NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655250 |
6m6f   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6m6f
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 214
_TA_constraint_stats_list.Viol_count 155
_TA_constraint_stats_list.Viol_total 1641.45
_TA_constraint_stats_list.Viol_max 2.82
_TA_constraint_stats_list.Viol_rms 0.33
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.06
_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 GLN C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -136.70 -87.10 -131.07 -130.73 -133.28 1.30 1 0 "[ . 1]"
2 . 1 3 VAL N 1 3 VAL CA 1 3 VAL C 1 4 ARG N 113.80 160.40 138.65 134.52 147.73 . . 0 "[ . 1]"
3 . 1 3 VAL C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -144.30 -104.30 -140.63 -145.12 -136.31 0.82 7 0 "[ . 1]"
4 . 1 4 ARG N 1 4 ARG CA 1 4 ARG C 1 5 GLN N 116.00 165.20 150.84 141.45 157.23 . . 0 "[ . 1]"
5 . 1 4 ARG C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -132.20 -77.60 -103.51 -106.27 -109.42 . . 0 "[ . 1]"
6 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 ARG N 108.70 148.70 122.27 121.52 119.93 . . 0 "[ . 1]"
7 . 1 5 GLN C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -150.10 -110.10 -148.04 -149.11 -150.58 1.99 6 0 "[ . 1]"
8 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 TYR N 131.10 171.50 158.53 158.59 157.37 . . 0 "[ . 1]"
9 . 1 6 ARG C 1 7 TYR N 1 7 TYR CA 1 7 TYR C -135.00 -88.80 -95.55 -101.23 -90.65 . . 0 "[ . 1]"
10 . 1 7 TYR N 1 7 TYR CA 1 7 TYR C 1 8 LEU N 102.70 147.70 136.63 131.15 148.82 1.12 6 0 "[ . 1]"
11 . 1 7 TYR C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -125.80 -85.80 -93.99 -110.93 -85.64 0.16 3 0 "[ . 1]"
12 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 TYR N 105.90 145.90 117.76 112.90 125.11 . . 0 "[ . 1]"
13 . 1 8 LEU C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -134.60 -91.40 -128.65 -128.55 -130.77 1.36 7 0 "[ . 1]"
14 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 THR N 106.20 146.20 136.37 133.50 128.46 0.72 9 0 "[ . 1]"
15 . 1 9 TYR C 1 10 THR N 1 10 THR CA 1 10 THR C -155.70 -115.70 -134.03 -116.04 -128.55 . . 0 "[ . 1]"
16 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 SER N 128.60 -177.40 152.17 128.31 167.20 0.29 2 0 "[ . 1]"
17 . 1 10 THR C 1 11 SER N 1 11 SER CA 1 11 SER C -136.20 -47.20 -107.66 -73.00 -74.16 1.20 6 0 "[ . 1]"
18 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 GLY N 117.40 179.40 134.98 153.58 150.62 0.20 8 0 "[ . 1]"
19 . 1 17 SER C 1 18 SER N 1 18 SER CA 1 18 SER C -156.10 -26.30 -67.91 -94.62 -39.09 . . 0 "[ . 1]"
20 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 CYS N 113.50 168.10 151.54 132.62 168.39 0.29 4 0 "[ . 1]"
21 . 1 18 SER C 1 19 CYS N 1 19 CYS CA 1 19 CYS C -173.60 -48.20 -118.65 -129.55 -90.07 . . 0 "[ . 1]"
22 . 1 19 CYS N 1 19 CYS CA 1 19 CYS C 1 20 HIS N 117.40 172.60 119.00 116.34 128.72 1.06 2 0 "[ . 1]"
23 . 1 19 CYS C 1 20 HIS N 1 20 HIS CA 1 20 HIS C -115.90 -62.90 -114.60 -113.85 -114.48 2.79 5 0 "[ . 1]"
24 . 1 20 HIS N 1 20 HIS CA 1 20 HIS C 1 21 LEU N 80.40 158.60 127.46 116.92 143.07 . . 0 "[ . 1]"
25 . 1 20 HIS C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -96.10 -53.30 -58.94 -52.41 -53.69 1.71 6 0 "[ . 1]"
26 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLU N 112.10 155.10 127.83 122.39 134.46 . . 0 "[ . 1]"
27 . 1 21 LEU C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -155.10 -103.10 -133.32 -136.92 -122.79 . . 0 "[ . 1]"
28 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ILE N 112.70 163.50 139.28 133.38 128.41 . . 0 "[ . 1]"
29 . 1 22 GLU C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -139.00 -49.80 -109.99 -118.23 -105.85 . . 0 "[ . 1]"
30 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 ARG N 100.90 157.30 127.71 124.70 132.28 . . 0 "[ . 1]"
31 . 1 23 ILE C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -97.10 -57.10 -83.69 -89.76 -94.30 . . 0 "[ . 1]"
32 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 GLU N 139.50 -173.70 158.60 153.66 162.46 . . 0 "[ . 1]"
33 . 1 24 ARG C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -83.40 -43.40 -69.32 -70.42 -72.26 . . 0 "[ . 1]"
34 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ASP N -43.10 -3.10 -27.40 -31.41 -23.42 . . 0 "[ . 1]"
35 . 1 25 GLU C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -106.90 -66.90 -72.50 -70.73 -72.62 . . 0 "[ . 1]"
36 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 GLY N -17.00 23.00 -8.15 -6.52 -7.24 . . 0 "[ . 1]"
37 . 1 26 ASP C 1 27 GLY N 1 27 GLY CA 1 27 GLY C 69.80 109.80 91.96 87.47 96.52 . . 0 "[ . 1]"
38 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 THR N -21.40 18.60 8.75 8.37 7.20 . . 0 "[ . 1]"
39 . 1 27 GLY C 1 28 THR N 1 28 THR CA 1 28 THR C -115.60 -61.00 -84.24 -87.99 -77.83 . . 0 "[ . 1]"
40 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 VAL N 130.30 -179.50 161.83 161.91 159.98 . . 0 "[ . 1]"
41 . 1 28 THR C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -142.40 -102.20 -130.88 -133.80 -123.35 . . 0 "[ . 1]"
42 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 GLY N 116.30 163.90 142.54 143.83 142.28 . . 0 "[ . 1]"
43 . 1 29 VAL C 1 30 GLY N 1 30 GLY CA 1 30 GLY C -173.40 -96.20 -170.91 -175.49 -165.28 2.09 5 0 "[ . 1]"
44 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 CYS N 131.50 -173.30 -177.78 -173.20 -175.22 0.44 3 0 "[ . 1]"
45 . 1 30 GLY C 1 31 CYS N 1 31 CYS CA 1 31 CYS C -159.10 -82.10 -100.10 -111.70 -89.46 . . 0 "[ . 1]"
46 . 1 31 CYS N 1 31 CYS CA 1 31 CYS C 1 32 ALA N 111.80 163.00 160.09 157.12 163.26 0.26 1 0 "[ . 1]"
47 . 1 31 CYS C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -138.90 -42.10 -131.92 -132.07 -133.74 0.85 5 0 "[ . 1]"
48 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ALA N 142.50 -174.30 145.03 141.32 156.74 1.18 9 0 "[ . 1]"
49 . 1 32 ALA C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -113.40 -13.40 -109.49 -105.58 -108.98 0.76 6 0 "[ . 1]"
50 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ASP N -42.60 -2.60 -7.23 -10.64 -4.42 . . 0 "[ . 1]"
51 . 1 36 SER C 1 37 PRO N 1 37 PRO CA 1 37 PRO C -76.50 -36.50 -52.68 -54.36 -55.72 . . 0 "[ . 1]"
52 . 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 GLU N -53.00 -13.00 -34.20 -37.48 -31.36 . . 0 "[ . 1]"
53 . 1 37 PRO C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -90.40 -50.40 -57.04 -68.32 -51.70 . . 0 "[ . 1]"
54 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 SER N -36.30 3.70 -19.18 -20.36 -23.77 . . 0 "[ . 1]"
55 . 1 38 GLU C 1 39 SER N 1 39 SER CA 1 39 SER C -117.60 -77.60 -88.46 -88.11 -89.20 . . 0 "[ . 1]"
56 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 LEU N -17.40 22.60 -3.62 -13.79 9.22 . . 0 "[ . 1]"
57 . 1 39 SER C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -110.60 -56.00 -84.12 -91.74 -97.97 . . 0 "[ . 1]"
58 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LEU N 108.00 148.00 116.20 111.80 121.63 . . 0 "[ . 1]"
59 . 1 40 LEU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -138.60 -96.60 -117.45 -119.60 -119.92 . . 0 "[ . 1]"
60 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 GLN N 109.10 168.30 128.49 125.54 130.79 . . 0 "[ . 1]"
61 . 1 41 LEU C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -151.80 -75.00 -80.25 -86.74 -97.55 . . 0 "[ . 1]"
62 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 LEU N 96.00 162.80 113.98 103.73 119.78 . . 0 "[ . 1]"
63 . 1 42 GLN C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -121.80 -80.00 -87.34 -88.86 -89.12 . . 0 "[ . 1]"
64 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 LYS N 105.10 145.10 120.33 115.92 124.61 . . 0 "[ . 1]"
65 . 1 43 LEU C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -149.10 -92.90 -117.01 -126.26 -104.39 . . 0 "[ . 1]"
66 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 ALA N 104.70 166.50 136.55 131.16 142.52 . . 0 "[ . 1]"
67 . 1 44 LYS C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -95.60 -53.80 -94.60 -97.35 -89.52 1.75 5 0 "[ . 1]"
68 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 LEU N 102.40 157.00 103.57 100.31 109.64 2.09 10 0 "[ . 1]"
69 . 1 46 LEU C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -172.00 -42.00 -137.06 -124.66 -135.30 . . 0 "[ . 1]"
70 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 PRO N 123.60 177.40 151.45 135.45 157.69 . . 0 "[ . 1]"
71 . 1 47 LYS C 1 48 PRO N 1 48 PRO CA 1 48 PRO C -74.70 -34.70 -47.86 -47.80 -53.06 . . 0 "[ . 1]"
72 . 1 48 PRO N 1 48 PRO CA 1 48 PRO C 1 49 GLY N 106.00 153.40 116.51 109.92 122.77 . . 0 "[ . 1]"
73 . 1 48 PRO C 1 49 GLY N 1 49 GLY CA 1 49 GLY C 65.50 105.50 97.26 99.09 94.32 0.31 10 0 "[ . 1]"
74 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 VAL N -19.80 20.20 -16.37 -21.08 -10.17 1.28 10 0 "[ . 1]"
75 . 1 49 GLY C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -141.80 -70.40 -118.19 -124.64 -107.98 . . 0 "[ . 1]"
76 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 ILE N 116.50 164.70 131.02 133.27 132.49 . . 0 "[ . 1]"
77 . 1 50 VAL C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -153.00 -106.00 -133.54 -132.00 -132.72 . . 0 "[ . 1]"
78 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 GLN N 123.70 168.30 166.33 164.02 168.18 . . 0 "[ . 1]"
79 . 1 51 ILE C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -152.70 -109.90 -130.29 -132.69 -126.25 . . 0 "[ . 1]"
80 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 ILE N 118.60 165.60 145.70 143.38 148.66 . . 0 "[ . 1]"
81 . 1 52 GLN C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -117.30 -71.90 -119.01 -119.91 -117.71 2.61 8 0 "[ . 1]"
82 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 LEU N 101.20 141.20 126.75 124.93 123.21 . . 0 "[ . 1]"
83 . 1 53 ILE C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -142.60 -97.60 -127.28 -132.66 -117.99 . . 0 "[ . 1]"
84 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 GLY N 116.40 158.00 121.23 116.32 129.67 0.08 3 0 "[ . 1]"
85 . 1 55 GLY C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -86.50 -46.50 -66.73 -64.49 -64.83 . . 0 "[ . 1]"
86 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LYS N -50.60 -10.60 -44.36 -46.27 -42.64 . . 0 "[ . 1]"
87 . 1 56 VAL C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -90.60 -50.60 -65.01 -63.48 -64.79 . . 0 "[ . 1]"
88 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 THR N -55.20 -15.20 -46.78 -50.19 -43.82 . . 0 "[ . 1]"
89 . 1 57 LYS C 1 58 THR N 1 58 THR CA 1 58 THR C -129.90 -89.90 -91.18 -95.73 -88.78 1.12 8 0 "[ . 1]"
90 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 SER N -25.30 14.70 -20.11 -27.60 -13.92 2.30 4 0 "[ . 1]"
91 . 1 58 THR C 1 59 SER N 1 59 SER CA 1 59 SER C 35.90 75.90 60.92 60.12 58.64 . . 0 "[ . 1]"
92 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 ARG N 22.10 62.10 25.73 28.30 26.48 0.22 1 0 "[ . 1]"
93 . 1 59 SER C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -155.00 -91.40 -105.20 -110.91 -101.92 . . 0 "[ . 1]"
94 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 PHE N 132.00 172.00 141.76 145.20 142.33 . . 0 "[ . 1]"
95 . 1 60 ARG C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -127.70 -69.30 -89.42 -94.44 -82.81 . . 0 "[ . 1]"
96 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 LEU N 105.80 145.80 119.14 109.28 134.09 . . 0 "[ . 1]"
97 . 1 61 PHE C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -130.70 -46.70 -73.88 -74.16 -86.11 . . 0 "[ . 1]"
98 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 CYS N 105.90 145.90 111.49 111.96 110.17 . . 0 "[ . 1]"
99 . 1 62 LEU C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -155.10 -109.50 -125.00 -130.73 -119.23 . . 0 "[ . 1]"
100 . 1 63 CYS N 1 63 CYS CA 1 63 CYS C 1 64 GLN N 135.80 176.00 148.78 153.83 150.78 . . 0 "[ . 1]"
101 . 1 63 CYS C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -152.40 -106.40 -104.90 -104.36 -104.61 2.25 4 0 "[ . 1]"
102 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 ARG N 112.40 169.40 132.26 128.33 136.48 . . 0 "[ . 1]"
103 . 1 64 GLN C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -115.50 -54.90 -80.76 -66.38 -75.12 . . 0 "[ . 1]"
104 . 1 65 ARG N 1 65 ARG CA 1 65 ARG C 1 66 PRO N 134.00 -178.40 162.52 143.08 170.05 . . 0 "[ . 1]"
105 . 1 65 ARG C 1 66 PRO N 1 66 PRO CA 1 66 PRO C -76.40 -36.40 -53.11 -50.01 -52.20 . . 0 "[ . 1]"
106 . 1 66 PRO N 1 66 PRO CA 1 66 PRO C 1 67 ASP N -45.10 -5.10 -32.04 -33.22 -36.55 . . 0 "[ . 1]"
107 . 1 66 PRO C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -102.70 -62.70 -68.58 -74.01 -65.03 . . 0 "[ . 1]"
108 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 GLY N -20.90 19.10 -8.84 -8.45 -9.43 . . 0 "[ . 1]"
109 . 1 67 ASP C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 74.40 114.40 86.19 91.90 89.88 . . 0 "[ . 1]"
110 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 ALA N -28.60 11.40 12.45 11.66 13.39 1.99 9 0 "[ . 1]"
111 . 1 68 GLY C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -89.70 -49.70 -86.76 -91.98 -80.86 2.28 6 0 "[ . 1]"
112 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 LEU N 121.50 161.50 146.97 152.55 147.97 . . 0 "[ . 1]"
113 . 1 69 ALA C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -135.10 -76.70 -100.34 -114.48 -92.05 . . 0 "[ . 1]"
114 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 TYR N 114.30 154.30 134.95 131.68 137.94 . . 0 "[ . 1]"
115 . 1 70 LEU C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -169.70 -129.70 -156.60 -156.90 -160.66 . . 0 "[ . 1]"
116 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 GLY N 142.10 -177.90 149.02 147.51 147.19 . . 0 "[ . 1]"
117 . 1 72 GLY C 1 73 SER N 1 73 SER CA 1 73 SER C -149.80 -86.60 -131.58 -124.38 -130.30 . . 0 "[ . 1]"
118 . 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 LEU N 114.70 165.90 145.85 130.07 157.40 . . 0 "[ . 1]"
119 . 1 74 LEU C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -164.50 -95.70 -111.87 -130.10 -135.37 2.82 7 0 "[ . 1]"
120 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 PHE N 105.90 174.10 147.23 132.21 159.62 . . 0 "[ . 1]"
121 . 1 76 PHE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -137.50 -74.50 -132.50 -139.08 -125.65 1.58 2 0 "[ . 1]"
122 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 PRO N 89.20 129.20 102.41 106.15 101.07 . . 0 "[ . 1]"
123 . 1 77 ASP C 1 78 PRO N 1 78 PRO CA 1 78 PRO C -77.80 -37.80 -58.57 -71.00 -51.18 . . 0 "[ . 1]"
124 . 1 78 PRO N 1 78 PRO CA 1 78 PRO C 1 79 GLU N -48.00 -8.00 -33.67 -25.04 -40.04 . . 0 "[ . 1]"
125 . 1 78 PRO C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -85.80 -45.80 -64.72 -72.23 -57.86 . . 0 "[ . 1]"
126 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 ALA N -45.30 -4.90 -14.47 -19.69 -6.07 . . 0 "[ . 1]"
127 . 1 79 GLU C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -138.80 -46.00 -134.04 -131.53 -136.61 1.34 4 0 "[ . 1]"
128 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 CYS N -36.10 7.50 -28.90 -32.61 -34.77 . . 0 "[ . 1]"
129 . 1 80 ALA C 1 81 CYS N 1 81 CYS CA 1 81 CYS C -125.50 -81.10 -89.99 -83.21 -90.14 . . 0 "[ . 1]"
130 . 1 81 CYS N 1 81 CYS CA 1 81 CYS C 1 82 SER N -12.10 28.30 -10.01 -14.86 -2.41 2.76 4 0 "[ . 1]"
131 . 1 81 CYS C 1 82 SER N 1 82 SER CA 1 82 SER C -144.70 -70.70 -81.04 -80.83 -81.47 . . 0 "[ . 1]"
132 . 1 82 SER N 1 82 SER CA 1 82 SER C 1 83 PHE N 109.90 164.30 137.34 137.94 133.40 . . 0 "[ . 1]"
133 . 1 82 SER C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -157.00 -93.00 -135.94 -141.12 -128.72 . . 0 "[ . 1]"
134 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 ARG N 113.30 159.30 146.99 143.15 149.34 . . 0 "[ . 1]"
135 . 1 83 PHE C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -129.10 -78.30 -96.28 -100.21 -101.99 . . 0 "[ . 1]"
136 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 GLU N 108.30 148.30 138.11 132.42 143.95 . . 0 "[ . 1]"
137 . 1 84 ARG C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -133.90 -90.90 -89.91 -90.64 -89.36 1.54 10 0 "[ . 1]"
138 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 LEU N 101.00 141.00 119.47 104.32 126.55 . . 0 "[ . 1]"
139 . 1 85 GLU C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -121.00 -79.60 -108.87 -114.04 -116.90 . . 0 "[ . 1]"
140 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N 101.70 141.70 123.65 105.27 135.43 . . 0 "[ . 1]"
141 . 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -124.00 -80.00 -113.84 -115.83 -118.74 . . 0 "[ . 1]"
142 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N 103.00 143.00 130.61 116.17 142.98 . . 0 "[ . 1]"
143 . 1 87 LEU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -108.60 -68.60 -98.87 -82.65 -91.01 1.62 7 0 "[ . 1]"
144 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 GLU N 140.60 -179.40 145.14 140.20 149.73 0.40 9 0 "[ . 1]"
145 . 1 88 LEU C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -81.90 -41.90 -56.04 -59.80 -53.24 . . 0 "[ . 1]"
146 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 ASP N -43.90 -3.90 -24.63 -27.41 -29.58 . . 0 "[ . 1]"
147 . 1 89 GLU C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -107.00 -67.00 -71.93 -79.02 -66.05 0.95 3 0 "[ . 1]"
148 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 GLY N -15.30 24.70 -10.52 -15.57 -6.76 0.27 2 0 "[ . 1]"
149 . 1 90 ASP C 1 91 GLY N 1 91 GLY CA 1 91 GLY C 72.30 112.30 92.63 104.44 96.13 . . 0 "[ . 1]"
150 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 TYR N -24.20 22.80 14.99 3.16 22.80 0.00 6 0 "[ . 1]"
151 . 1 91 GLY C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -156.60 -35.80 -99.25 -83.83 -90.47 . . 0 "[ . 1]"
152 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 ASN N 125.50 172.50 146.28 135.74 157.56 . . 0 "[ . 1]"
153 . 1 92 TYR C 1 93 ASN N 1 93 ASN CA 1 93 ASN C -154.20 -85.80 -118.88 -112.71 -118.58 . . 0 "[ . 1]"
154 . 1 93 ASN N 1 93 ASN CA 1 93 ASN C 1 94 VAL N 128.80 169.40 139.21 135.88 145.67 . . 0 "[ . 1]"
155 . 1 93 ASN C 1 94 VAL N 1 94 VAL CA 1 94 VAL C -155.80 -106.00 -134.02 -139.27 -126.43 . . 0 "[ . 1]"
156 . 1 94 VAL N 1 94 VAL CA 1 94 VAL C 1 95 TYR N 130.60 170.60 157.05 154.48 160.53 . . 0 "[ . 1]"
157 . 1 94 VAL C 1 95 TYR N 1 95 TYR CA 1 95 TYR C -152.30 -95.70 -119.77 -123.51 -115.52 . . 0 "[ . 1]"
158 . 1 95 TYR N 1 95 TYR CA 1 95 TYR C 1 96 GLN N 119.90 175.50 143.93 151.65 147.01 . . 0 "[ . 1]"
159 . 1 95 TYR C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -162.50 -117.90 -144.05 -151.07 -136.25 . . 0 "[ . 1]"
160 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 SER N 129.20 175.80 137.39 132.88 129.78 0.27 5 0 "[ . 1]"
161 . 1 96 GLN C 1 97 SER N 1 97 SER CA 1 97 SER C -87.30 -47.30 -64.42 -71.01 -58.28 . . 0 "[ . 1]"
162 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 GLU N 116.10 165.10 124.80 120.62 117.13 0.26 9 0 "[ . 1]"
163 . 1 97 SER C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -83.70 -43.70 -75.15 -84.96 -70.25 1.26 7 0 "[ . 1]"
164 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 ALA N -53.20 -13.20 -32.29 -42.03 -22.36 . . 0 "[ . 1]"
165 . 1 98 GLU C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -87.10 -47.10 -64.75 -74.96 -54.39 . . 0 "[ . 1]"
166 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 HIS N -56.10 -14.30 -52.32 -48.31 -50.51 0.71 7 0 "[ . 1]"
167 . 1 99 ALA C 1 100 HIS N 1 100 HIS CA 1 100 HIS C -122.10 -82.10 -108.07 -111.84 -114.89 0.22 10 0 "[ . 1]"
168 . 1 100 HIS N 1 100 HIS CA 1 100 HIS C 1 101 GLY N -17.10 22.90 -13.25 -18.82 -3.26 1.72 2 0 "[ . 1]"
169 . 1 100 HIS C 1 101 GLY N 1 101 GLY CA 1 101 GLY C 54.30 94.30 79.65 69.81 85.84 . . 0 "[ . 1]"
170 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 LEU N 4.30 44.30 15.88 10.33 19.36 . . 0 "[ . 1]"
171 . 1 101 GLY C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -122.80 -71.40 -73.38 -78.85 -70.37 1.03 9 0 "[ . 1]"
172 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 PRO N 103.20 151.80 133.09 138.95 137.68 . . 0 "[ . 1]"
173 . 1 102 LEU C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -81.60 -41.60 -71.16 -76.44 -54.56 . . 0 "[ . 1]"
174 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 LEU N 118.50 158.50 150.17 151.73 150.22 . . 0 "[ . 1]"
175 . 1 103 PRO C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -141.40 -47.00 -97.55 -108.74 -86.39 . . 0 "[ . 1]"
176 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 HIS N 109.40 149.40 123.29 120.18 128.80 . . 0 "[ . 1]"
177 . 1 104 LEU C 1 105 HIS N 1 105 HIS CA 1 105 HIS C -155.20 -48.00 -153.74 -155.56 -148.56 0.36 2 0 "[ . 1]"
178 . 1 105 HIS N 1 105 HIS CA 1 105 HIS C 1 106 LEU N 108.30 177.30 156.79 148.35 164.41 . . 0 "[ . 1]"
179 . 1 105 HIS C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -126.90 -50.30 -66.09 -81.00 -57.88 . . 0 "[ . 1]"
180 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 PRO N 100.40 180.00 142.66 113.76 157.92 . . 0 "[ . 1]"
181 . 1 106 LEU C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -74.80 -34.80 -60.74 -53.02 -56.06 0.81 4 0 "[ . 1]"
182 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 GLY N 112.50 152.50 143.40 133.66 153.84 1.34 8 0 "[ . 1]"
183 . 1 111 SER C 1 112 PRO N 1 112 PRO CA 1 112 PRO C -87.00 -47.00 -63.21 -70.00 -51.57 . . 0 "[ . 1]"
184 . 1 112 PRO N 1 112 PRO CA 1 112 PRO C 1 113 HIS N 130.90 170.90 148.84 140.56 158.43 . . 0 "[ . 1]"
185 . 1 112 PRO C 1 113 HIS N 1 113 HIS CA 1 113 HIS C -89.20 -46.60 -65.71 -85.35 -44.90 1.70 10 0 "[ . 1]"
186 . 1 113 HIS N 1 113 HIS CA 1 113 HIS C 1 114 ARG N 113.30 163.10 127.01 111.23 160.39 2.07 4 0 "[ . 1]"
187 . 1 114 ARG C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -140.40 -30.60 -72.23 -29.06 -37.11 1.54 2 0 "[ . 1]"
188 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 PRO N 86.00 170.60 140.12 83.95 172.71 2.11 5 0 "[ . 1]"
189 . 1 120 GLY C 1 121 PRO N 1 121 PRO CA 1 121 PRO C -86.10 -46.10 -67.94 -71.36 -76.28 . . 0 "[ . 1]"
190 . 1 121 PRO N 1 121 PRO CA 1 121 PRO C 1 122 ALA N 130.10 170.10 150.37 152.26 149.79 . . 0 "[ . 1]"
191 . 1 121 PRO C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -88.70 -48.70 -80.22 -73.95 -83.14 0.62 3 0 "[ . 1]"
192 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 ARG N 112.30 157.90 129.68 116.22 144.12 . . 0 "[ . 1]"
193 . 1 122 ALA C 1 123 ARG N 1 123 ARG CA 1 123 ARG C -130.00 -65.20 -75.90 -80.42 -68.48 . . 0 "[ . 1]"
194 . 1 123 ARG N 1 123 ARG CA 1 123 ARG C 1 124 PHE N 110.10 150.90 133.86 129.61 139.15 . . 0 "[ . 1]"
195 . 1 123 ARG C 1 124 PHE N 1 124 PHE CA 1 124 PHE C -139.80 -93.80 -117.96 -120.58 -120.68 . . 0 "[ . 1]"
196 . 1 124 PHE N 1 124 PHE CA 1 124 PHE C 1 125 LEU N 113.60 153.60 146.06 147.70 144.68 0.46 10 0 "[ . 1]"
197 . 1 124 PHE C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -139.90 -90.50 -126.77 -137.21 -113.96 . . 0 "[ . 1]"
198 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 PRO N 92.90 145.10 105.05 112.69 110.67 0.12 3 0 "[ . 1]"
199 . 1 125 LEU C 1 126 PRO N 1 126 PRO CA 1 126 PRO C -93.50 -53.50 -70.21 -79.03 -80.54 . . 0 "[ . 1]"
200 . 1 126 PRO N 1 126 PRO CA 1 126 PRO C 1 127 LEU N 112.70 163.70 128.29 126.23 116.45 . . 0 "[ . 1]"
201 . 1 126 PRO C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -121.60 -78.80 -102.32 -114.29 -91.89 . . 0 "[ . 1]"
202 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 PRO N 104.50 150.70 135.04 110.51 151.25 0.55 4 0 "[ . 1]"
203 . 1 127 LEU C 1 128 PRO N 1 128 PRO CA 1 128 PRO C -80.00 -40.00 -51.88 -70.64 -47.65 . . 0 "[ . 1]"
204 . 1 128 PRO N 1 128 PRO CA 1 128 PRO C 1 129 GLY N 121.90 161.90 129.57 130.78 130.49 1.47 4 0 "[ . 1]"
205 . 1 16 LEU C 1 17 SER N 1 17 SER CA 1 17 SER C -169.20 -12.40 -144.73 -166.61 -168.51 . . 0 "[ . 1]"
206 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 SER N 78.90 -165.70 176.86 153.39 -164.28 1.42 1 0 "[ . 1]"
207 . 1 33 ALA C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -171.90 -11.90 -104.34 -117.39 -96.85 . . 0 "[ . 1]"
208 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 GLN N -24.00 36.00 7.33 11.70 1.21 . . 0 "[ . 1]"
209 . 1 35 GLN C 1 36 SER N 1 36 SER CA 1 36 SER C -138.20 -29.60 -118.75 -117.61 -122.74 . . 0 "[ . 1]"
210 . 1 36 SER N 1 36 SER CA 1 36 SER C 1 37 PRO N 77.80 -163.60 163.71 151.16 177.25 . . 0 "[ . 1]"
211 . 1 71 TYR C 1 72 GLY N 1 72 GLY CA 1 72 GLY C -152.70 -65.90 -82.06 -77.17 -79.90 . . 0 "[ . 1]"
212 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 SER N 90.60 -170.80 141.66 133.97 148.95 . . 0 "[ . 1]"
213 . 1 75 HIS C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -108.40 -45.20 -87.04 -74.32 -88.27 . . 0 "[ . 1]"
214 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 ASP N 94.80 156.60 130.81 134.86 131.91 . . 0 "[ . 1]"
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