NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639211 |
6gq9   |
34281 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6gq9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 208
_TA_constraint_stats_list.Viol_count 330
_TA_constraint_stats_list.Viol_total 3299.15
_TA_constraint_stats_list.Viol_max 2.62
_TA_constraint_stats_list.Viol_rms 0.21
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 0.50
_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 GLY C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -139.20 -78.40 -125.98 -134.28 -108.48 . . 0 "[ . 1 . 2]"
2 . 1 3 VAL C 1 4 PHE N 1 4 PHE CA 1 4 PHE C -152.17 -85.61 -97.37 -107.49 -85.61 0.00 16 0 "[ . 1 . 2]"
3 . 1 4 PHE C 1 5 CYS N 1 5 CYS CA 1 5 CYS C -160.72 -97.08 -119.93 -132.09 -107.76 . . 0 "[ . 1 . 2]"
4 . 1 5 CYS C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -161.89 -89.73 -119.34 -119.59 -121.19 . . 0 "[ . 1 . 2]"
5 . 1 6 TYR C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -161.94 -88.18 -120.00 -119.94 -121.12 . . 0 "[ . 1 . 2]"
6 . 1 7 GLU C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -169.65 -96.49 -118.91 -135.14 -99.88 . . 0 "[ . 1 . 2]"
7 . 1 8 ASP C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -162.44 -87.56 -112.52 -110.33 -112.86 . . 0 "[ . 1 . 2]"
8 . 1 9 GLU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C 179.12 -66.24 -149.46 -168.53 -137.74 . . 0 "[ . 1 . 2]"
9 . 1 10 ALA C 1 11 THR N 1 11 THR CA 1 11 THR C -154.03 -96.47 -115.21 -107.52 -109.73 . . 0 "[ . 1 . 2]"
10 . 1 11 THR C 1 12 SER N 1 12 SER CA 1 12 SER C -160.20 -71.60 -160.20 -160.42 -160.49 0.40 20 0 "[ . 1 . 2]"
11 . 1 12 SER C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -118.80 -62.28 -75.56 -91.74 -62.30 . . 0 "[ . 1 . 2]"
12 . 1 13 VAL C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -137.29 -53.09 -139.06 -138.50 -138.65 2.52 18 0 "[ . 1 . 2]"
13 . 1 15 PRO C 1 16 PRO N 1 16 PRO CA 1 16 PRO C -66.54 -48.14 -66.76 -67.00 -66.44 0.46 13 0 "[ . 1 . 2]"
14 . 1 16 PRO C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -78.02 -47.14 -74.41 -65.81 -70.03 0.43 5 0 "[ . 1 . 2]"
15 . 1 17 ALA C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -71.94 -56.42 -72.18 -72.20 -72.25 0.68 17 0 "[ . 1 . 2]"
16 . 1 18 ARG C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -81.60 -52.32 -61.61 -61.11 -61.26 . . 0 "[ . 1 . 2]"
17 . 1 19 LEU C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -75.75 -48.67 -61.57 -71.74 -52.41 . . 0 "[ . 1 . 2]"
18 . 1 20 PHE C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -95.41 -39.01 -69.41 -69.26 -71.56 . . 0 "[ . 1 . 2]"
19 . 1 22 SER C 1 23 PHE N 1 23 PHE CA 1 23 PHE C -99.94 -41.90 -100.19 -101.20 -93.92 1.26 20 0 "[ . 1 . 2]"
20 . 1 23 PHE C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -84.34 -48.70 -84.56 -86.22 -78.14 1.88 20 0 "[ . 1 . 2]"
21 . 1 26 ASP C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -69.37 -49.53 -69.10 -65.61 -67.88 0.59 8 0 "[ . 1 . 2]"
22 . 1 27 ALA C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -75.57 -45.81 -67.91 -64.62 -66.68 0.00 13 0 "[ . 1 . 2]"
23 . 1 28 ASP C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -114.56 -61.20 -94.60 -114.81 -79.66 0.25 17 0 "[ . 1 . 2]"
24 . 1 29 ASN C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -100.01 -38.53 -68.52 -69.25 -71.88 . . 0 "[ . 1 . 2]"
25 . 1 30 LEU C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -81.98 -38.74 -56.10 -65.81 -44.66 . . 0 "[ . 1 . 2]"
26 . 1 31 ILE C 1 32 PRO N 1 32 PRO CA 1 32 PRO C -68.28 -51.84 -68.40 -68.61 -68.11 0.33 12 0 "[ . 1 . 2]"
27 . 1 32 PRO C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -105.61 -52.89 -62.52 -72.72 -54.94 . . 0 "[ . 1 . 2]"
28 . 1 33 LYS C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -154.61 -59.05 -65.46 -110.54 -58.75 0.30 17 0 "[ . 1 . 2]"
29 . 1 40 THR C 1 41 SER N 1 41 SER CA 1 41 SER C 174.53 -129.43 -138.53 -137.26 -142.87 0.14 18 0 "[ . 1 . 2]"
30 . 1 41 SER C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -168.09 -111.45 -131.61 -145.58 -111.59 . . 0 "[ . 1 . 2]"
31 . 1 42 ALA C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -179.08 -98.76 -135.83 -134.23 -138.00 . . 0 "[ . 1 . 2]"
32 . 1 43 GLU C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -103.26 -63.54 -88.29 -84.00 -85.89 . . 0 "[ . 1 . 2]"
33 . 1 52 GLY C 1 53 THR N 1 53 THR CA 1 53 THR C -113.41 -72.93 -75.14 -86.41 -72.64 0.29 3 0 "[ . 1 . 2]"
34 . 1 53 THR C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -140.86 -89.46 -103.74 -111.45 -94.09 . . 0 "[ . 1 . 2]"
35 . 1 54 ILE C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -145.51 -97.47 -115.63 -112.08 -116.09 . . 0 "[ . 1 . 2]"
36 . 1 55 LYS C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -153.99 -92.51 -125.20 -134.15 -107.36 . . 0 "[ . 1 . 2]"
37 . 1 56 LYS C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -131.87 -80.91 -110.09 -117.48 -123.88 . . 0 "[ . 1 . 2]"
38 . 1 57 ILE C 1 58 THR N 1 58 THR CA 1 58 THR C -158.02 -60.06 -111.76 -126.66 -128.72 . . 0 "[ . 1 . 2]"
39 . 1 67 TYR C 1 68 MET N 1 68 MET CA 1 68 MET C -163.36 -96.04 -122.37 -159.75 -95.98 0.06 1 0 "[ . 1 . 2]"
40 . 1 68 MET C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -164.71 -91.07 -122.40 -111.12 -116.07 . . 0 "[ . 1 . 2]"
41 . 1 69 LYS C 1 70 HIS N 1 70 HIS CA 1 70 HIS C -162.51 -106.91 -127.02 -134.96 -118.45 . . 0 "[ . 1 . 2]"
42 . 1 70 HIS C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -164.69 -86.61 -130.27 -138.24 -123.60 . . 0 "[ . 1 . 2]"
43 . 1 71 LYS C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -120.74 -42.66 -100.65 -111.54 -84.00 . . 0 "[ . 1 . 2]"
44 . 1 73 GLU C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -178.82 -123.42 -169.10 -159.23 -166.90 0.30 4 0 "[ . 1 . 2]"
45 . 1 74 GLU C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -159.85 -93.45 -123.24 -125.59 -126.31 . . 0 "[ . 1 . 2]"
46 . 1 75 ILE C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -134.58 -56.90 -129.01 -127.11 -128.14 0.12 13 0 "[ . 1 . 2]"
47 . 1 76 ASP C 1 77 HIS N 1 77 HIS CA 1 77 HIS C -70.38 -48.50 -62.80 -66.88 -69.75 0.02 7 0 "[ . 1 . 2]"
48 . 1 77 HIS C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -92.86 -44.14 -67.24 -71.92 -62.29 . . 0 "[ . 1 . 2]"
49 . 1 80 PHE C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -148.98 -101.62 -126.74 -140.35 -108.78 . . 0 "[ . 1 . 2]"
50 . 1 81 LYS C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -155.70 -92.78 -124.15 -120.16 -122.74 . . 0 "[ . 1 . 2]"
51 . 1 82 TYR C 1 83 CYS N 1 83 CYS CA 1 83 CYS C -137.65 -98.49 -124.79 -135.58 -109.39 . . 0 "[ . 1 . 2]"
52 . 1 83 CYS C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -168.93 -120.97 -132.50 -140.31 -120.70 0.27 1 0 "[ . 1 . 2]"
53 . 1 84 TYR C 1 85 SER N 1 85 SER CA 1 85 SER C -163.80 -91.72 -138.33 -151.93 -119.05 . . 0 "[ . 1 . 2]"
54 . 1 93 GLY C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -144.20 -69.12 -95.47 -115.47 -67.79 1.33 18 0 "[ . 1 . 2]"
55 . 1 97 GLU C 1 98 LYS N 1 98 LYS CA 1 98 LYS C 147.46 -69.18 -157.77 -177.73 -142.44 . . 0 "[ . 1 . 2]"
56 . 1 98 LYS C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -152.09 -85.97 -134.76 -146.61 -124.81 . . 0 "[ . 1 . 2]"
57 . 1 99 ILE C 1 100 SER N 1 100 SER CA 1 100 SER C -164.80 -68.36 -121.45 -116.97 -118.27 . . 0 "[ . 1 . 2]"
58 . 1 100 SER C 1 101 TYR N 1 101 TYR CA 1 101 TYR C -151.01 -89.53 -130.27 -125.76 -127.24 . . 0 "[ . 1 . 2]"
59 . 1 101 TYR C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -152.96 -82.56 -112.50 -114.62 -117.40 . . 0 "[ . 1 . 2]"
60 . 1 102 GLU C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -131.53 -107.81 -122.47 -131.81 -108.32 0.28 18 0 "[ . 1 . 2]"
61 . 1 103 ILE C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -135.61 -108.69 -127.23 -134.86 -117.54 . . 0 "[ . 1 . 2]"
62 . 1 104 LYS C 1 105 MET N 1 105 MET CA 1 105 MET C -158.84 -77.76 -119.08 -120.56 -122.29 . . 0 "[ . 1 . 2]"
63 . 1 105 MET C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -176.74 -118.26 -144.60 -145.27 -145.72 . . 0 "[ . 1 . 2]"
64 . 1 106 ALA C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -107.07 -52.67 -92.99 -97.97 -101.33 0.07 18 0 "[ . 1 . 2]"
65 . 1 107 ALA C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -148.91 -26.83 -95.84 -141.76 -65.03 . . 0 "[ . 1 . 2]"
66 . 1 113 GLY C 1 114 SER N 1 114 SER CA 1 114 SER C -170.65 -81.61 -135.95 -155.13 -106.14 . . 0 "[ . 1 . 2]"
67 . 1 114 SER C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -144.24 -97.28 -116.38 -128.61 -107.23 . . 0 "[ . 1 . 2]"
68 . 1 115 ILE C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -129.42 -91.62 -107.92 -117.21 -98.95 . . 0 "[ . 1 . 2]"
69 . 1 116 LEU C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -152.60 -85.32 -127.88 -135.34 -119.01 . . 0 "[ . 1 . 2]"
70 . 1 117 LYS C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -139.05 -106.69 -123.84 -132.64 -115.00 . . 0 "[ . 1 . 2]"
71 . 1 118 ILE C 1 119 THR N 1 119 THR CA 1 119 THR C -132.94 -94.34 -122.38 -133.10 -113.81 0.16 12 0 "[ . 1 . 2]"
72 . 1 119 THR C 1 120 SER N 1 120 SER CA 1 120 SER C -157.04 -86.68 -123.37 -130.58 -113.88 . . 0 "[ . 1 . 2]"
73 . 1 120 SER C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -168.13 -83.13 -137.24 -145.67 -126.02 . . 0 "[ . 1 . 2]"
74 . 1 121 LYS C 1 122 TYR N 1 122 TYR CA 1 122 TYR C -142.47 -81.31 -119.59 -133.32 -105.27 . . 0 "[ . 1 . 2]"
75 . 1 122 TYR C 1 123 HIS N 1 123 HIS CA 1 123 HIS C -120.56 -80.64 -85.51 -84.64 -84.70 0.76 7 0 "[ . 1 . 2]"
76 . 1 123 HIS C 1 124 THR N 1 124 THR CA 1 124 THR C -164.76 -71.44 -107.25 -100.93 -102.58 . . 0 "[ . 1 . 2]"
77 . 1 130 ILE C 1 131 ASN N 1 131 ASN CA 1 131 ASN C -144.50 -37.14 -74.59 -68.69 -72.88 . . 0 "[ . 1 . 2]"
78 . 1 131 ASN C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -68.99 -49.03 -61.68 -67.80 -53.96 . . 0 "[ . 1 . 2]"
79 . 1 132 GLU C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -72.62 -52.86 -63.44 -66.87 -55.28 . . 0 "[ . 1 . 2]"
80 . 1 133 GLU C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -79.81 -49.37 -61.43 -67.89 -56.87 . . 0 "[ . 1 . 2]"
81 . 1 134 GLU C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -87.09 -51.37 -77.71 -87.90 -69.49 0.81 5 0 "[ . 1 . 2]"
82 . 1 135 ILE C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -70.82 -55.82 -56.18 -59.41 -55.49 0.33 19 0 "[ . 1 . 2]"
83 . 1 136 LYS C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -70.72 -55.12 -55.84 -54.95 -55.04 0.40 2 0 "[ . 1 . 2]"
84 . 1 137 ALA C 1 138 GLY N 1 138 GLY CA 1 138 GLY C -79.70 -55.18 -57.74 -63.11 -55.06 0.12 8 0 "[ . 1 . 2]"
85 . 1 138 GLY C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -76.32 -51.40 -61.74 -62.05 -62.98 . . 0 "[ . 1 . 2]"
86 . 1 139 LYS C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -77.27 -53.27 -59.33 -66.39 -53.50 . . 0 "[ . 1 . 2]"
87 . 1 140 GLU C 1 141 LYS N 1 141 LYS CA 1 141 LYS C -74.43 -57.47 -59.82 -59.14 -59.35 . . 0 "[ . 1 . 2]"
88 . 1 141 LYS C 1 142 ALA N 1 142 ALA CA 1 142 ALA C -79.78 -49.10 -64.68 -71.00 -57.62 . . 0 "[ . 1 . 2]"
89 . 1 142 ALA C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -73.56 -50.12 -61.04 -58.27 -59.94 . . 0 "[ . 1 . 2]"
90 . 1 143 ALA C 1 144 GLY N 1 144 GLY CA 1 144 GLY C -71.31 -56.75 -59.16 -65.45 -56.62 0.13 18 0 "[ . 1 . 2]"
91 . 1 144 GLY C 1 145 LEU N 1 145 LEU CA 1 145 LEU C -75.45 -54.37 -61.92 -68.26 -55.64 . . 0 "[ . 1 . 2]"
92 . 1 145 LEU C 1 146 PHE N 1 146 PHE CA 1 146 PHE C -70.57 -54.93 -62.57 -66.05 -57.22 . . 0 "[ . 1 . 2]"
93 . 1 146 PHE C 1 147 LYS N 1 147 LYS CA 1 147 LYS C -70.00 -56.92 -62.81 -68.00 -56.85 0.07 19 0 "[ . 1 . 2]"
94 . 1 147 LYS C 1 148 ALA N 1 148 ALA CA 1 148 ALA C -79.05 -57.17 -67.17 -72.74 -59.27 . . 0 "[ . 1 . 2]"
95 . 1 148 ALA C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -74.38 -57.50 -64.24 -67.32 -57.53 . . 0 "[ . 1 . 2]"
96 . 1 149 VAL C 1 150 GLU N 1 150 GLU CA 1 150 GLU C -73.15 -44.79 -59.27 -61.97 -63.54 . . 0 "[ . 1 . 2]"
97 . 1 150 GLU C 1 151 ALA N 1 151 ALA CA 1 151 ALA C -72.81 -49.49 -63.81 -69.89 -59.40 . . 0 "[ . 1 . 2]"
98 . 1 151 ALA C 1 152 TYR N 1 152 TYR CA 1 152 TYR C -74.31 -59.67 -61.66 -61.15 -61.15 0.22 19 0 "[ . 1 . 2]"
99 . 1 152 TYR C 1 153 LEU N 1 153 LEU CA 1 153 LEU C -79.04 -52.60 -59.67 -58.60 -59.02 . . 0 "[ . 1 . 2]"
100 . 1 153 LEU C 1 154 LEU N 1 154 LEU CA 1 154 LEU C -79.93 -56.17 -67.92 -80.10 -59.95 0.17 9 0 "[ . 1 . 2]"
101 . 1 154 LEU C 1 155 ALA N 1 155 ALA CA 1 155 ALA C -102.40 -54.36 -66.16 -62.14 -65.01 . . 0 "[ . 1 . 2]"
102 . 1 156 HIS C 1 157 PRO N 1 157 PRO CA 1 157 PRO C -75.80 -40.84 -70.35 -70.22 -70.30 . . 0 "[ . 1 . 2]"
103 . 1 157 PRO C 1 158 ASP N 1 158 ASP CA 1 158 ASP C -106.53 -57.05 -80.65 -75.30 -88.84 0.41 13 0 "[ . 1 . 2]"
104 . 1 158 ASP C 1 159 ALA N 1 159 ALA CA 1 159 ALA C -118.92 -41.12 -68.62 -107.46 -46.05 . . 0 "[ . 1 . 2]"
105 . 1 3 VAL N 1 3 VAL CA 1 3 VAL C 1 4 PHE N 119.21 150.13 136.63 133.63 132.68 . . 0 "[ . 1 . 2]"
106 . 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 CYS N 101.94 152.42 136.53 132.09 130.52 0.13 11 0 "[ . 1 . 2]"
107 . 1 5 CYS N 1 5 CYS CA 1 5 CYS C 1 6 TYR N 102.42 174.54 123.25 111.73 129.74 . . 0 "[ . 1 . 2]"
108 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 GLU N 112.24 151.72 145.47 138.48 152.07 0.35 17 0 "[ . 1 . 2]"
109 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 ASP N 127.13 169.97 144.10 142.73 139.74 . . 0 "[ . 1 . 2]"
110 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 GLU N 117.28 163.16 140.79 124.70 156.51 . . 0 "[ . 1 . 2]"
111 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ALA N 107.23 169.27 134.50 119.24 143.10 . . 0 "[ . 1 . 2]"
112 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 THR N 108.92 171.16 123.37 123.31 123.28 . . 0 "[ . 1 . 2]"
113 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 SER N 113.60 165.00 134.90 126.69 150.75 . . 0 "[ . 1 . 2]"
114 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 VAL N 123.06 170.90 144.13 135.47 152.30 . . 0 "[ . 1 . 2]"
115 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 ILE N 92.68 159.36 91.01 91.50 91.38 2.62 18 0 "[ . 1 . 2]"
116 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 PRO N 101.59 -176.09 144.42 142.29 149.40 . . 0 "[ . 1 . 2]"
117 . 1 16 PRO N 1 16 PRO CA 1 16 PRO C 1 17 ALA N -46.27 -21.11 -32.67 -43.13 -27.31 . . 0 "[ . 1 . 2]"
118 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 ARG N -55.94 -27.86 -53.03 -53.99 -54.23 0.56 10 0 "[ . 1 . 2]"
119 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 LEU N -51.98 -30.74 -43.09 -50.32 -31.37 . . 0 "[ . 1 . 2]"
120 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 PHE N -51.91 -31.63 -44.65 -42.97 -45.13 . . 0 "[ . 1 . 2]"
121 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 LYS N -54.77 -24.89 -49.98 -55.80 -33.19 1.03 2 0 "[ . 1 . 2]"
122 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 SER N -65.60 8.36 -39.11 -13.73 -22.23 . . 0 "[ . 1 . 2]"
123 . 1 23 PHE N 1 23 PHE CA 1 23 PHE C 1 24 VAL N -50.38 -1.82 -49.86 -52.50 -44.22 2.12 20 0 "[ . 1 . 2]"
124 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LEU N -52.17 -18.93 -51.07 -40.79 -49.81 0.81 8 0 "[ . 1 . 2]"
125 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ASP N -51.74 -25.50 -40.43 -39.62 -41.81 0.50 8 0 "[ . 1 . 2]"
126 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 ASN N -48.10 -14.26 -29.54 -42.17 -14.76 . . 0 "[ . 1 . 2]"
127 . 1 29 ASN N 1 29 ASN CA 1 29 ASN C 1 30 LEU N -73.19 26.61 -38.78 -51.69 -31.38 . . 0 "[ . 1 . 2]"
128 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ILE N -63.80 -18.52 -32.52 -42.32 -21.74 . . 0 "[ . 1 . 2]"
129 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 PRO N -61.45 -25.97 -58.51 -56.09 -56.53 0.16 12 0 "[ . 1 . 2]"
130 . 1 32 PRO N 1 32 PRO CA 1 32 PRO C 1 33 LYS N -50.09 -10.69 -32.57 -33.81 -34.68 . . 0 "[ . 1 . 2]"
131 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 VAL N -64.55 3.37 -40.64 -42.06 -42.80 . . 0 "[ . 1 . 2]"
132 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ALA N -52.07 30.25 -31.89 -34.70 -39.20 . . 0 "[ . 1 . 2]"
133 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 ALA N 122.33 -164.59 150.29 146.78 144.94 . . 0 "[ . 1 . 2]"
134 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLU N 125.64 170.40 147.16 138.52 155.54 . . 0 "[ . 1 . 2]"
135 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ASN N 103.63 178.19 152.14 142.45 138.91 . . 0 "[ . 1 . 2]"
136 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 LEU N 107.38 147.78 111.51 107.36 118.49 0.02 14 0 "[ . 1 . 2]"
137 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ILE N 116.52 141.20 138.69 140.78 140.21 0.05 2 0 "[ . 1 . 2]"
138 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LYS N 108.91 137.95 133.57 126.82 118.49 1.49 16 0 "[ . 1 . 2]"
139 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 LYS N 122.20 162.04 142.01 130.70 156.53 . . 0 "[ . 1 . 2]"
140 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 ILE N 100.52 147.40 136.13 136.30 135.41 . . 0 "[ . 1 . 2]"
141 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 THR N 110.93 138.09 136.23 134.23 132.27 0.05 13 0 "[ . 1 . 2]"
142 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 PHE N 98.87 151.83 143.87 124.02 151.90 0.07 18 0 "[ . 1 . 2]"
143 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 LYS N 120.06 178.90 146.70 138.95 138.47 . . 0 "[ . 1 . 2]"
144 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 HIS N 111.39 168.27 140.02 144.13 141.32 . . 0 "[ . 1 . 2]"
145 . 1 70 HIS N 1 70 HIS CA 1 70 HIS C 1 71 LYS N 124.75 174.19 136.03 126.67 153.02 . . 0 "[ . 1 . 2]"
146 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 VAL N 93.88 171.56 139.46 140.75 137.06 . . 0 "[ . 1 . 2]"
147 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 GLU N 119.37 147.61 131.89 132.30 130.62 . . 0 "[ . 1 . 2]"
148 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 ILE N 129.66 161.98 142.96 137.26 150.98 . . 0 "[ . 1 . 2]"
149 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 ASP N 106.89 146.65 125.46 123.17 120.65 . . 0 "[ . 1 . 2]"
150 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 HIS N 67.74 -178.34 87.30 72.59 109.14 . . 0 "[ . 1 . 2]"
151 . 1 77 HIS N 1 77 HIS CA 1 77 HIS C 1 78 ALA N -56.81 -5.01 -36.68 -41.24 -26.46 . . 0 "[ . 1 . 2]"
152 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 ASN N -51.46 -7.30 -35.48 -40.43 -42.72 0.13 7 0 "[ . 1 . 2]"
153 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 TYR N 117.74 160.02 130.33 122.21 141.45 . . 0 "[ . 1 . 2]"
154 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 CYS N 114.83 148.91 127.14 114.85 137.28 . . 0 "[ . 1 . 2]"
155 . 1 83 CYS N 1 83 CYS CA 1 83 CYS C 1 84 TYR N 104.97 156.93 119.31 123.38 122.49 . . 0 "[ . 1 . 2]"
156 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 SER N 129.06 -173.90 158.46 152.41 139.53 . . 0 "[ . 1 . 2]"
157 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 ILE N 106.07 174.99 162.65 158.71 150.24 0.24 5 0 "[ . 1 . 2]"
158 . 1 94 HIS N 1 94 HIS CA 1 94 HIS C 1 95 THR N 74.25 -174.07 121.17 133.20 130.10 0.42 18 0 "[ . 1 . 2]"
159 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 ILE N 133.59 170.51 157.27 168.18 162.49 . . 0 "[ . 1 . 2]"
160 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 SER N 113.27 152.11 116.61 112.91 126.96 0.36 8 0 "[ . 1 . 2]"
161 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 TYR N 106.01 173.05 151.68 152.05 150.89 . . 0 "[ . 1 . 2]"
162 . 1 101 TYR N 1 101 TYR CA 1 101 TYR C 1 102 GLU N 120.77 167.77 131.91 120.48 143.66 0.29 12 0 "[ . 1 . 2]"
163 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 ILE N 96.02 143.62 139.97 129.09 143.73 0.11 19 0 "[ . 1 . 2]"
164 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 LYS N 118.82 141.74 124.04 127.56 126.53 0.46 12 0 "[ . 1 . 2]"
165 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 MET N 109.27 155.47 136.18 126.39 155.11 . . 0 "[ . 1 . 2]"
166 . 1 105 MET N 1 105 MET CA 1 105 MET C 1 106 ALA N 116.81 163.25 143.11 130.77 151.06 . . 0 "[ . 1 . 2]"
167 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 ALA N 127.69 -179.11 154.26 154.26 153.68 . . 0 "[ . 1 . 2]"
168 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 ALA N 99.20 151.48 137.69 139.51 139.37 . . 0 "[ . 1 . 2]"
169 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 PRO N 102.26 178.78 136.43 103.70 168.66 . . 0 "[ . 1 . 2]"
170 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 ILE N 119.01 -178.11 152.90 163.63 157.96 . . 0 "[ . 1 . 2]"
171 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 LEU N 103.26 151.50 132.86 127.37 137.87 . . 0 "[ . 1 . 2]"
172 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 LYS N 96.32 160.20 136.07 130.29 140.71 . . 0 "[ . 1 . 2]"
173 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 ILE N 107.79 153.19 137.61 141.38 139.66 . . 0 "[ . 1 . 2]"
174 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 THR N 110.66 140.78 132.83 122.71 140.97 0.19 16 0 "[ . 1 . 2]"
175 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 SER N 104.49 142.45 140.52 131.24 142.69 0.24 6 0 "[ . 1 . 2]"
176 . 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 LYS N 96.89 176.37 153.82 150.58 148.81 . . 0 "[ . 1 . 2]"
177 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 TYR N 104.16 179.12 122.02 126.14 124.97 . . 0 "[ . 1 . 2]"
178 . 1 122 TYR N 1 122 TYR CA 1 122 TYR C 1 123 HIS N 104.65 147.53 116.01 104.52 132.92 0.13 17 0 "[ . 1 . 2]"
179 . 1 123 HIS N 1 123 HIS CA 1 123 HIS C 1 124 THR N 114.40 151.40 122.15 121.25 116.97 1.02 3 0 "[ . 1 . 2]"
180 . 1 124 THR N 1 124 THR CA 1 124 THR C 1 125 LYS N 105.96 -171.60 144.29 147.87 146.82 . . 0 "[ . 1 . 2]"
181 . 1 131 ASN N 1 131 ASN CA 1 131 ASN C 1 132 GLU N 87.06 177.66 136.13 118.45 153.23 . . 0 "[ . 1 . 2]"
182 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 GLU N -46.12 -21.04 -33.90 -31.57 -32.63 . . 0 "[ . 1 . 2]"
183 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 GLU N -47.07 -27.59 -41.25 -42.39 -43.82 . . 0 "[ . 1 . 2]"
184 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 ILE N -50.25 -25.33 -37.58 -43.16 -43.56 0.41 9 0 "[ . 1 . 2]"
185 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 LYS N -54.60 -29.48 -36.88 -52.34 -29.19 0.29 12 0 "[ . 1 . 2]"
186 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 ALA N -55.65 -24.69 -41.59 -46.66 -33.90 . . 0 "[ . 1 . 2]"
187 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 GLY N -49.34 -31.70 -45.15 -45.55 -46.17 0.11 7 0 "[ . 1 . 2]"
188 . 1 138 GLY N 1 138 GLY CA 1 138 GLY C 1 139 LYS N -52.21 -30.13 -37.33 -40.81 -30.21 . . 0 "[ . 1 . 2]"
189 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 GLU N -54.82 -31.98 -42.44 -42.15 -42.60 . . 0 "[ . 1 . 2]"
190 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 LYS N -53.99 -34.51 -43.18 -43.90 -44.80 . . 0 "[ . 1 . 2]"
191 . 1 141 LYS N 1 141 LYS CA 1 141 LYS C 1 142 ALA N -45.85 -34.09 -44.16 -43.71 -44.76 0.13 3 0 "[ . 1 . 2]"
192 . 1 142 ALA N 1 142 ALA CA 1 142 ALA C 1 143 ALA N -58.99 -20.11 -39.17 -44.52 -34.91 . . 0 "[ . 1 . 2]"
193 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 GLY N -56.63 -30.15 -43.78 -47.80 -40.84 . . 0 "[ . 1 . 2]"
194 . 1 144 GLY N 1 144 GLY CA 1 144 GLY C 1 145 LEU N -52.43 -24.55 -44.80 -39.33 -41.53 . . 0 "[ . 1 . 2]"
195 . 1 145 LEU N 1 145 LEU CA 1 145 LEU C 1 146 PHE N -51.75 -37.95 -39.27 -41.99 -37.92 0.03 6 0 "[ . 1 . 2]"
196 . 1 146 PHE N 1 146 PHE CA 1 146 PHE C 1 147 LYS N -57.24 -30.32 -42.98 -46.35 -39.48 . . 0 "[ . 1 . 2]"
197 . 1 147 LYS N 1 147 LYS CA 1 147 LYS C 1 148 ALA N -52.12 -21.28 -38.16 -39.22 -39.78 . . 0 "[ . 1 . 2]"
198 . 1 148 ALA N 1 148 ALA CA 1 148 ALA C 1 149 VAL N -52.16 -25.96 -49.76 -48.74 -49.25 . . 0 "[ . 1 . 2]"
199 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 GLU N -49.09 -34.65 -43.14 -50.08 -39.85 0.99 19 0 "[ . 1 . 2]"
200 . 1 150 GLU N 1 150 GLU CA 1 150 GLU C 1 151 ALA N -61.70 -35.94 -40.17 -44.39 -34.02 1.92 19 0 "[ . 1 . 2]"
201 . 1 151 ALA N 1 151 ALA CA 1 151 ALA C 1 152 TYR N -45.67 -34.23 -39.92 -37.28 -39.13 . . 0 "[ . 1 . 2]"
202 . 1 152 TYR N 1 152 TYR CA 1 152 TYR C 1 153 LEU N -60.11 -28.71 -46.10 -53.40 -38.59 . . 0 "[ . 1 . 2]"
203 . 1 153 LEU N 1 153 LEU CA 1 153 LEU C 1 154 LEU N -53.03 -28.87 -38.76 -46.98 -29.60 . . 0 "[ . 1 . 2]"
204 . 1 154 LEU N 1 154 LEU CA 1 154 LEU C 1 155 ALA N -46.71 -11.91 -39.64 -47.14 -24.85 0.43 2 0 "[ . 1 . 2]"
205 . 1 155 ALA N 1 155 ALA CA 1 155 ALA C 1 156 HIS N -58.21 19.67 -26.46 -34.58 -15.95 . . 0 "[ . 1 . 2]"
206 . 1 157 PRO N 1 157 PRO CA 1 157 PRO C 1 158 ASP N -46.56 1.36 -9.69 -4.11 -4.98 . . 0 "[ . 1 . 2]"
207 . 1 158 ASP N 1 158 ASP CA 1 158 ASP C 1 159 ALA N -36.42 17.90 -15.58 -36.48 12.46 0.06 15 0 "[ . 1 . 2]"
208 . 1 159 ALA N 1 159 ALA CA 1 159 ALA C 1 160 TYR N 131.33 171.25 144.17 149.94 148.02 . . 0 "[ . 1 . 2]"
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