NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644796 |
6q44   |
27146 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6q44
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 227
_TA_constraint_stats_list.Viol_count 593
_TA_constraint_stats_list.Viol_total 6560.25
_TA_constraint_stats_list.Viol_max 4.78
_TA_constraint_stats_list.Viol_rms 0.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_TA_constraint_stats_list.Viol_average_violations_only 0.55
_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 22 HIS C 1 23 TRP N 1 23 TRP CA 1 23 TRP C -129.02 -39.46 -111.58 -130.59 -78.13 1.57 18 0 "[ . 1 . 2]"
2 . 1 24 LEU C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -68.34 -46.18 -67.03 -65.80 -67.60 2.84 3 0 "[ . 1 . 2]"
3 . 1 25 GLU C 1 26 PRO N 1 26 PRO CA 1 26 PRO C -66.01 -51.15 -65.63 -68.67 -59.88 2.66 2 0 "[ . 1 . 2]"
4 . 1 26 PRO C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -88.32 -49.56 -54.42 -53.63 -55.44 0.58 18 0 "[ . 1 . 2]"
5 . 1 27 VAL C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -97.69 -43.19 -84.52 -99.22 -59.24 1.53 18 0 "[ . 1 . 2]"
6 . 1 28 LEU C 1 29 CYS N 1 29 CYS CA 1 29 CYS C -133.78 -23.36 -110.27 -109.36 -114.62 . . 0 "[ . 1 . 2]"
7 . 1 29 CYS C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -143.19 -56.27 -76.92 -117.80 -59.92 . . 0 "[ . 1 . 2]"
8 . 1 30 GLU C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -146.76 -59.66 -81.91 -77.36 -85.90 . . 0 "[ . 1 . 2]"
9 . 1 32 GLY C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -127.80 -27.68 -62.55 -60.03 -60.51 . . 0 "[ . 1 . 2]"
10 . 1 34 GLY C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -160.51 -46.77 -76.90 -124.08 -60.13 . . 0 "[ . 1 . 2]"
11 . 1 37 TYR C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -147.64 -67.24 -139.41 -130.01 -135.87 0.48 6 0 "[ . 1 . 2]"
12 . 1 38 LYS C 1 39 VAL N 1 39 VAL CA 1 39 VAL C 178.87 -92.25 -132.33 -147.62 -120.04 . . 0 "[ . 1 . 2]"
13 . 1 40 ASP C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -171.78 -98.40 -151.52 -147.05 -148.98 . . 0 "[ . 1 . 2]"
14 . 1 42 VAL C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -175.10 -106.14 -131.12 -124.57 -128.59 . . 0 "[ . 1 . 2]"
15 . 1 43 LEU C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -163.44 -62.62 -115.65 -118.38 -119.21 . . 0 "[ . 1 . 2]"
16 . 1 44 LYS C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -165.17 -104.95 -106.21 -104.62 -104.72 1.40 19 0 "[ . 1 . 2]"
17 . 1 45 VAL C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -121.62 -73.62 -112.78 -121.77 -99.74 0.15 2 0 "[ . 1 . 2]"
18 . 1 46 LEU C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -176.09 -137.49 -137.97 -136.81 -137.04 0.89 2 0 "[ . 1 . 2]"
19 . 1 47 ARG C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -158.47 -85.17 -138.38 -150.20 -122.85 . . 0 "[ . 1 . 2]"
20 . 1 48 ILE C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -119.91 -35.39 -119.41 -122.60 -113.78 2.69 17 0 "[ . 1 . 2]"
21 . 1 49 TYR C 1 50 PRO N 1 50 PRO CA 1 50 PRO C -88.06 -49.30 -62.47 -79.71 -50.35 . . 0 "[ . 1 . 2]"
22 . 1 50 PRO C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -141.61 -69.21 -120.49 -142.21 -90.05 0.60 17 0 "[ . 1 . 2]"
23 . 1 51 ARG C 1 52 SER N 1 52 SER CA 1 52 SER C -70.71 -52.31 -65.82 -66.39 -68.86 0.43 10 0 "[ . 1 . 2]"
24 . 1 52 SER C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -127.76 -62.20 -72.46 -115.21 -61.20 1.00 1 0 "[ . 1 . 2]"
25 . 1 54 THR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -130.40 -67.12 -95.59 -114.76 -74.71 . . 0 "[ . 1 . 2]"
26 . 1 57 SER C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -154.11 -98.37 -148.87 -146.96 -149.07 0.61 18 0 "[ . 1 . 2]"
27 . 1 59 PRO C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -155.25 -99.19 -137.77 -149.97 -127.22 . . 0 "[ . 1 . 2]"
28 . 1 60 LEU C 1 61 CYS N 1 61 CYS CA 1 61 CYS C -142.58 -74.70 -96.59 -101.76 -103.63 . . 0 "[ . 1 . 2]"
29 . 1 61 CYS C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -145.79 -92.91 -117.80 -110.67 -116.26 . . 0 "[ . 1 . 2]"
30 . 1 62 LEU C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -158.97 -112.07 -123.73 -138.87 -111.24 0.83 9 0 "[ . 1 . 2]"
31 . 1 65 ALA C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -132.66 -57.56 -110.34 -132.04 -77.69 . . 0 "[ . 1 . 2]"
32 . 1 66 ASN C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -166.62 -84.68 -136.24 -150.16 -152.60 . . 0 "[ . 1 . 2]"
33 . 1 67 TYR C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -158.94 -108.26 -125.28 -135.30 -115.58 . . 0 "[ . 1 . 2]"
34 . 1 69 ILE C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -153.69 -53.97 -88.31 -94.14 -98.61 . . 0 "[ . 1 . 2]"
35 . 1 70 LEU C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -166.19 -98.01 -151.03 -143.66 -146.33 . . 0 "[ . 1 . 2]"
36 . 1 71 ALA C 1 72 PHE N 1 72 PHE CA 1 72 PHE C 176.98 -114.50 -141.53 -135.64 -136.37 . . 0 "[ . 1 . 2]"
37 . 1 72 PHE C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -134.09 -86.79 -96.33 -103.15 -90.66 . . 0 "[ . 1 . 2]"
38 . 1 73 ALA C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -109.71 -56.95 -73.52 -77.91 -78.78 . . 0 "[ . 1 . 2]"
39 . 1 74 ASN C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -67.68 -53.40 -53.50 -57.94 -52.04 1.36 20 0 "[ . 1 . 2]"
40 . 1 75 TYR C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -78.00 -46.72 -60.27 -61.88 -59.58 . . 0 "[ . 1 . 2]"
41 . 1 76 LYS C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -71.04 -56.50 -71.56 -71.16 -71.32 1.15 20 0 "[ . 1 . 2]"
42 . 1 77 ALA C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -73.17 -57.51 -64.13 -70.09 -60.05 . . 0 "[ . 1 . 2]"
43 . 1 78 ILE C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -69.43 -48.67 -60.88 -60.05 -60.31 . . 0 "[ . 1 . 2]"
44 . 1 79 ALA C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -71.68 -55.86 -58.48 -63.59 -55.17 0.69 3 0 "[ . 1 . 2]"
45 . 1 80 ALA C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -72.90 -55.70 -60.42 -65.42 -55.36 0.34 4 0 "[ . 1 . 2]"
46 . 1 81 PHE C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -69.78 -51.62 -65.34 -60.57 -61.81 1.47 19 0 "[ . 1 . 2]"
47 . 1 82 GLU C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -73.57 -55.49 -72.23 -74.25 -65.60 0.68 9 0 "[ . 1 . 2]"
48 . 1 83 ARG C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -76.31 -55.97 -70.45 -70.69 -76.31 1.01 13 0 "[ . 1 . 2]"
49 . 1 84 LYS C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -110.73 -74.47 -102.19 -105.16 -108.98 0.72 4 0 "[ . 1 . 2]"
50 . 1 85 GLU C 1 86 ARG N 1 86 ARG CA 1 86 ARG C 50.62 72.86 57.65 56.26 54.48 1.11 13 0 "[ . 1 . 2]"
51 . 1 86 ARG C 1 87 ARG N 1 87 ARG CA 1 87 ARG C -174.19 -93.45 -146.91 -166.70 -134.41 . . 0 "[ . 1 . 2]"
52 . 1 87 ARG C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -154.02 -28.26 -65.92 -65.87 -69.27 . . 0 "[ . 1 . 2]"
53 . 1 88 ARG C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -89.65 -39.81 -84.11 -78.03 -79.56 0.69 9 0 "[ . 1 . 2]"
54 . 1 89 VAL C 1 90 THR N 1 90 THR CA 1 90 THR C -128.93 -59.17 -67.21 -105.45 -58.67 0.50 4 0 "[ . 1 . 2]"
55 . 1 92 ASN C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -80.37 -57.93 -67.14 -65.94 -66.51 0.58 16 0 "[ . 1 . 2]"
56 . 1 93 LEU C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -70.05 -54.81 -62.90 -62.82 -66.75 0.09 1 0 "[ . 1 . 2]"
57 . 1 95 ASN C 1 96 SER N 1 96 SER CA 1 96 SER C -124.53 -60.31 -70.09 -61.20 -63.93 0.36 2 0 "[ . 1 . 2]"
58 . 1 97 GLU C 1 98 ILE N 1 98 ILE CA 1 98 ILE C -169.47 -112.31 -133.93 -132.94 -133.32 . . 0 "[ . 1 . 2]"
59 . 1 98 ILE C 1 99 MET N 1 99 MET CA 1 99 MET C -148.88 -91.84 -119.58 -138.53 -110.49 . . 0 "[ . 1 . 2]"
60 . 1 99 MET C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -148.50 -74.90 -90.88 -79.21 -82.57 . . 0 "[ . 1 . 2]"
61 . 1 101 HIS C 1 102 SER N 1 102 SER CA 1 102 SER C -165.52 -99.60 -144.30 -153.81 -132.54 . . 0 "[ . 1 . 2]"
62 . 1 102 SER C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -161.22 -79.90 -151.57 -157.50 -160.02 . . 0 "[ . 1 . 2]"
63 . 1 103 PHE C 1 104 THR N 1 104 THR CA 1 104 THR C -147.52 -101.50 -123.81 -132.59 -113.55 . . 0 "[ . 1 . 2]"
64 . 1 104 THR C 1 105 ILE N 1 105 ILE CA 1 105 ILE C -129.42 -61.30 -79.13 -75.68 -78.95 . . 0 "[ . 1 . 2]"
65 . 1 105 ILE C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -176.58 -73.42 -141.23 -136.20 -138.56 . . 0 "[ . 1 . 2]"
66 . 1 106 ARG C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -151.41 -75.09 -95.39 -78.26 -82.54 0.26 2 0 "[ . 1 . 2]"
67 . 1 107 PHE C 1 108 TYR N 1 108 TYR CA 1 108 TYR C -140.05 -103.57 -133.57 -140.21 -124.32 0.16 2 0 "[ . 1 . 2]"
68 . 1 108 TYR C 1 109 ASN N 1 109 ASN CA 1 109 ASN C -124.43 -61.13 -107.57 -107.36 -109.37 0.70 15 0 "[ . 1 . 2]"
69 . 1 109 ASN C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -73.68 -47.98 -58.88 -61.28 -52.88 . . 0 "[ . 1 . 2]"
70 . 1 110 ASP C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -71.86 -55.80 -71.13 -72.52 -69.86 0.66 9 0 "[ . 1 . 2]"
71 . 1 111 ASP C 1 112 GLN N 1 112 GLN CA 1 112 GLN C -78.39 -52.21 -62.81 -60.47 -60.83 . . 0 "[ . 1 . 2]"
72 . 1 112 GLN C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -74.68 -54.68 -67.11 -72.34 -61.88 . . 0 "[ . 1 . 2]"
73 . 1 113 VAL C 1 114 GLN N 1 114 GLN CA 1 114 GLN C -73.84 -49.68 -60.47 -59.75 -59.95 . . 0 "[ . 1 . 2]"
74 . 1 114 GLN C 1 115 GLY N 1 115 GLY CA 1 115 GLY C -81.93 -55.43 -72.65 -78.21 -66.87 . . 0 "[ . 1 . 2]"
75 . 1 115 GLY C 1 116 PHE N 1 116 PHE CA 1 116 PHE C -110.61 -44.69 -61.04 -59.99 -60.03 . . 0 "[ . 1 . 2]"
76 . 1 116 PHE C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -141.39 -73.53 -117.81 -115.34 -116.70 . . 0 "[ . 1 . 2]"
77 . 1 117 PHE C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -111.36 -49.58 -59.60 -73.03 -50.93 . . 0 "[ . 1 . 2]"
78 . 1 119 GLY C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -112.70 -66.36 -73.66 -71.38 -72.09 0.87 13 0 "[ . 1 . 2]"
79 . 1 120 LEU C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -165.31 -62.97 -103.28 -120.28 -81.99 . . 0 "[ . 1 . 2]"
80 . 1 121 LYS C 1 122 PHE N 1 122 PHE CA 1 122 PHE C -105.65 -72.27 -105.54 -107.01 -99.97 1.36 2 0 "[ . 1 . 2]"
81 . 1 122 PHE C 1 123 LYS N 1 123 LYS CA 1 123 LYS C -155.07 -41.69 -97.83 -121.34 -75.87 . . 0 "[ . 1 . 2]"
82 . 1 123 LYS C 1 124 GLN N 1 124 GLN CA 1 124 GLN C -107.78 -61.74 -105.52 -108.64 -99.45 0.86 16 0 "[ . 1 . 2]"
83 . 1 126 ALA C 1 127 SER N 1 127 SER CA 1 127 SER C -147.66 -43.26 -134.76 -148.05 -93.55 0.39 3 0 "[ . 1 . 2]"
84 . 1 128 LEU C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -131.62 -49.72 -103.33 -133.47 -69.95 1.85 11 0 "[ . 1 . 2]"
85 . 1 129 PHE C 1 130 PRO N 1 130 PRO CA 1 130 PRO C -85.07 -50.69 -63.63 -67.85 -69.19 . . 0 "[ . 1 . 2]"
86 . 1 131 GLY C 1 132 TYR N 1 132 TYR CA 1 132 TYR C -134.01 -43.41 -125.78 -119.69 -119.77 0.52 4 0 "[ . 1 . 2]"
87 . 1 132 TYR C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -156.04 -35.26 -84.23 -87.29 -89.43 . . 0 "[ . 1 . 2]"
88 . 1 133 LEU C 1 134 VAL N 1 134 VAL CA 1 134 VAL C -149.25 -99.17 -126.20 -122.98 -123.85 . . 0 "[ . 1 . 2]"
89 . 1 134 VAL C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -140.66 -60.26 -93.07 -90.14 -91.62 . . 0 "[ . 1 . 2]"
90 . 1 135 LEU C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -133.27 -70.21 -122.05 -133.85 -117.59 0.58 16 0 "[ . 1 . 2]"
91 . 1 137 ILE C 1 138 ASN N 1 138 ASN CA 1 138 ASN C -134.66 -74.86 -76.96 -106.49 -73.84 1.02 19 0 "[ . 1 . 2]"
92 . 1 138 ASN C 1 139 ASP N 1 139 ASP CA 1 139 ASP C -157.44 -134.34 -156.46 -157.74 -151.90 0.30 5 0 "[ . 1 . 2]"
93 . 1 139 ASP C 1 140 PHE N 1 140 PHE CA 1 140 PHE C -168.68 -92.28 -134.03 -137.47 -130.40 . . 0 "[ . 1 . 2]"
94 . 1 140 PHE C 1 141 SER N 1 141 SER CA 1 141 SER C -176.83 -79.67 -141.80 -146.51 -149.75 . . 0 "[ . 1 . 2]"
95 . 1 141 SER C 1 142 MET N 1 142 MET CA 1 142 MET C -124.01 -44.23 -67.22 -71.21 -73.10 . . 0 "[ . 1 . 2]"
96 . 1 142 MET C 1 143 PHE N 1 143 PHE CA 1 143 PHE C -119.07 -67.37 -79.90 -113.71 -67.13 0.24 13 0 "[ . 1 . 2]"
97 . 1 147 GLN C 1 148 LEU N 1 148 LEU CA 1 148 LEU C -137.17 -42.07 -126.15 -127.62 -137.11 0.80 16 0 "[ . 1 . 2]"
98 . 1 148 LEU C 1 149 ILE N 1 149 ILE CA 1 149 ILE C -150.36 -38.80 -102.22 -96.00 -103.24 . . 0 "[ . 1 . 2]"
99 . 1 149 ILE C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -145.48 -37.42 -81.75 -79.26 -79.56 . . 0 "[ . 1 . 2]"
100 . 1 150 LEU C 1 151 SER N 1 151 SER CA 1 151 SER C -78.58 -50.78 -68.97 -66.33 -67.81 . . 0 "[ . 1 . 2]"
101 . 1 151 SER C 1 152 ASN N 1 152 ASN CA 1 152 ASN C -119.07 -42.43 -75.15 -79.92 -87.61 . . 0 "[ . 1 . 2]"
102 . 1 152 ASN C 1 153 ALA N 1 153 ALA CA 1 153 ALA C -84.30 -44.62 -56.77 -61.47 -63.37 . . 0 "[ . 1 . 2]"
103 . 1 153 ALA C 1 154 GLY N 1 154 GLY CA 1 154 GLY C -88.32 -48.90 -63.56 -69.67 -59.76 . . 0 "[ . 1 . 2]"
104 . 1 154 GLY C 1 155 THR N 1 155 THR CA 1 155 THR C -117.52 -74.68 -77.16 -74.59 -74.89 0.27 11 0 "[ . 1 . 2]"
105 . 1 156 ILE C 1 157 GLU N 1 157 GLU CA 1 157 GLU C -143.62 -83.48 -98.40 -83.12 -86.00 0.79 5 0 "[ . 1 . 2]"
106 . 1 158 PHE C 1 159 LEU N 1 159 LEU CA 1 159 LEU C -82.51 -49.55 -79.53 -81.97 -82.35 2.45 5 0 "[ . 1 . 2]"
107 . 1 162 THR C 1 163 PRO N 1 163 PRO CA 1 163 PRO C -65.08 -39.26 -56.44 -60.05 -60.24 . . 0 "[ . 1 . 2]"
108 . 1 163 PRO C 1 164 ARG N 1 164 ARG CA 1 164 ARG C -78.57 -58.27 -65.38 -74.78 -59.91 . . 0 "[ . 1 . 2]"
109 . 1 164 ARG C 1 165 TYR N 1 165 TYR CA 1 165 TYR C -70.47 -59.93 -64.85 -70.62 -59.95 0.15 11 0 "[ . 1 . 2]"
110 . 1 165 TYR C 1 166 ILE N 1 166 ILE CA 1 166 ILE C -72.83 -53.77 -63.70 -69.60 -70.00 . . 0 "[ . 1 . 2]"
111 . 1 166 ILE C 1 167 ALA N 1 167 ALA CA 1 167 ALA C -76.56 -51.56 -68.81 -66.30 -68.52 0.42 7 0 "[ . 1 . 2]"
112 . 1 167 ALA C 1 168 ARG N 1 168 ARG CA 1 168 ARG C -89.15 -47.29 -68.32 -67.00 -69.18 0.47 15 0 "[ . 1 . 2]"
113 . 1 168 ARG C 1 169 PHE N 1 169 PHE CA 1 169 PHE C -117.00 -35.66 -111.45 -107.18 -110.86 0.94 15 0 "[ . 1 . 2]"
114 . 1 169 PHE C 1 170 ILE N 1 170 ILE CA 1 170 ILE C -128.47 -47.63 -75.54 -92.70 -94.91 . . 0 "[ . 1 . 2]"
115 . 1 170 ILE C 1 171 GLU N 1 171 GLU CA 1 171 GLU C -138.21 -44.05 -77.55 -60.05 -62.68 . . 0 "[ . 1 . 2]"
116 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLU N -64.35 -32.69 -38.54 -35.45 -36.35 0.61 2 0 "[ . 1 . 2]"
117 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 PRO N -63.53 -35.15 -59.63 -64.67 -50.86 1.14 18 0 "[ . 1 . 2]"
118 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 VAL N -54.55 -12.71 -37.68 -45.29 -29.37 . . 0 "[ . 1 . 2]"
119 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 LEU N -57.55 -34.89 -38.40 -47.52 -33.71 1.18 15 0 "[ . 1 . 2]"
120 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 CYS N -61.11 -0.15 -21.67 -8.95 -14.14 1.10 4 0 "[ . 1 . 2]"
121 . 1 29 CYS N 1 29 CYS CA 1 29 CYS C 1 30 GLU N -60.06 26.98 -56.94 -60.45 -60.61 1.02 1 0 "[ . 1 . 2]"
122 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 ALA N -40.42 28.28 -40.13 -41.60 -27.69 1.18 7 0 "[ . 1 . 2]"
123 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 GLY N -34.13 36.33 -34.46 -34.72 -34.77 1.00 19 0 "[ . 1 . 2]"
124 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 GLY N 111.60 170.40 152.01 116.79 171.04 0.64 18 0 "[ . 1 . 2]"
125 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 LYS N 104.41 167.83 154.26 139.99 168.19 0.36 10 0 "[ . 1 . 2]"
126 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 VAL N 103.08 162.24 123.84 126.16 124.59 . . 0 "[ . 1 . 2]"
127 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ASP N 134.76 176.06 163.01 162.52 160.06 . . 0 "[ . 1 . 2]"
128 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 VAL N 134.42 173.32 168.54 158.56 174.07 0.75 9 0 "[ . 1 . 2]"
129 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 LEU N 106.73 154.33 131.59 120.02 149.79 . . 0 "[ . 1 . 2]"
130 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 LYS N 125.39 171.83 135.00 125.26 147.14 0.13 9 0 "[ . 1 . 2]"
131 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 VAL N 110.46 162.64 137.67 135.13 134.09 . . 0 "[ . 1 . 2]"
132 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 LEU N 95.03 143.25 142.05 140.10 138.41 0.83 17 0 "[ . 1 . 2]"
133 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 ARG N -54.02 -12.22 -20.54 -14.71 -16.75 0.55 16 0 "[ . 1 . 2]"
134 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 ILE N 133.40 157.02 136.43 131.95 144.19 1.45 2 0 "[ . 1 . 2]"
135 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 TYR N 100.04 144.20 136.17 138.06 136.33 0.10 9 0 "[ . 1 . 2]"
136 . 1 50 PRO N 1 50 PRO CA 1 50 PRO C 1 51 ARG N 130.25 177.47 151.15 139.99 168.34 . . 0 "[ . 1 . 2]"
137 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 SER N 113.64 -170.32 169.08 150.43 -178.44 . . 0 "[ . 1 . 2]"
138 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 ASN N -45.43 -9.93 -24.10 -45.84 -9.82 0.41 5 0 "[ . 1 . 2]"
139 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 THR N -44.76 23.66 -13.34 5.02 -9.82 1.08 11 0 "[ . 1 . 2]"
140 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 SER N -34.11 25.99 -2.49 21.97 13.86 0.72 2 0 "[ . 1 . 2]"
141 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 LEU N 120.20 -179.66 127.22 128.41 124.69 0.16 20 0 "[ . 1 . 2]"
142 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 CYS N 139.82 163.76 152.23 139.77 160.96 0.05 5 0 "[ . 1 . 2]"
143 . 1 61 CYS N 1 61 CYS CA 1 61 CYS C 1 62 LEU N 103.80 148.86 115.23 104.25 138.19 . . 0 "[ . 1 . 2]"
144 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 CYS N 131.87 178.37 153.92 157.52 154.40 . . 0 "[ . 1 . 2]"
145 . 1 63 CYS N 1 63 CYS CA 1 63 CYS C 1 64 ASP N 120.25 175.67 125.32 119.51 156.39 0.74 14 0 "[ . 1 . 2]"
146 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 TYR N -47.12 6.60 -36.77 -27.65 -34.55 0.25 20 0 "[ . 1 . 2]"
147 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 LYS N 119.44 -169.86 172.42 160.30 -168.80 1.06 14 0 "[ . 1 . 2]"
148 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ALA N 96.50 170.52 147.77 142.04 138.33 . . 0 "[ . 1 . 2]"
149 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 PHE N 146.17 179.89 153.83 145.36 160.00 0.81 2 0 "[ . 1 . 2]"
150 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 ALA N 130.11 174.47 138.27 129.85 150.04 0.26 16 0 "[ . 1 . 2]"
151 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ASN N 105.70 162.02 135.85 126.21 141.02 . . 0 "[ . 1 . 2]"
152 . 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 TYR N 136.86 -168.44 156.44 145.17 163.80 . . 0 "[ . 1 . 2]"
153 . 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 LYS N -48.66 -21.18 -34.56 -33.70 -34.41 . . 0 "[ . 1 . 2]"
154 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 ALA N -57.74 -27.68 -40.84 -39.20 -39.89 . . 0 "[ . 1 . 2]"
155 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 ILE N -50.56 -33.88 -36.61 -34.90 -35.43 0.45 14 0 "[ . 1 . 2]"
156 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 ALA N -53.91 -33.25 -53.01 -54.13 -49.97 0.22 8 0 "[ . 1 . 2]"
157 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 ALA N -58.62 -30.66 -35.09 -44.57 -29.89 0.77 3 0 "[ . 1 . 2]"
158 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 PHE N -54.72 -25.08 -38.85 -50.50 -53.17 1.51 1 0 "[ . 1 . 2]"
159 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 GLU N -54.60 -33.70 -36.07 -40.85 -32.71 0.99 1 0 "[ . 1 . 2]"
160 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 ARG N -67.22 -24.84 -39.88 -45.45 -28.45 . . 0 "[ . 1 . 2]"
161 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 LYS N -54.66 -32.24 -36.59 -41.02 -43.87 0.57 8 0 "[ . 1 . 2]"
162 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 ARG N -21.85 33.39 -12.43 -23.47 16.70 1.62 11 0 "[ . 1 . 2]"
163 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 ARG N 9.76 63.22 28.94 20.73 34.09 . . 0 "[ . 1 . 2]"
164 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 ARG N 97.55 -149.17 165.99 168.86 168.54 . . 0 "[ . 1 . 2]"
165 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 VAL N 97.59 169.91 120.59 111.35 129.64 . . 0 "[ . 1 . 2]"
166 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 THR N -43.95 0.73 -35.93 -45.28 -16.17 1.33 17 0 "[ . 1 . 2]"
167 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 GLN N -73.35 42.59 -8.24 -19.42 -19.69 1.72 14 0 "[ . 1 . 2]"
168 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 LEU N -61.62 -11.66 -42.80 -52.72 -24.93 . . 0 "[ . 1 . 2]"
169 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 ASN N -56.23 -23.19 -40.09 -40.01 -40.02 . . 0 "[ . 1 . 2]"
170 . 1 98 ILE N 1 98 ILE CA 1 98 ILE C 1 99 MET N 125.06 -175.44 146.91 142.09 140.72 . . 0 "[ . 1 . 2]"
171 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 ILE N 102.72 147.24 115.41 102.58 132.12 0.14 18 0 "[ . 1 . 2]"
172 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 HIS N 90.90 -175.76 114.79 119.12 117.75 . . 0 "[ . 1 . 2]"
173 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 PHE N 115.58 173.24 140.97 130.62 149.53 . . 0 "[ . 1 . 2]"
174 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 THR N 102.08 145.68 146.23 145.85 146.55 0.87 14 0 "[ . 1 . 2]"
175 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ILE N 115.60 152.76 144.15 139.97 152.91 0.15 16 0 "[ . 1 . 2]"
176 . 1 105 ILE N 1 105 ILE CA 1 105 ILE C 1 106 ARG N 118.89 147.77 138.17 130.28 142.70 . . 0 "[ . 1 . 2]"
177 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 PHE N 100.18 -159.92 146.99 128.50 161.36 . . 0 "[ . 1 . 2]"
178 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 TYR N 103.64 160.04 140.67 142.19 139.95 . . 0 "[ . 1 . 2]"
179 . 1 108 TYR N 1 108 TYR CA 1 108 TYR C 1 109 ASN N 122.32 167.66 145.92 130.46 157.16 . . 0 "[ . 1 . 2]"
180 . 1 109 ASN N 1 109 ASN CA 1 109 ASN C 1 110 ASP N 149.07 -179.63 178.62 170.55 -178.60 1.03 14 0 "[ . 1 . 2]"
181 . 1 110 ASP N 1 110 ASP CA 1 110 ASP C 1 111 ASP N -47.93 -29.55 -39.80 -42.89 -36.27 . . 0 "[ . 1 . 2]"
182 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 GLN N -56.50 -34.44 -40.16 -38.73 -39.58 . . 0 "[ . 1 . 2]"
183 . 1 112 GLN N 1 112 GLN CA 1 112 GLN C 1 113 VAL N -56.14 -25.68 -45.57 -46.55 -49.12 . . 0 "[ . 1 . 2]"
184 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 GLN N -51.70 -31.28 -31.50 -30.46 -30.84 0.90 11 0 "[ . 1 . 2]"
185 . 1 114 GLN N 1 114 GLN CA 1 114 GLN C 1 115 GLY N -52.90 -26.62 -45.30 -45.89 -49.84 . . 0 "[ . 1 . 2]"
186 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 PHE N -52.46 11.50 -30.63 -27.94 -29.33 . . 0 "[ . 1 . 2]"
187 . 1 116 PHE N 1 116 PHE CA 1 116 PHE C 1 117 PHE N -62.84 20.78 -41.52 -58.74 -30.55 . . 0 "[ . 1 . 2]"
188 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 GLY N -42.72 19.48 -31.31 -26.72 -27.99 0.06 6 0 "[ . 1 . 2]"
189 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 LEU N -19.22 40.80 41.15 41.16 41.14 2.17 5 0 "[ . 1 . 2]"
190 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 LYS N 76.81 -176.45 124.23 106.65 134.07 . . 0 "[ . 1 . 2]"
191 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 PHE N 110.46 159.64 124.04 110.00 137.55 0.46 13 0 "[ . 1 . 2]"
192 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C 1 123 LYS N 89.54 -177.74 137.48 138.61 132.93 . . 0 "[ . 1 . 2]"
193 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 GLN N 103.29 -160.11 115.94 105.70 129.91 . . 0 "[ . 1 . 2]"
194 . 1 124 GLN N 1 124 GLN CA 1 124 GLN C 1 125 LYS N -50.00 19.48 6.97 11.83 10.46 0.33 4 0 "[ . 1 . 2]"
195 . 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 LEU N 85.66 -177.04 144.17 144.12 140.94 . . 0 "[ . 1 . 2]"
196 . 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 PRO N 103.93 176.77 154.44 142.05 165.36 . . 0 "[ . 1 . 2]"
197 . 1 130 PRO N 1 130 PRO CA 1 130 PRO C 1 131 GLY N 125.65 167.21 140.91 137.95 133.55 . . 0 "[ . 1 . 2]"
198 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C 1 133 LEU N 90.74 160.90 126.20 127.83 126.38 . . 0 "[ . 1 . 2]"
199 . 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 VAL N 99.13 152.07 120.89 111.85 130.57 . . 0 "[ . 1 . 2]"
200 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C 1 135 LEU N 123.93 153.33 129.86 124.98 134.62 . . 0 "[ . 1 . 2]"
201 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 GLU N 95.49 160.71 159.26 155.97 160.99 0.28 15 0 "[ . 1 . 2]"
202 . 1 136 GLU N 1 136 GLU CA 1 136 GLU C 1 137 ILE N 75.83 149.23 128.47 118.36 142.07 . . 0 "[ . 1 . 2]"
203 . 1 138 ASN N 1 138 ASN CA 1 138 ASN C 1 139 ASP N -46.13 0.77 -39.74 -39.25 -39.87 . . 0 "[ . 1 . 2]"
204 . 1 139 ASP N 1 139 ASP CA 1 139 ASP C 1 140 PHE N 124.40 149.04 123.86 123.77 123.73 0.88 13 0 "[ . 1 . 2]"
205 . 1 140 PHE N 1 140 PHE CA 1 140 PHE C 1 141 SER N 123.82 -172.68 159.58 153.12 170.03 . . 0 "[ . 1 . 2]"
206 . 1 141 SER N 1 141 SER CA 1 141 SER C 1 142 MET N 124.36 -175.56 151.71 145.62 160.12 . . 0 "[ . 1 . 2]"
207 . 1 142 MET N 1 142 MET CA 1 142 MET C 1 143 PHE N 71.39 157.49 115.24 118.05 111.65 . . 0 "[ . 1 . 2]"
208 . 1 143 PHE N 1 143 PHE CA 1 143 PHE C 1 144 ASN N -61.09 -5.97 -51.35 -49.92 -54.98 4.78 20 0 "[ . 1 . 2]"
209 . 1 148 LEU N 1 148 LEU CA 1 148 LEU C 1 149 ILE N 107.28 166.82 142.39 127.23 162.68 . . 0 "[ . 1 . 2]"
210 . 1 149 ILE N 1 149 ILE CA 1 149 ILE C 1 150 LEU N 100.16 156.02 143.10 133.10 151.95 . . 0 "[ . 1 . 2]"
211 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 SER N 82.11 177.29 84.06 81.29 89.08 0.82 20 0 "[ . 1 . 2]"
212 . 1 151 SER N 1 151 SER CA 1 151 SER C 1 152 ASN N -43.77 4.45 -24.37 -35.67 -14.33 . . 0 "[ . 1 . 2]"
213 . 1 152 ASN N 1 152 ASN CA 1 152 ASN C 1 153 ALA N -52.78 28.42 -5.78 -20.29 15.03 . . 0 "[ . 1 . 2]"
214 . 1 153 ALA N 1 153 ALA CA 1 153 ALA C 1 154 GLY N -56.23 -9.33 -31.32 -39.80 -22.58 . . 0 "[ . 1 . 2]"
215 . 1 154 GLY N 1 154 GLY CA 1 154 GLY C 1 155 THR N -54.50 5.78 -34.54 -35.63 -36.94 . . 0 "[ . 1 . 2]"
216 . 1 155 THR N 1 155 THR CA 1 155 THR C 1 156 ILE N -36.76 24.18 -28.26 -34.53 -19.25 . . 0 "[ . 1 . 2]"
217 . 1 157 GLU N 1 157 GLU CA 1 157 GLU C 1 158 PHE N 123.53 -170.81 162.36 -179.12 177.80 . . 0 "[ . 1 . 2]"
218 . 1 161 GLY N 1 161 GLY CA 1 161 GLY C 1 162 THR N -7.93 43.29 21.66 17.06 3.50 1.18 5 0 "[ . 1 . 2]"
219 . 1 163 PRO N 1 163 PRO CA 1 163 PRO C 1 164 ARG N -54.26 -16.10 -33.98 -30.35 -30.96 . . 0 "[ . 1 . 2]"
220 . 1 164 ARG N 1 164 ARG CA 1 164 ARG C 1 165 TYR N -53.25 -18.45 -50.97 -43.52 -47.24 0.89 18 0 "[ . 1 . 2]"
221 . 1 165 TYR N 1 165 TYR CA 1 165 TYR C 1 166 ILE N -53.57 -33.91 -40.72 -40.06 -41.01 . . 0 "[ . 1 . 2]"
222 . 1 166 ILE N 1 166 ILE CA 1 166 ILE C 1 167 ALA N -52.34 -32.84 -42.71 -40.86 -42.32 . . 0 "[ . 1 . 2]"
223 . 1 167 ALA N 1 167 ALA CA 1 167 ALA C 1 168 ARG N -64.75 -5.71 -28.43 -39.91 -5.53 0.18 15 0 "[ . 1 . 2]"
224 . 1 168 ARG N 1 168 ARG CA 1 168 ARG C 1 169 PHE N -49.17 -31.43 -36.67 -49.21 -30.15 1.28 7 0 "[ . 1 . 2]"
225 . 1 169 PHE N 1 169 PHE CA 1 169 PHE C 1 170 ILE N -63.85 12.27 -42.34 -29.68 -30.91 . . 0 "[ . 1 . 2]"
226 . 1 170 ILE N 1 170 ILE CA 1 170 ILE C 1 171 GLU N -69.35 20.65 -46.38 -66.09 -33.27 . . 0 "[ . 1 . 2]"
227 . 1 171 GLU N 1 171 GLU CA 1 171 GLU C 1 172 GLN N -62.40 33.80 0.30 -38.08 34.05 0.25 20 0 "[ . 1 . 2]"
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