NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577485 |
2mkw   |
19798 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mkw
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 288
_TA_constraint_stats_list.Viol_total 199994.84
_TA_constraint_stats_list.Viol_max 151.94
_TA_constraint_stats_list.Viol_rms 16.91
_TA_constraint_stats_list.Viol_average_all_restraints 2.58
_TA_constraint_stats_list.Viol_average_violations_only 34.72
_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 ASN C 1 2 PHE N 1 2 PHE CA 1 2 PHE C -169.00 -69.00 -110.10 -108.10 -128.69 . . 0 "[ . 1 . 2]"
2 . 1 2 PHE N 1 2 PHE CA 1 2 PHE C 1 3 MET N 90.00 178.00 130.44 125.70 122.21 0.04 14 0 "[ . 1 . 2]"
3 . 1 2 PHE C 1 3 MET N 1 3 MET CA 1 3 MET C -156.00 -112.00 -151.96 -152.96 -154.04 0.14 17 0 "[ . 1 . 2]"
4 . 1 3 MET N 1 3 MET CA 1 3 MET C 1 4 LEU N 137.00 177.00 167.64 159.37 172.47 . . 0 "[ . 1 . 2]"
5 . 1 3 MET C 1 4 LEU N 1 4 LEU CA 1 4 LEU C -146.00 -74.00 -119.32 -129.89 -104.91 . . 0 "[ . 1 . 2]"
6 . 1 4 LEU N 1 4 LEU CA 1 4 LEU C 1 5 THR N 118.00 158.00 141.66 127.69 151.95 . . 0 "[ . 1 . 2]"
7 . 1 4 LEU C 1 5 THR N 1 5 THR CA 1 5 THR C -129.00 -77.00 -115.97 -117.71 -120.76 0.01 5 0 "[ . 1 . 2]"
8 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 GLN N 99.00 147.00 124.53 113.19 138.31 . . 0 "[ . 1 . 2]"
9 . 1 5 THR C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -146.00 -74.00 -139.44 -146.12 -123.39 0.12 14 0 "[ . 1 . 2]"
10 . 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 PRO N 108.00 -160.00 171.09 155.52 -175.91 . . 0 "[ . 1 . 2]"
11 . 1 6 GLN C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -84.00 -44.00 -64.12 -58.17 -69.52 . . 0 "[ . 1 . 2]"
12 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 HIS N 125.00 165.00 146.20 155.41 152.83 . . 0 "[ . 1 . 2]"
13 . 1 7 PRO C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -125.00 -49.00 -71.75 -88.14 -61.64 . . 0 "[ . 1 . 2]"
14 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 SER N -58.00 -2.00 -39.26 -37.19 -38.39 . . 0 "[ . 1 . 2]"
15 . 1 8 HIS C 1 9 SER N 1 9 SER CA 1 9 SER C -180.00 -124.00 -167.39 -162.00 -162.92 0.12 15 0 "[ . 1 . 2]"
16 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 VAL N 121.00 177.00 154.22 151.95 148.47 . . 0 "[ . 1 . 2]"
17 . 1 9 SER C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -166.00 -106.00 -161.25 -166.01 -149.62 0.01 9 0 "[ . 1 . 2]"
18 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 SER N 106.00 -170.00 154.10 148.68 161.16 . . 0 "[ . 1 . 2]"
19 . 1 10 VAL C 1 11 SER N 1 11 SER CA 1 11 SER C -141.00 -81.00 -137.63 -141.16 -127.70 0.16 2 0 "[ . 1 . 2]"
20 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 GLU N 122.00 166.00 156.88 164.28 161.02 . . 0 "[ . 1 . 2]"
21 . 1 11 SER C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -156.00 -104.00 -156.04 -156.30 -154.40 0.30 11 0 "[ . 1 . 2]"
22 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 SER N 126.00 166.00 150.65 155.24 150.91 . . 0 "[ . 1 . 2]"
23 . 1 12 GLU C 1 13 SER N 1 13 SER CA 1 13 SER C -166.00 -26.00 -87.76 -100.85 -78.28 . . 0 "[ . 1 . 2]"
24 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 PRO N 106.00 -162.00 151.40 143.89 156.89 . . 0 "[ . 1 . 2]"
25 . 1 13 SER C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -77.00 -37.00 -59.41 -57.66 -58.28 . . 0 "[ . 1 . 2]"
26 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 GLY N 115.00 159.00 150.59 125.90 159.07 0.07 18 0 "[ . 1 . 2]"
27 . 1 14 PRO C 1 15 GLY N 1 15 GLY CA 1 15 GLY C 62.00 118.00 97.92 90.22 87.76 . . 0 "[ . 1 . 2]"
28 . 1 15 GLY N 1 15 GLY CA 1 15 GLY C 1 16 LYS N -40.00 16.00 -31.07 -33.86 -34.61 . . 0 "[ . 1 . 2]"
29 . 1 15 GLY C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -103.00 -63.00 -85.07 -72.30 -75.88 . . 0 "[ . 1 . 2]"
30 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 THR N 63.00 -157.00 -166.07 -175.28 177.11 . . 0 "[ . 1 . 2]"
31 . 1 16 LYS C 1 17 THR N 1 17 THR CA 1 17 THR C -140.00 -84.00 -122.61 -133.80 -83.98 0.02 19 0 "[ . 1 . 2]"
32 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 VAL N 112.00 168.00 162.76 154.70 168.24 0.24 18 0 "[ . 1 . 2]"
33 . 1 17 THR C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -163.00 -95.00 -125.95 -146.35 -116.02 . . 0 "[ . 1 . 2]"
34 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 THR N 120.00 164.00 135.11 134.22 132.63 . . 0 "[ . 1 . 2]"
35 . 1 18 VAL C 1 19 THR N 1 19 THR CA 1 19 THR C -134.00 -94.00 -121.80 -128.89 -116.97 . . 0 "[ . 1 . 2]"
36 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 ILE N 109.00 149.00 119.80 114.89 126.69 . . 0 "[ . 1 . 2]"
37 . 1 19 THR C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -155.00 -79.00 -106.60 -113.30 -114.08 . . 0 "[ . 1 . 2]"
38 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 SER N 109.00 153.00 124.45 119.90 116.37 . . 0 "[ . 1 . 2]"
39 . 1 20 ILE C 1 21 SER N 1 21 SER CA 1 21 SER C -152.00 -72.00 -104.65 -104.27 -104.95 . . 0 "[ . 1 . 2]"
40 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 CYS N 99.00 163.00 126.72 134.40 130.51 . . 0 "[ . 1 . 2]"
41 . 1 21 SER C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -154.00 -114.00 -120.24 -134.12 -113.55 0.45 5 0 "[ . 1 . 2]"
42 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 THR N 117.00 161.00 117.01 116.70 116.59 0.96 3 0 "[ . 1 . 2]"
43 . 1 22 CYS C 1 23 THR N 1 23 THR CA 1 23 THR C -113.00 -65.00 -107.51 -113.73 -93.75 0.73 16 0 "[ . 1 . 2]"
44 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 GLY N 109.00 149.00 136.83 126.67 143.07 . . 0 "[ . 1 . 2]"
45 . 1 23 THR C 1 24 GLY N 1 24 GLY CA 1 24 GLY C 149.00 -71.00 -106.95 -99.57 -100.35 . . 0 "[ . 1 . 2]"
46 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 SER N 117.00 -155.00 150.99 142.33 133.05 . . 0 "[ . 1 . 2]"
47 . 1 27 GLY C 1 28 SER N 1 28 SER CA 1 28 SER C -128.00 -60.00 -88.91 -109.23 -60.38 . . 0 "[ . 1 . 2]"
48 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 ILE N 100.00 144.00 138.09 140.85 138.73 0.34 15 0 "[ . 1 . 2]"
49 . 1 28 SER C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -115.00 -47.00 -72.11 -70.44 -74.11 . . 0 "[ . 1 . 2]"
50 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 ALA N -58.00 18.00 -1.20 -1.89 -2.76 . . 0 "[ . 1 . 2]"
51 . 1 30 ALA C 1 31 SER N 1 31 SER CA 1 31 SER C -106.00 -58.00 -76.41 -73.49 -76.46 . . 0 "[ . 1 . 2]"
52 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 ASN N -77.00 11.00 -11.93 -19.76 -7.12 . . 0 "[ . 1 . 2]"
53 . 1 32 ASN C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -137.00 -73.00 -85.00 -93.07 -80.81 . . 0 "[ . 1 . 2]"
54 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 VAL N 111.00 151.00 144.57 148.72 147.22 . . 0 "[ . 1 . 2]"
55 . 1 33 TYR C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -138.00 -98.00 -123.62 -130.10 -112.58 . . 0 "[ . 1 . 2]"
56 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 GLN N 108.00 148.00 140.50 137.86 137.11 0.17 10 0 "[ . 1 . 2]"
57 . 1 34 VAL C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -149.00 -109.00 -124.49 -129.57 -119.51 . . 0 "[ . 1 . 2]"
58 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 TRP N 138.00 178.00 152.91 163.02 160.91 . . 0 "[ . 1 . 2]"
59 . 1 35 GLN C 1 36 TRP N 1 36 TRP CA 1 36 TRP C -153.00 -85.00 -113.11 -121.36 -124.69 . . 0 "[ . 1 . 2]"
60 . 1 36 TRP N 1 36 TRP CA 1 36 TRP C 1 37 TYR N 122.00 166.00 146.97 149.17 148.42 . . 0 "[ . 1 . 2]"
61 . 1 36 TRP C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -162.00 -98.00 -140.11 -158.28 -125.22 . . 0 "[ . 1 . 2]"
62 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 GLN N 114.00 154.00 154.40 154.52 154.44 0.83 3 0 "[ . 1 . 2]"
63 . 1 37 TYR C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -175.00 -95.00 -128.75 -131.55 -132.35 . . 0 "[ . 1 . 2]"
64 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 GLN N 108.00 148.00 142.20 132.46 148.32 0.32 12 0 "[ . 1 . 2]"
65 . 1 38 GLN C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -137.00 -85.00 -118.00 -120.21 -120.79 . . 0 "[ . 1 . 2]"
66 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 ARG N 94.00 134.00 99.39 97.58 112.08 . . 0 "[ . 1 . 2]"
67 . 1 39 GLN C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -145.00 -41.00 -89.50 -100.27 -78.93 . . 0 "[ . 1 . 2]"
68 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 PRO N 52.00 -168.00 131.93 109.45 148.90 . . 0 "[ . 1 . 2]"
69 . 1 40 ARG C 1 41 PRO N 1 41 PRO CA 1 41 PRO C -76.00 -36.00 -57.12 -59.48 -53.84 . . 0 "[ . 1 . 2]"
70 . 1 41 PRO N 1 41 PRO CA 1 41 PRO C 1 42 GLY N 116.00 160.00 136.72 140.66 137.93 . . 0 "[ . 1 . 2]"
71 . 1 41 PRO C 1 42 GLY N 1 42 GLY CA 1 42 GLY C 65.00 113.00 83.31 76.71 73.24 . . 0 "[ . 1 . 2]"
72 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 SER N -31.00 9.00 -10.87 -11.98 -13.50 . . 0 "[ . 1 . 2]"
73 . 1 42 GLY C 1 43 SER N 1 43 SER CA 1 43 SER C -157.00 -37.00 -127.73 -152.15 -86.98 . . 0 "[ . 1 . 2]"
74 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 SER N 134.00 178.00 160.56 138.76 178.08 0.08 6 0 "[ . 1 . 2]"
75 . 1 43 SER C 1 44 SER N 1 44 SER CA 1 44 SER C -163.00 -47.00 -78.57 -82.89 -85.72 . . 0 "[ . 1 . 2]"
76 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 PRO N 111.00 -141.00 173.54 178.00 175.48 . . 0 "[ . 1 . 2]"
77 . 1 45 PRO C 1 46 THR N 1 46 THR CA 1 46 THR C -140.00 -56.00 -133.00 -138.43 -138.64 . . 0 "[ . 1 . 2]"
78 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 THR N 90.00 -178.00 128.85 110.83 149.70 . . 0 "[ . 1 . 2]"
79 . 1 46 THR C 1 47 THR N 1 47 THR CA 1 47 THR C -111.00 -47.00 -60.95 -65.18 -68.60 . . 0 "[ . 1 . 2]"
80 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 VAL N -51.00 -3.00 126.02 116.07 133.13 136.13 5 20 [****+**********-****]
81 . 1 48 VAL C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -145.00 -105.00 -143.24 -145.18 -138.78 0.18 17 0 "[ . 1 . 2]"
82 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 TYR N 132.00 176.00 167.50 170.13 169.25 . . 0 "[ . 1 . 2]"
83 . 1 49 ILE C 1 50 TYR N 1 50 TYR CA 1 50 TYR C 170.00 -82.00 -132.06 -144.27 -110.59 . . 0 "[ . 1 . 2]"
84 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 GLU N 133.00 -171.00 145.58 148.10 147.01 0.46 3 0 "[ . 1 . 2]"
85 . 1 50 TYR C 1 51 GLU N 1 51 GLU CA 1 51 GLU C 33.00 73.00 48.38 45.60 44.66 . . 0 "[ . 1 . 2]"
86 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ASP N 19.00 59.00 22.14 20.88 27.45 . . 0 "[ . 1 . 2]"
87 . 1 51 GLU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C 37.00 77.00 46.80 46.21 46.11 . . 0 "[ . 1 . 2]"
88 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 ASN N 14.00 54.00 19.57 19.15 18.95 . . 0 "[ . 1 . 2]"
89 . 1 52 ASP C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -113.00 -61.00 -111.76 -112.91 -108.06 . . 0 "[ . 1 . 2]"
90 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 GLN N -54.00 34.00 -36.56 -20.72 -20.85 . . 0 "[ . 1 . 2]"
91 . 1 53 ASN C 1 54 GLN N 1 54 GLN CA 1 54 GLN C 172.00 -48.00 -173.55 168.94 -151.19 3.06 2 0 "[ . 1 . 2]"
92 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 ARG N 69.00 -163.00 -179.24 158.30 -161.33 1.67 14 0 "[ . 1 . 2]"
93 . 1 54 GLN C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -155.00 -63.00 -122.25 -110.61 -126.90 . . 0 "[ . 1 . 2]"
94 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 PRO N 109.00 -155.00 155.71 151.15 163.63 . . 0 "[ . 1 . 2]"
95 . 1 55 ARG C 1 56 PRO N 1 56 PRO CA 1 56 PRO C -88.00 -48.00 -55.71 -59.30 -50.96 . . 0 "[ . 1 . 2]"
96 . 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1 57 SER N 128.00 172.00 154.94 151.74 145.31 . . 0 "[ . 1 . 2]"
97 . 1 56 PRO C 1 57 SER N 1 57 SER CA 1 57 SER C -82.00 -42.00 -68.04 -74.37 -52.58 . . 0 "[ . 1 . 2]"
98 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 GLY N 118.00 158.00 139.48 136.07 134.62 . . 0 "[ . 1 . 2]"
99 . 1 57 SER C 1 58 GLY N 1 58 GLY CA 1 58 GLY C 65.00 117.00 106.97 109.79 108.23 . . 0 "[ . 1 . 2]"
100 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 VAL N -40.00 16.00 -35.87 -39.11 -26.31 . . 0 "[ . 1 . 2]"
101 . 1 58 GLY C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -141.00 -49.00 -74.52 -78.44 -71.03 . . 0 "[ . 1 . 2]"
102 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 PRO N 76.00 -156.00 154.14 149.92 147.68 . . 0 "[ . 1 . 2]"
103 . 1 59 VAL C 1 60 PRO N 1 60 PRO CA 1 60 PRO C -79.00 -39.00 -57.61 -55.10 -55.64 . . 0 "[ . 1 . 2]"
104 . 1 60 PRO N 1 60 PRO CA 1 60 PRO C 1 61 ASP N 126.00 166.00 156.23 160.62 158.15 0.28 2 0 "[ . 1 . 2]"
105 . 1 60 PRO C 1 61 ASP N 1 61 ASP CA 1 61 ASP C 38.00 86.00 -108.91 -101.73 -103.95 151.94 8 20 [*******+-***********]
106 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 ARG N 2.00 66.00 23.76 -116.82 41.44 118.82 13 3 "[ - *. 1 + . 2]"
107 . 1 61 ASP C 1 62 ARG N 1 62 ARG CA 1 62 ARG C 40.00 84.00 -68.25 62.18 -58.52 134.97 1 17 "[+ * ******-* *******]"
108 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 PHE N -8.00 52.00 -18.21 -68.91 6.61 60.91 13 11 "[ ***- * * +**** 2]"
109 . 1 62 ARG C 1 63 PHE N 1 63 PHE CA 1 63 PHE C -136.00 -44.00 -111.43 -80.07 -108.73 . . 0 "[ . 1 . 2]"
110 . 1 63 PHE N 1 63 PHE CA 1 63 PHE C 1 64 SER N 72.00 -148.00 147.68 136.93 156.58 . . 0 "[ . 1 . 2]"
111 . 1 63 PHE C 1 64 SER N 1 64 SER CA 1 64 SER C 173.00 -75.00 -142.50 -147.14 -150.48 . . 0 "[ . 1 . 2]"
112 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 GLY N 116.00 -172.00 132.78 123.50 119.06 . . 0 "[ . 1 . 2]"
113 . 1 65 GLY C 1 66 SER N 1 66 SER CA 1 66 SER C -170.00 -82.00 -143.49 -150.02 -135.04 . . 0 "[ . 1 . 2]"
114 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 ILE N 127.00 167.00 151.38 152.47 150.62 . . 0 "[ . 1 . 2]"
115 . 1 66 SER C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -139.00 -91.00 -126.71 -138.79 -115.01 . . 0 "[ . 1 . 2]"
116 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 ASP N 107.00 147.00 142.38 138.37 134.03 . . 0 "[ . 1 . 2]"
117 . 1 67 ILE C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -124.00 -52.00 -121.98 -124.18 -116.20 0.18 3 0 "[ . 1 . 2]"
118 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 SER N 63.00 -173.00 87.95 80.40 96.47 . . 0 "[ . 1 . 2]"
119 . 1 68 ASP C 1 69 SER N 1 69 SER CA 1 69 SER C -76.00 -36.00 -56.69 -55.09 -56.78 . . 0 "[ . 1 . 2]"
120 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 SER N -55.00 -15.00 -31.83 -35.82 -37.74 . . 0 "[ . 1 . 2]"
121 . 1 69 SER C 1 70 SER N 1 70 SER CA 1 70 SER C -90.00 -50.00 -72.52 -86.11 -58.33 . . 0 "[ . 1 . 2]"
122 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 SER N -51.00 5.00 -51.05 -51.12 -51.13 0.31 4 0 "[ . 1 . 2]"
123 . 1 70 SER C 1 71 SER N 1 71 SER CA 1 71 SER C -115.00 -75.00 -80.80 -85.23 -76.92 . . 0 "[ . 1 . 2]"
124 . 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 ASN N -23.00 17.00 -5.80 -9.52 1.44 . . 0 "[ . 1 . 2]"
125 . 1 72 ASN C 1 73 SER N 1 73 SER CA 1 73 SER C 178.00 -94.00 -143.64 -149.68 -151.03 . . 0 "[ . 1 . 2]"
126 . 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 ALA N 118.00 -174.00 156.31 143.74 166.33 . . 0 "[ . 1 . 2]"
127 . 1 73 SER C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -156.00 -100.00 -111.14 -107.70 -109.40 . . 0 "[ . 1 . 2]"
128 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 SER N 112.00 180.00 143.96 117.64 155.78 . . 0 "[ . 1 . 2]"
129 . 1 74 ALA C 1 75 SER N 1 75 SER CA 1 75 SER C -165.00 -93.00 -140.49 -143.32 -145.10 . . 0 "[ . 1 . 2]"
130 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 LEU N 117.00 157.00 128.37 116.86 143.12 0.14 2 0 "[ . 1 . 2]"
131 . 1 75 SER C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -160.00 -68.00 -103.61 -111.70 -95.63 . . 0 "[ . 1 . 2]"
132 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 THR N 102.00 142.00 136.74 130.25 138.66 . . 0 "[ . 1 . 2]"
133 . 1 76 LEU C 1 77 THR N 1 77 THR CA 1 77 THR C -154.00 -94.00 -107.84 -109.47 -110.17 . . 0 "[ . 1 . 2]"
134 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 ILE N 105.00 153.00 122.20 115.04 131.41 . . 0 "[ . 1 . 2]"
135 . 1 77 THR C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -157.00 -77.00 -108.21 -109.36 -110.62 . . 0 "[ . 1 . 2]"
136 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 SER N 96.00 164.00 137.33 123.91 148.77 . . 0 "[ . 1 . 2]"
137 . 1 78 ILE C 1 79 SER N 1 79 SER CA 1 79 SER C -159.00 -55.00 -118.64 -139.24 -86.40 . . 0 "[ . 1 . 2]"
138 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 GLY N 99.00 -165.00 135.47 120.73 164.49 . . 0 "[ . 1 . 2]"
139 . 1 79 SER C 1 80 GLY N 1 80 GLY CA 1 80 GLY C 28.00 104.00 63.07 85.79 78.67 . . 0 "[ . 1 . 2]"
140 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 LEU N -33.00 79.00 64.22 39.40 76.71 . . 0 "[ . 1 . 2]"
141 . 1 80 GLY C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -96.00 -56.00 -74.07 -75.54 -77.82 . . 0 "[ . 1 . 2]"
142 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 LYS N 113.00 165.00 148.74 150.03 148.33 0.14 5 0 "[ . 1 . 2]"
143 . 1 81 LEU C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -153.00 -57.00 -145.10 -147.97 -150.34 0.21 14 0 "[ . 1 . 2]"
144 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 THR N 101.00 -147.00 169.53 172.25 170.37 . . 0 "[ . 1 . 2]"
145 . 1 82 LYS C 1 83 THR N 1 83 THR CA 1 83 THR C -78.00 -38.00 -53.94 -61.68 -45.98 . . 0 "[ . 1 . 2]"
146 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 GLU N -57.00 -13.00 -32.43 -37.97 -25.87 . . 0 "[ . 1 . 2]"
147 . 1 83 THR C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -87.00 -47.00 -55.02 -55.67 -54.83 . . 0 "[ . 1 . 2]"
148 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 ASP N -53.00 27.00 -8.72 -18.15 0.33 . . 0 "[ . 1 . 2]"
149 . 1 84 GLU C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -113.00 -41.00 -102.70 -113.07 -86.37 0.07 12 0 "[ . 1 . 2]"
150 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 GLU N -79.00 33.00 -21.51 -30.06 -31.49 . . 0 "[ . 1 . 2]"
151 . 1 85 ASP C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -137.00 -53.00 -44.89 -41.53 -42.84 20.70 17 14 "[****.*-*** * ** + *2]"
152 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 ALA N -49.00 31.00 99.11 97.32 96.94 88.85 16 20 [*******-*******+****]
153 . 1 86 GLU C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -175.00 -35.00 -177.06 172.96 -165.37 12.04 6 6 "[ * *+ *1 - .* 2]"
154 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ASP N 80.00 -160.00 -171.40 -173.20 -176.29 . . 0 "[ . 1 . 2]"
155 . 1 87 ALA C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -161.00 -73.00 -96.31 -93.81 -95.38 . . 0 "[ . 1 . 2]"
156 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 TYR N 127.00 167.00 143.92 148.29 144.43 0.25 20 0 "[ . 1 . 2]"
157 . 1 88 ASP C 1 89 TYR N 1 89 TYR CA 1 89 TYR C -162.00 -90.00 -110.65 -128.44 -89.86 0.14 17 0 "[ . 1 . 2]"
158 . 1 89 TYR N 1 89 TYR CA 1 89 TYR C 1 90 TYR N 119.00 179.00 148.57 133.01 165.88 . . 0 "[ . 1 . 2]"
159 . 1 89 TYR C 1 90 TYR N 1 90 TYR CA 1 90 TYR C -159.00 -103.00 -134.52 -124.59 -130.70 . . 0 "[ . 1 . 2]"
160 . 1 90 TYR N 1 90 TYR CA 1 90 TYR C 1 91 CYS N 122.00 166.00 152.30 149.19 146.20 . . 0 "[ . 1 . 2]"
161 . 1 90 TYR C 1 91 CYS N 1 91 CYS CA 1 91 CYS C -156.00 -116.00 -120.27 -134.24 -117.36 . . 0 "[ . 1 . 2]"
162 . 1 91 CYS N 1 91 CYS CA 1 91 CYS C 1 92 GLN N 136.00 176.00 144.70 141.68 150.08 . . 0 "[ . 1 . 2]"
163 . 1 91 CYS C 1 92 GLN N 1 92 GLN CA 1 92 GLN C -161.00 -109.00 -130.92 -136.31 -142.21 . . 0 "[ . 1 . 2]"
164 . 1 92 GLN N 1 92 GLN CA 1 92 GLN C 1 93 SER N 113.00 153.00 133.45 115.04 151.18 . . 0 "[ . 1 . 2]"
165 . 1 92 GLN C 1 93 SER N 1 93 SER CA 1 93 SER C -144.00 -84.00 -130.53 -136.15 -141.74 2.18 20 0 "[ . 1 . 2]"
166 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 TYR N 104.00 148.00 162.96 156.30 167.07 19.07 1 20 [+*************-*****]
167 . 1 93 SER C 1 94 TYR N 1 94 TYR CA 1 94 TYR C -170.00 -98.00 -122.93 -131.36 -116.82 . . 0 "[ . 1 . 2]"
168 . 1 94 TYR N 1 94 TYR CA 1 94 TYR C 1 95 ASP N 134.00 -174.00 143.55 148.15 145.55 . . 0 "[ . 1 . 2]"
169 . 1 94 TYR C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -116.00 -60.00 -101.26 -116.03 -78.77 0.03 14 0 "[ . 1 . 2]"
170 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 SER N 148.00 -168.00 175.50 175.49 174.14 0.02 13 0 "[ . 1 . 2]"
171 . 1 95 ASP C 1 96 SER N 1 96 SER CA 1 96 SER C -81.00 -33.00 -60.50 -75.36 -45.34 . . 0 "[ . 1 . 2]"
172 . 1 96 SER N 1 96 SER CA 1 96 SER C 1 97 SER N -52.00 4.00 -26.37 -22.67 -25.13 . . 0 "[ . 1 . 2]"
173 . 1 96 SER C 1 97 SER N 1 97 SER CA 1 97 SER C -125.00 -69.00 -80.39 -111.61 -68.90 0.10 14 0 "[ . 1 . 2]"
174 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 ASN N -4.00 36.00 8.20 13.46 11.81 . . 0 "[ . 1 . 2]"
175 . 1 97 SER C 1 98 ASN N 1 98 ASN CA 1 98 ASN C 42.00 82.00 59.03 45.82 69.46 . . 0 "[ . 1 . 2]"
176 . 1 98 ASN N 1 98 ASN CA 1 98 ASN C 1 99 HIS N 12.00 52.00 40.86 28.93 50.11 . . 0 "[ . 1 . 2]"
177 . 1 98 ASN C 1 99 HIS N 1 99 HIS CA 1 99 HIS C -113.00 -61.00 -110.55 -113.33 -91.84 0.33 18 0 "[ . 1 . 2]"
178 . 1 99 HIS N 1 99 HIS CA 1 99 HIS C 1 100 VAL N 111.00 163.00 131.66 141.67 137.96 . . 0 "[ . 1 . 2]"
179 . 1 99 HIS C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -117.00 -57.00 -72.38 -89.56 -60.94 . . 0 "[ . 1 . 2]"
180 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 VAL N 110.00 150.00 133.14 114.91 148.13 . . 0 "[ . 1 . 2]"
181 . 1 100 VAL C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -170.00 -58.00 -124.90 -125.32 -127.29 . . 0 "[ . 1 . 2]"
182 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 PHE N 140.00 180.00 150.29 139.89 161.87 0.11 8 0 "[ . 1 . 2]"
183 . 1 101 VAL C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -159.00 -91.00 -120.19 -124.63 -128.34 . . 0 "[ . 1 . 2]"
184 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 GLY N 126.00 178.00 147.47 131.31 157.70 . . 0 "[ . 1 . 2]"
185 . 1 105 GLY C 1 106 THR N 1 106 THR CA 1 106 THR C -165.00 -97.00 -144.99 -125.42 -131.05 . . 0 "[ . 1 . 2]"
186 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 LYS N 104.00 156.00 137.75 151.35 148.52 . . 0 "[ . 1 . 2]"
187 . 1 106 THR C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -135.00 -51.00 -92.42 -95.91 -98.83 . . 0 "[ . 1 . 2]"
188 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 LEU N 88.00 148.00 111.79 121.60 117.60 . . 0 "[ . 1 . 2]"
189 . 1 107 LYS C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -127.00 -75.00 -97.65 -110.98 -81.32 . . 0 "[ . 1 . 2]"
190 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 THR N 100.00 140.00 127.07 128.19 127.34 . . 0 "[ . 1 . 2]"
191 . 1 108 LEU C 1 109 THR N 1 109 THR CA 1 109 THR C -140.00 -100.00 -119.33 -126.26 -110.28 . . 0 "[ . 1 . 2]"
192 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 VAL N 104.00 160.00 134.58 128.44 123.24 . . 0 "[ . 1 . 2]"
193 . 1 109 THR C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -147.00 -59.00 -112.00 -119.88 -93.81 . . 0 "[ . 1 . 2]"
194 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C 1 111 LEU N 91.00 151.00 129.88 109.77 144.09 . . 0 "[ . 1 . 2]"
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