . 0 "[ . 1]"
159 . 1 145 PRO N 1 145 PRO CA 1 145 PRO C 1 146 ALA N -55.20 -15.20 -38.50 -49.79 -27.04 . . 0 "[ . 1]"
160 . 1 145 PRO C 1 146 ALA N 1 146 ALA CA 1 146 ALA C -85.50 -45.50 -60.29 -63.99 -54.17 . . 0 "[ . 1]"
161 . 1 146 ALA N 1 146 ALA CA 1 146 ALA C 1 147 GLN N -56.90 -16.90 -46.56 -45.50 -48.11 . . 0 "[ . 1]"
162 . 1 146 ALA C 1 147 GLN N 1 147 GLN CA 1 147 GLN C -86.60 -46.60 -80.31 -80.54 -82.32 0.86 5 0 "[ . 1]"
163 . 1 147 GLN N 1 147 GLN CA 1 147 GLN C 1 148 ILE N -61.90 -21.90 -33.17 -39.71 -25.13 . . 0 "[ . 1]"
164 . 1 147 GLN C 1 148 ILE N 1 148 ILE CA 1 148 ILE C -82.50 -42.50 -63.25 -62.22 -63.04 . . 0 "[ . 1]"
165 . 1 148 ILE N 1 148 ILE CA 1 148 ILE C 1 149 LYS N -62.10 -22.10 -44.03 -47.84 -42.68 . . 0 "[ . 1]"
166 . 1 148 ILE C 1 149 LYS N 1 149 LYS CA 1 149 LYS C -79.70 -39.70 -61.17 -63.55 -63.97 . . 0 "[ . 1]"
167 . 1 149 LYS N 1 149 LYS CA 1 149 LYS C 1 150 GLU N -58.80 -18.80 -40.43 -39.40 -40.07 . . 0 "[ . 1]"
168 . 1 149 LYS C 1 150 GLU N 1 150 GLU CA 1 150 GLU C -86.60 -46.60 -66.54 -71.29 -60.09 . . 0 "[ . 1]"
169 . 1 150 GLU N 1 150 GLU CA 1 150 GLU C 1 151 ASN N -61.60 -21.60 -46.43 -54.94 -36.87 . . 0 "[ . 1]"
170 . 1 150 GLU C 1 151 ASN N 1 151 ASN CA 1 151 ASN C -86.60 -46.60 -64.56 -64.23 -64.57 . . 0 "[ . 1]"
171 . 1 151 ASN N 1 151 ASN CA 1 151 ASN C 1 152 GLN N -59.90 -19.90 -41.22 -40.41 -41.77 . . 0 "[ . 1]"
172 . 1 151 ASN C 1 152 GLN N 1 152 GLN CA 1 152 GLN C -86.20 -46.20 -66.43 -63.60 -66.57 . . 0 "[ . 1]"
173 . 1 152 GLN N 1 152 GLN CA 1 152 GLN C 1 153 ALA N -52.80 -12.80 -39.26 -35.40 -39.52 . . 0 "[ . 1]"
174 . 1 152 GLN C 1 153 ALA N 1 153 ALA CA 1 153 ALA C -86.80 -46.80 -67.36 -63.43 -69.25 . . 0 "[ . 1]"
175 . 1 155 TYR N 1 155 TYR CA 1 155 TYR C 1 156 PRO N 75.60 138.20 84.49 77.53 77.05 . . 0 "[ . 1]"
176 . 1 156 PRO N 1 156 PRO CA 1 156 PRO C 1 157 PHE N 120.10 160.10 148.70 143.06 157.13 . . 0 "[ . 1]"
177 . 1 156 PRO C 1 157 PHE N 1 157 PHE CA 1 157 PHE C -132.30 -79.70 -82.08 -93.53 -78.03 1.67 6 0 "[ . 1]"
178 . 1 157 PHE N 1 157 PHE CA 1 157 PHE C 1 158 LYS N 108.00 148.00 128.50 118.65 142.63 . . 0 "[ . 1]"
179 . 1 157 PHE C 1 158 LYS N 1 158 LYS CA 1 158 LYS C -127.50 -70.10 -81.14 -120.53 -69.73 0.37 1 0 "[ . 1]"
180 . 1 158 LYS N 1 158 LYS CA 1 158 LYS C 1 159 SER N 101.80 152.00 138.65 137.19 134.28 . . 0 "[ . 1]"
181 . 1 158 LYS C 1 159 SER N 1 159 SER CA 1 159 SER C -128.70 -63.90 -80.09 -75.39 -78.52 . . 0 "[ . 1]"
182 . 1 159 SER N 1 159 SER CA 1 159 SER C 1 160 LYS N 112.60 155.20 151.30 155.79 154.81 0.59 2 0 "[ . 1]"
183 . 1 44 HIS N 1 44 HIS CA 1 44 HIS CB 1 44 HIS CG 150.00 -150.00 -176.92 -173.88 -174.63 . . 0 "[ . 1]"
184 . 1 67 PHE N 1 67 PHE CA 1 67 PHE CB 1 67 PHE CG 150.00 -150.00 -174.90 161.32 -162.99 . . 0 "[ . 1]"
185 . 1 82 TYR N 1 82 TYR CA 1 82 TYR CB 1 82 TYR CG 150.00 -150.00 -168.26 -173.33 -161.74 . . 0 "[ . 1]"
186 . 1 87 TYR N 1 87 TYR CA 1 87 TYR CB 1 87 TYR CG 150.00 -150.00 175.32 172.04 178.39 . . 0 "[ . 1]"
187 . 1 155 TYR N 1 155 TYR CA 1 155 TYR CB 1 155 TYR CG 150.00 -150.00 -166.55 167.28 -154.29 . . 0 "[ . 1]"
188 . 1 157 PHE N 1 157 PHE CA 1 157 PHE CB 1 157 PHE CG 150.00 -150.00 -177.92 178.43 172.74 . . 0 "[ . 1]"
189 . 1 24 HIS N 1 24 HIS CA 1 24 HIS CB 1 24 HIS CG -90.00 -30.00 -65.24 -59.18 -61.13 . . 0 "[ . 1]"
190 . 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -90.00 -30.00 -70.30 -74.27 -65.74 . . 0 "[ . 1]"
191 . 1 105 TYR N 1 105 TYR CA 1 105 TYR CB 1 105 TYR CG -90.00 -30.00 -79.16 -82.53 -85.20 . . 0 "[ . 1]"
192 . 1 133 PHE N 1 133 PHE CA 1 133 PHE CB 1 133 PHE CG -90.00 -30.00 -84.40 -84.93 -87.24 . . 0 "[ . 1]"
193 . 1 135 PHE N 1 135 PHE CA 1 135 PHE CB 1 135 PHE CG -90.00 -30.00 -83.78 -74.01 -78.28 . . 0 "[ . 1]"
194 . 1 138 PHE N 1 138 PHE CA 1 138 PHE CB 1 138 PHE CG -90.00 -30.00 -68.95 -55.40 -64.73 . . 0 "[ . 1]"
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