NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524008 |
2lfu   |
16679 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lfu
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 234
_TA_constraint_stats_list.Viol_count 557
_TA_constraint_stats_list.Viol_total 10798.56
_TA_constraint_stats_list.Viol_max 14.51
_TA_constraint_stats_list.Viol_rms 1.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.46
_TA_constraint_stats_list.Viol_average_violations_only 1.94
_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 34 ASN C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -129.00 -51.00 -92.04 -110.02 -80.03 . . 0 "[ . 1]"
2 . 1 36 PHE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -168.00 -66.00 -121.64 -101.05 -126.95 0.50 5 0 "[ . 1]"
3 . 1 37 ALA C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -83.00 -43.00 -73.35 -65.46 -82.37 2.16 8 0 "[ . 1]"
4 . 1 40 GLY C 1 41 ASN N 1 41 ASN CA 1 41 ASN C -156.00 -40.00 -99.62 -154.73 -71.42 . . 0 "[ . 1]"
5 . 1 41 ASN C 1 42 TYR N 1 42 TYR CA 1 42 TYR C -100.00 -60.00 -94.18 -101.47 -72.99 1.47 8 0 "[ . 1]"
6 . 1 44 TYR C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -176.00 -72.00 -130.55 -101.30 -115.58 4.90 8 0 "[ . 1]"
7 . 1 45 LEU C 1 46 THR N 1 46 THR CA 1 46 THR C -172.00 -80.00 -133.80 -89.74 -155.00 10.94 7 2 "[ - . + 1]"
8 . 1 46 THR C 1 47 TYR N 1 47 TYR CA 1 47 TYR C -144.00 -104.00 -126.51 -146.01 -102.12 2.01 8 0 "[ . 1]"
9 . 1 47 TYR C 1 48 GLY N 1 48 GLY CA 1 48 GLY C 109.00 -81.00 164.29 -179.27 158.08 7.84 4 1 "[ +. 1]"
10 . 1 48 GLY C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -163.00 -97.00 -134.98 -155.49 -156.17 6.07 7 1 "[ . + 1]"
11 . 1 49 ALA C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -162.00 -110.00 -132.25 -127.28 -133.64 1.80 6 0 "[ . 1]"
12 . 1 50 GLU C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -117.00 -69.00 -98.52 -118.14 -75.82 1.14 6 0 "[ . 1]"
13 . 1 51 LYS C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -122.00 -46.00 -97.48 -122.02 -65.72 0.02 7 0 "[ . 1]"
14 . 1 56 SER C 1 57 TYR N 1 57 TYR CA 1 57 TYR C -165.00 -89.00 -133.77 -122.59 -134.89 1.97 9 0 "[ . 1]"
15 . 1 57 TYR C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -154.00 -82.00 -122.92 -80.52 -120.71 6.10 7 1 "[ . + 1]"
16 . 1 58 ALA C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -141.00 -81.00 -119.37 -129.84 -139.59 2.74 7 0 "[ . 1]"
17 . 1 59 LEU C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -163.00 -109.00 -133.56 -164.99 -108.87 1.99 6 0 "[ . 1]"
18 . 1 60 ARG C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -140.00 -74.00 -117.66 -153.91 -70.05 13.91 7 2 "[ - . + 1]"
19 . 1 61 VAL C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -136.00 -92.00 -107.06 -91.53 -108.37 3.70 7 0 "[ . 1]"
20 . 1 62 GLN C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -174.00 -96.00 -108.60 -97.34 -102.94 4.78 10 0 "[ . 1]"
21 . 1 63 GLY C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -159.00 -87.00 -111.27 -146.33 -83.52 3.48 9 0 "[ . 1]"
22 . 1 64 GLU C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -89.00 -49.00 -73.06 -60.98 -75.05 2.64 9 0 "[ . 1]"
23 . 1 65 PRO C 1 66 ALA N 1 66 ALA CA 1 66 ALA C 150.00 12.00 -52.00 -54.18 -58.13 . . 0 "[ . 1]"
24 . 1 66 ALA C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -123.00 -55.00 -108.08 -108.87 -123.55 5.43 8 1 "[ . + 1]"
25 . 1 68 GLY C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -97.00 -47.00 -70.63 -87.65 -45.60 1.40 4 0 "[ . 1]"
26 . 1 69 GLU C 1 70 MET N 1 70 MET CA 1 70 MET C -130.00 -68.00 -109.21 -131.08 -87.11 1.08 4 0 "[ . 1]"
27 . 1 70 MET C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -118.00 -60.00 -74.11 -83.44 -65.79 . . 0 "[ . 1]"
28 . 1 71 LEU C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -162.00 -80.00 -146.35 -161.91 -76.25 3.75 4 0 "[ . 1]"
29 . 1 72 ALA C 1 73 GLY N 1 73 GLY CA 1 73 GLY C 122.00 -42.00 124.70 120.23 -93.11 1.77 2 0 "[ . 1]"
30 . 1 73 GLY C 1 74 THR N 1 74 THR CA 1 74 THR C -172.00 -98.00 -104.18 -108.75 -123.89 1.44 4 0 "[ . 1]"
31 . 1 74 THR C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -167.00 -119.00 -140.42 -142.92 -146.51 . . 0 "[ . 1]"
32 . 1 75 ALA C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -141.00 -89.00 -127.14 -132.94 -138.78 0.22 6 0 "[ . 1]"
33 . 1 76 VAL C 1 77 TYR N 1 77 TYR CA 1 77 TYR C -149.00 -99.00 -102.19 -111.99 -97.88 1.12 9 0 "[ . 1]"
34 . 1 77 TYR C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -173.00 -107.00 -131.65 -157.83 -115.79 . . 0 "[ . 1]"
35 . 1 78 ASN C 1 79 GLY N 1 79 GLY CA 1 79 GLY C 85.00 21.00 -168.56 -176.81 -162.52 . . 0 "[ . 1]"
36 . 1 79 GLY C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -166.00 -106.00 -122.17 -120.78 -129.49 . . 0 "[ . 1]"
37 . 1 80 GLU C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -171.00 -107.00 -112.73 -112.06 -119.45 0.86 8 0 "[ . 1]"
38 . 1 81 VAL C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -171.00 -57.00 -99.51 -124.87 -89.40 . . 0 "[ . 1]"
39 . 1 82 LEU C 1 83 HIS N 1 83 HIS CA 1 83 HIS C -158.00 -82.00 -99.92 -98.97 -102.24 . . 0 "[ . 1]"
40 . 1 83 HIS C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -169.00 -83.00 -94.55 -126.31 -82.15 0.85 7 0 "[ . 1]"
41 . 1 84 PHE C 1 85 HIS N 1 85 HIS CA 1 85 HIS C -176.00 -88.00 -158.90 -176.26 -110.79 0.26 8 0 "[ . 1]"
42 . 1 85 HIS C 1 86 THR N 1 86 THR CA 1 86 THR C -145.00 -47.00 -87.37 -93.08 -137.01 1.49 1 0 "[ . 1]"
43 . 1 86 THR C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -105.00 -59.00 -92.49 -105.33 -106.41 5.20 3 1 "[ + . 1]"
44 . 1 88 ASN C 1 89 GLY N 1 89 GLY CA 1 89 GLY C 135.00 -1.00 -155.29 134.68 -101.73 0.32 4 0 "[ . 1]"
45 . 1 92 TYR C 1 93 PRO N 1 93 PRO CA 1 93 PRO C -87.00 -47.00 -72.30 -87.06 -48.55 0.06 3 0 "[ . 1]"
46 . 1 93 PRO C 1 94 THR N 1 94 THR CA 1 94 THR C -173.00 -69.00 -93.70 -72.58 -87.01 1.02 4 0 "[ . 1]"
47 . 1 94 THR C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -146.00 -90.00 -112.37 -101.42 -102.48 . . 0 "[ . 1]"
48 . 1 95 ARG C 1 96 GLY N 1 96 GLY CA 1 96 GLY C -156.00 -64.00 -105.01 -90.52 -95.21 . . 0 "[ . 1]"
49 . 1 96 GLY C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -160.00 -106.00 -107.70 -106.09 -110.28 1.98 8 0 "[ . 1]"
50 . 1 97 ARG C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -155.00 -111.00 -140.43 -148.74 -151.67 . . 0 "[ . 1]"
51 . 1 98 PHE C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -165.00 -101.00 -137.85 -136.84 -137.25 . . 0 "[ . 1]"
52 . 1 99 ALA C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -168.00 -96.00 -148.51 -157.18 -136.33 . . 0 "[ . 1]"
53 . 1 100 ALA C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -145.00 -63.00 -99.59 -115.97 -87.28 . . 0 "[ . 1]"
54 . 1 101 LYS C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -145.00 -105.00 -119.85 -119.40 -121.05 . . 0 "[ . 1]"
55 . 1 102 VAL C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -133.00 -69.00 -105.40 -109.16 -114.40 . . 0 "[ . 1]"
56 . 1 103 ASP C 1 104 PHE N 1 104 PHE CA 1 104 PHE C -79.00 -39.00 -70.94 -74.77 -76.70 0.25 10 0 "[ . 1]"
57 . 1 104 PHE C 1 105 GLY N 1 105 GLY CA 1 105 GLY C -87.00 -47.00 -65.50 -69.52 -75.29 . . 0 "[ . 1]"
58 . 1 105 GLY C 1 106 SER N 1 106 SER CA 1 106 SER C -112.00 -72.00 -104.24 -112.58 -88.37 0.58 7 0 "[ . 1]"
59 . 1 106 SER C 1 107 LYS N 1 107 LYS CA 1 107 LYS C 39.00 79.00 52.34 51.28 51.24 . . 0 "[ . 1]"
60 . 1 107 LYS C 1 108 SER N 1 108 SER CA 1 108 SER C -159.00 -57.00 -145.27 -149.60 -134.08 . . 0 "[ . 1]"
61 . 1 108 SER C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -157.00 -103.00 -133.19 -129.27 -129.69 . . 0 "[ . 1]"
62 . 1 109 VAL C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -152.00 -72.00 -108.46 -121.13 -95.24 . . 0 "[ . 1]"
63 . 1 110 ASP C 1 111 GLY N 1 111 GLY CA 1 111 GLY C 159.00 -85.00 -119.31 -111.31 -114.70 . . 0 "[ . 1]"
64 . 1 111 GLY C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -170.00 -114.00 -124.21 -146.78 -112.99 1.01 4 0 "[ . 1]"
65 . 1 112 ILE C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -157.00 -89.00 -117.48 -114.20 -116.14 . . 0 "[ . 1]"
66 . 1 113 ILE C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -137.00 -61.00 -89.76 -121.24 -68.43 . . 0 "[ . 1]"
67 . 1 114 ASP C 1 115 SER N 1 115 SER CA 1 115 SER C -111.00 -33.00 -84.19 -70.56 -70.83 . . 0 "[ . 1]"
68 . 1 116 GLY C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -152.00 -72.00 -128.76 -129.18 -133.39 1.00 3 0 "[ . 1]"
69 . 1 117 ASP C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -83.00 -43.00 -71.86 -65.44 -78.02 0.65 8 0 "[ . 1]"
70 . 1 118 ASP C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -101.00 -57.00 -76.88 -78.66 -82.54 . . 0 "[ . 1]"
71 . 1 120 HIS C 1 121 MET N 1 121 MET CA 1 121 MET C -78.00 -38.00 -71.53 -79.23 -55.55 1.23 9 0 "[ . 1]"
72 . 1 122 GLY C 1 123 THR N 1 123 THR CA 1 123 THR C -129.00 -79.00 -92.98 -129.17 -78.35 0.65 4 0 "[ . 1]"
73 . 1 123 THR C 1 124 GLN N 1 124 GLN CA 1 124 GLN C -160.00 -108.00 -112.10 -140.05 -103.78 4.22 10 0 "[ . 1]"
74 . 1 124 GLN C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -168.00 -68.00 -138.86 -148.43 -153.63 . . 0 "[ . 1]"
75 . 1 125 LYS C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -158.00 -78.00 -130.52 -151.49 -73.89 4.11 8 0 "[ . 1]"
76 . 1 126 PHE C 1 127 LYS N 1 127 LYS CA 1 127 LYS C -155.00 -105.00 -119.60 -106.74 -113.86 0.10 5 0 "[ . 1]"
77 . 1 127 LYS C 1 128 ALA N 1 128 ALA CA 1 128 ALA C -167.00 -111.00 -134.49 -141.58 -128.85 . . 0 "[ . 1]"
78 . 1 128 ALA C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -141.00 -93.00 -102.79 -96.92 -101.31 0.31 3 0 "[ . 1]"
79 . 1 129 ALA C 1 130 ILE N 1 130 ILE CA 1 130 ILE C -133.00 -83.00 -81.51 -82.80 -79.44 3.56 3 0 "[ . 1]"
80 . 1 130 ILE C 1 131 ASP N 1 131 ASP CA 1 131 ASP C -167.00 -97.00 -114.71 -111.46 -113.63 . . 0 "[ . 1]"
81 . 1 131 ASP C 1 132 GLY N 1 132 GLY CA 1 132 GLY C -95.00 -165.00 74.10 53.79 101.34 . . 0 "[ . 1]"
82 . 1 134 GLY C 1 135 PHE N 1 135 PHE CA 1 135 PHE C -175.00 -109.00 -140.56 -133.44 -136.91 . . 0 "[ . 1]"
83 . 1 135 PHE C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -169.00 -77.00 -121.04 -131.99 -112.37 . . 0 "[ . 1]"
84 . 1 136 LYS C 1 137 GLY N 1 137 GLY CA 1 137 GLY C 153.00 -49.00 -144.22 -161.19 -126.23 . . 0 "[ . 1]"
85 . 1 137 GLY C 1 138 THR N 1 138 THR CA 1 138 THR C -173.00 -101.00 -146.36 -170.99 -125.24 . . 0 "[ . 1]"
86 . 1 138 THR C 1 139 TRP N 1 139 TRP CA 1 139 TRP C -125.00 -57.00 -61.57 -62.16 -64.23 0.75 2 0 "[ . 1]"
87 . 1 144 GLY C 1 145 GLY N 1 145 GLY CA 1 145 GLY C 119.00 1.00 -124.52 -112.21 -137.30 . . 0 "[ . 1]"
88 . 1 145 GLY C 1 146 ASP N 1 146 ASP CA 1 146 ASP C 167.00 -83.00 -98.64 -96.18 -99.66 0.51 6 0 "[ . 1]"
89 . 1 146 ASP C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -148.00 -90.00 -123.06 -135.67 -109.53 . . 0 "[ . 1]"
90 . 1 147 VAL C 1 148 SER N 1 148 SER CA 1 148 SER C 179.00 -71.00 -143.50 -144.61 -147.42 . . 0 "[ . 1]"
91 . 1 148 SER C 1 149 GLY N 1 149 GLY CA 1 149 GLY C 113.00 -69.00 -154.53 -170.13 -141.05 . . 0 "[ . 1]"
92 . 1 149 GLY C 1 150 ARG N 1 150 ARG CA 1 150 ARG C -166.00 -116.00 -121.77 -117.07 -118.67 0.39 8 0 "[ . 1]"
93 . 1 150 ARG C 1 151 PHE N 1 151 PHE CA 1 151 PHE C -153.00 -67.00 -89.44 -98.10 -82.24 . . 0 "[ . 1]"
94 . 1 151 PHE C 1 152 TYR N 1 152 TYR CA 1 152 TYR C -148.00 -104.00 -102.25 -109.58 -97.56 6.44 4 1 "[ +. 1]"
95 . 1 152 TYR C 1 153 GLY N 1 153 GLY CA 1 153 GLY C -155.00 -39.00 -40.47 -37.98 -38.42 5.85 7 1 "[ . + 1]"
96 . 1 154 PRO C 1 155 ALA N 1 155 ALA CA 1 155 ALA C -113.00 -71.00 -82.52 -94.82 -72.25 . . 0 "[ . 1]"
97 . 1 156 GLY C 1 157 GLU N 1 157 GLU CA 1 157 GLU C -101.00 -59.00 -66.67 -71.30 -73.15 0.27 9 0 "[ . 1]"
98 . 1 157 GLU C 1 158 GLU N 1 158 GLU CA 1 158 GLU C -157.00 -117.00 -122.49 -138.53 -115.02 1.98 9 0 "[ . 1]"
99 . 1 158 GLU C 1 159 VAL N 1 159 VAL CA 1 159 VAL C -166.00 -122.00 -137.81 -144.54 -130.36 . . 0 "[ . 1]"
100 . 1 159 VAL C 1 160 ALA N 1 160 ALA CA 1 160 ALA C -166.00 -108.00 -136.74 -145.43 -124.61 . . 0 "[ . 1]"
101 . 1 161 GLY C 1 162 LYS N 1 162 LYS CA 1 162 LYS C -162.00 -98.00 -143.28 -148.80 -123.90 . . 0 "[ . 1]"
102 . 1 162 LYS C 1 163 TYR N 1 163 TYR CA 1 163 TYR C -165.00 -115.00 -121.49 -114.74 -119.42 1.46 2 0 "[ . 1]"
103 . 1 163 TYR C 1 164 SER N 1 164 SER CA 1 164 SER C 177.00 -85.00 -101.82 -95.04 -116.22 1.10 7 0 "[ . 1]"
104 . 1 164 SER C 1 165 TYR N 1 165 TYR CA 1 165 TYR C -174.00 -44.00 -90.29 -82.95 -87.47 . . 0 "[ . 1]"
105 . 1 171 GLU C 1 172 LYS N 1 172 LYS CA 1 172 LYS C -172.00 -70.00 -110.57 -156.25 -70.39 . . 0 "[ . 1]"
106 . 1 172 LYS C 1 173 GLY N 1 173 GLY CA 1 173 GLY C 148.00 -70.00 -107.10 146.84 -67.94 2.06 5 0 "[ . 1]"
107 . 1 174 GLY C 1 175 PHE N 1 175 PHE CA 1 175 PHE C 163.00 -65.00 -84.23 -71.50 -77.17 . . 0 "[ . 1]"
108 . 1 175 PHE C 1 176 GLY N 1 176 GLY CA 1 176 GLY C 34.00 80.00 82.24 83.82 83.33 3.93 2 0 "[ . 1]"
109 . 1 176 GLY C 1 177 VAL N 1 177 VAL CA 1 177 VAL C -163.00 -107.00 -107.55 -115.64 -104.73 2.27 5 0 "[ . 1]"
110 . 1 177 VAL C 1 178 PHE N 1 178 PHE CA 1 178 PHE C -156.00 -116.00 -140.29 -148.24 -130.29 . . 0 "[ . 1]"
111 . 1 178 PHE C 1 179 ALA N 1 179 ALA CA 1 179 ALA C 173.00 -73.00 -144.04 -148.83 -153.92 . . 0 "[ . 1]"
112 . 1 180 GLY C 1 181 LYS N 1 181 LYS CA 1 181 LYS C -166.00 -102.00 -110.74 -118.93 -101.90 0.10 6 0 "[ . 1]"
113 . 1 181 LYS C 1 182 LYS N 1 182 LYS CA 1 182 LYS C -166.00 -36.00 -64.25 -60.92 -63.16 . . 0 "[ . 1]"
114 . 1 182 LYS C 1 183 GLU N 1 183 GLU CA 1 183 GLU C -140.00 -46.00 -89.27 -103.18 -64.94 . . 0 "[ . 1]"
115 . 1 183 GLU C 1 184 GLN N 1 184 GLN CA 1 184 GLN C -163.00 -53.00 -87.63 -88.16 -103.47 . . 0 "[ . 1]"
116 . 1 185 ASP C 1 186 LEU N 1 186 LEU CA 1 186 LEU C -84.00 -44.00 -72.33 -72.12 -76.27 1.52 9 0 "[ . 1]"
117 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 ILE N -85.00 43.00 -10.21 -85.67 44.77 1.77 1 0 "[ . 1]"
118 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 PHE N -78.00 36.00 3.94 -74.43 42.60 6.60 7 1 "[ . + 1]"
119 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 PRO N 39.00 -169.00 114.12 111.09 97.01 . . 0 "[ . 1]"
120 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 GLU N 121.00 161.00 139.07 147.06 144.90 3.23 6 0 "[ . 1]"
121 . 1 41 ASN N 1 41 ASN CA 1 41 ASN C 1 42 TYR N 85.00 -175.00 98.49 82.91 147.62 2.09 2 0 "[ . 1]"
122 . 1 42 TYR N 1 42 TYR CA 1 42 TYR C 1 43 ARG N 100.00 144.00 122.89 144.13 120.06 2.79 3 0 "[ . 1]"
123 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 THR N 132.00 172.00 148.31 175.51 131.11 9.65 7 4 "[ ** . +- 1]"
124 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 TYR N 131.00 171.00 153.32 130.14 171.73 0.86 8 0 "[ . 1]"
125 . 1 47 TYR N 1 47 TYR CA 1 47 TYR C 1 48 GLY N 120.00 176.00 139.83 178.22 164.11 8.06 4 1 "[ +. 1]"
126 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 ALA N 137.00 -157.00 167.54 131.74 -151.06 5.94 8 2 "[ . -+ 1]"
127 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 GLU N 115.00 163.00 138.66 131.95 130.15 3.91 6 0 "[ . 1]"
128 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 LYS N 112.00 164.00 126.84 109.00 164.53 3.00 7 0 "[ . 1]"
129 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 LEU N 99.00 139.00 128.75 109.05 139.49 0.49 1 0 "[ . 1]"
130 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 PRO N 116.00 172.00 138.42 135.51 124.18 0.30 1 0 "[ . 1]"
131 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 TYR N 91.00 -143.00 149.05 83.76 -175.45 7.24 9 1 "[ . +1]"
132 . 1 57 TYR N 1 57 TYR CA 1 57 TYR C 1 58 ALA N 136.00 176.00 154.95 171.19 154.20 2.11 4 0 "[ . 1]"
133 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 LEU N 94.00 160.00 135.30 113.72 110.51 3.86 6 0 "[ . 1]"
134 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 ARG N 116.00 162.00 143.39 166.77 162.68 6.91 4 1 "[ +. 1]"
135 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 VAL N 128.00 176.00 137.00 113.49 -178.89 14.51 7 3 "[ *- . + 1]"
136 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 GLN N 98.00 148.00 130.68 122.38 107.00 1.56 1 0 "[ . 1]"
137 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 GLY N 121.00 173.00 149.28 160.34 151.86 4.24 8 0 "[ . 1]"
138 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 GLU N 108.00 -172.00 134.24 105.66 -171.37 2.34 5 0 "[ . 1]"
139 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 PRO N 77.00 -169.00 125.26 128.74 106.02 . . 0 "[ . 1]"
140 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 ALA N 123.00 167.00 136.01 124.51 122.87 0.59 1 0 "[ . 1]"
141 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 LYS N 53.00 -149.00 150.83 106.60 169.26 . . 0 "[ . 1]"
142 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 GLY N 74.00 -156.00 92.14 81.50 107.90 . . 0 "[ . 1]"
143 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 MET N -48.00 12.00 -21.30 -20.03 -25.56 . . 0 "[ . 1]"
144 . 1 70 MET N 1 70 MET CA 1 70 MET C 1 71 LEU N -42.00 28.00 -11.57 -0.18 -6.37 3.75 4 0 "[ . 1]"
145 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ALA N 48.00 -142.00 140.01 133.80 133.20 . . 0 "[ . 1]"
146 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 GLY N 118.00 -178.00 154.29 139.20 137.92 9.02 4 1 "[ +. 1]"
147 . 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 THR N 75.00 -123.00 178.32 160.77 -122.64 0.36 4 0 "[ . 1]"
148 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 ALA N 114.00 178.00 137.09 125.12 156.17 . . 0 "[ . 1]"
149 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 VAL N 126.00 166.00 155.19 148.28 162.20 . . 0 "[ . 1]"
150 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 TYR N 104.00 172.00 115.23 104.32 124.12 . . 0 "[ . 1]"
151 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 ASN N 129.00 173.00 135.80 127.49 127.46 1.67 9 0 "[ . 1]"
152 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 GLY N 133.00 173.00 140.54 132.60 132.40 0.60 1 0 "[ . 1]"
153 . 1 79 GLY N 1 79 GLY CA 1 79 GLY C 1 80 GLU N 73.00 -101.00 -150.32 -163.02 -140.98 . . 0 "[ . 1]"
154 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 VAL N 135.00 179.00 152.22 143.74 164.67 . . 0 "[ . 1]"
155 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 LEU N 118.00 164.00 120.18 117.04 116.62 1.58 1 0 "[ . 1]"
156 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 HIS N 105.00 145.00 103.10 103.95 103.48 3.24 1 0 "[ . 1]"
157 . 1 83 HIS N 1 83 HIS CA 1 83 HIS C 1 84 PHE N 116.00 176.00 119.03 112.73 138.83 3.27 4 0 "[ . 1]"
158 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 HIS N 116.00 174.00 148.23 142.81 129.85 1.31 9 0 "[ . 1]"
159 . 1 85 HIS N 1 85 HIS CA 1 85 HIS C 1 86 THR N 108.00 -178.00 144.76 115.64 106.57 4.00 7 0 "[ . 1]"
160 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 GLU N 102.00 -176.00 107.88 99.57 97.38 8.31 3 2 "[ + . -1]"
161 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 ASN N 95.00 173.00 139.97 159.56 128.15 2.18 10 0 "[ . 1]"
162 . 1 89 GLY N 1 89 GLY CA 1 89 GLY C 1 90 ARG N 92.00 -178.00 132.16 88.32 -175.49 3.68 6 0 "[ . 1]"
163 . 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 THR N 129.00 169.00 131.74 125.65 151.13 3.35 6 0 "[ . 1]"
164 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 ARG N 140.00 180.00 142.05 137.98 151.97 2.02 4 0 "[ . 1]"
165 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 GLY N 113.00 165.00 125.11 112.31 157.70 0.69 2 0 "[ . 1]"
166 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 ARG N 106.00 -178.00 -179.12 165.37 -175.42 2.58 5 0 "[ . 1]"
167 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 PHE N 124.00 164.00 145.02 127.49 164.50 0.50 7 0 "[ . 1]"
168 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 ALA N 118.00 158.00 138.23 132.20 142.73 . . 0 "[ . 1]"
169 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 ALA N 107.00 -165.00 159.69 160.70 156.25 . . 0 "[ . 1]"
170 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 LYS N 102.00 174.00 122.52 120.04 119.40 . . 0 "[ . 1]"
171 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 VAL N 99.00 147.00 100.72 97.32 103.61 1.68 8 0 "[ . 1]"
172 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 ASP N 115.00 155.00 131.08 117.31 140.33 . . 0 "[ . 1]"
173 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 PHE N 95.00 -153.00 108.71 94.11 121.90 0.89 4 0 "[ . 1]"
174 . 1 104 PHE N 1 104 PHE CA 1 104 PHE C 1 105 GLY N -54.00 -14.00 -25.95 -37.92 -17.04 . . 0 "[ . 1]"
175 . 1 105 GLY N 1 105 GLY CA 1 105 GLY C 1 106 SER N -42.00 8.00 -28.83 -33.80 -38.54 0.12 1 0 "[ . 1]"
176 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 LYS N -9.00 31.00 -7.68 -6.67 -9.60 1.93 1 0 "[ . 1]"
177 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 SER N 18.00 58.00 57.92 59.05 58.81 4.71 4 0 "[ . 1]"
178 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 VAL N 118.00 180.00 144.10 138.35 152.61 . . 0 "[ . 1]"
179 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 ASP N 108.00 156.00 149.63 156.43 156.35 0.47 4 0 "[ . 1]"
180 . 1 110 ASP N 1 110 ASP CA 1 110 ASP C 1 111 GLY N 122.00 162.00 125.10 117.91 117.47 4.63 1 0 "[ . 1]"
181 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 ILE N 89.00 -143.00 128.28 119.01 117.08 . . 0 "[ . 1]"
182 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 ILE N 130.00 174.00 131.13 140.90 133.14 0.92 6 0 "[ . 1]"
183 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 ASP N 99.00 159.00 109.07 97.63 125.99 1.37 4 0 "[ . 1]"
184 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 SER N 84.00 152.00 124.11 92.30 154.39 2.39 7 0 "[ . 1]"
185 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 GLY N -55.00 9.00 -4.66 -29.37 -32.40 3.09 7 0 "[ . 1]"
186 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 ASP N 28.00 172.00 71.28 26.89 104.54 1.11 2 0 "[ . 1]"
187 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 LEU N -48.00 4.00 -22.18 -35.08 -7.56 . . 0 "[ . 1]"
188 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 HIS N -34.00 12.00 -19.46 -36.09 8.21 2.09 4 0 "[ . 1]"
189 . 1 121 MET N 1 121 MET CA 1 121 MET C 1 122 GLY N -57.00 -5.00 -34.28 -47.61 -48.92 0.81 5 0 "[ . 1]"
190 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 GLN N 98.00 158.00 125.97 152.64 132.54 0.05 4 0 "[ . 1]"
191 . 1 124 GLN N 1 124 GLN CA 1 124 GLN C 1 125 LYS N 119.00 177.00 145.45 130.83 117.63 1.55 8 0 "[ . 1]"
192 . 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 PHE N 108.00 168.00 151.17 139.80 136.98 4.91 8 0 "[ . 1]"
193 . 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 LYS N 120.00 160.00 156.14 145.12 163.16 3.16 8 0 "[ . 1]"
194 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 ALA N 116.00 170.00 136.78 131.94 131.59 . . 0 "[ . 1]"
195 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 ALA N 115.00 167.00 146.14 135.89 162.85 . . 0 "[ . 1]"
196 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 ILE N 107.00 147.00 132.45 133.88 130.83 . . 0 "[ . 1]"
197 . 1 130 ILE N 1 130 ILE CA 1 130 ILE C 1 131 ASP N 100.00 144.00 109.78 107.38 105.71 . . 0 "[ . 1]"
198 . 1 131 ASP N 1 131 ASP CA 1 131 ASP C 1 132 GLY N 84.00 160.00 85.86 80.20 105.27 3.80 5 0 "[ . 1]"
199 . 1 132 GLY N 1 132 GLY CA 1 132 GLY C 1 133 ASN N 125.00 -55.00 156.41 118.83 -118.80 6.17 6 5 "[ *- *+ *1]"
200 . 1 135 PHE N 1 135 PHE CA 1 135 PHE C 1 136 LYS N 139.00 179.00 148.15 139.00 153.16 0.00 10 0 "[ . 1]"
201 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 GLY N 113.00 155.00 131.63 112.63 140.59 0.37 7 0 "[ . 1]"
202 . 1 137 GLY N 1 137 GLY CA 1 137 GLY C 1 138 THR N 95.00 -159.00 -168.08 -169.68 169.30 4.27 10 0 "[ . 1]"
203 . 1 138 THR N 1 138 THR CA 1 138 THR C 1 139 TRP N 131.00 175.00 150.64 147.05 140.62 . . 0 "[ . 1]"
204 . 1 139 TRP N 1 139 TRP CA 1 139 TRP C 1 140 THR N 118.00 162.00 132.73 117.37 154.47 0.63 2 0 "[ . 1]"
205 . 1 145 GLY N 1 145 GLY CA 1 145 GLY C 1 146 ASP N 61.00 -143.00 148.74 -175.32 153.33 . . 0 "[ . 1]"
206 . 1 146 ASP N 1 146 ASP CA 1 146 ASP C 1 147 VAL N 129.00 -173.00 144.92 154.13 147.33 0.96 10 0 "[ . 1]"
207 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 SER N 101.00 171.00 138.32 115.37 167.15 . . 0 "[ . 1]"
208 . 1 148 SER N 1 148 SER CA 1 148 SER C 1 149 GLY N 132.00 -172.00 146.49 141.03 139.64 . . 0 "[ . 1]"
209 . 1 149 GLY N 1 149 GLY CA 1 149 GLY C 1 150 ARG N 135.00 -161.00 154.22 154.11 153.15 . . 0 "[ . 1]"
210 . 1 150 ARG N 1 150 ARG CA 1 150 ARG C 1 151 PHE N 134.00 174.00 145.50 135.62 153.15 . . 0 "[ . 1]"
211 . 1 151 PHE N 1 151 PHE CA 1 151 PHE C 1 152 TYR N 109.00 163.00 160.95 163.09 159.76 4.75 4 0 "[ . 1]"
212 . 1 152 TYR N 1 152 TYR CA 1 152 TYR C 1 153 GLY N 124.00 178.00 -176.52 -179.11 -171.95 10.05 7 6 "[* * . +*-*]"
213 . 1 153 GLY N 1 153 GLY CA 1 153 GLY C 1 154 PRO N 73.00 -151.00 170.83 153.64 -146.96 4.04 9 0 "[ . 1]"
214 . 1 155 ALA N 1 155 ALA CA 1 155 ALA C 1 156 GLY N -17.00 23.00 -9.52 -20.24 -20.49 5.79 9 1 "[ . +1]"
215 . 1 157 GLU N 1 157 GLU CA 1 157 GLU C 1 158 GLU N -53.00 -11.00 -11.86 -10.78 -14.40 2.63 10 0 "[ . 1]"
216 . 1 158 GLU N 1 158 GLU CA 1 158 GLU C 1 159 VAL N 120.00 176.00 133.10 125.05 146.72 . . 0 "[ . 1]"
217 . 1 159 VAL N 1 159 VAL CA 1 159 VAL C 1 160 ALA N 133.00 173.00 138.97 136.73 135.00 . . 0 "[ . 1]"
218 . 1 160 ALA N 1 160 ALA CA 1 160 ALA C 1 161 GLY N 132.00 172.00 135.97 131.34 139.59 0.66 2 0 "[ . 1]"
219 . 1 162 LYS N 1 162 LYS CA 1 162 LYS C 1 163 TYR N 140.00 180.00 160.66 169.11 163.01 . . 0 "[ . 1]"
220 . 1 163 TYR N 1 163 TYR CA 1 163 TYR C 1 164 SER N 135.00 175.00 143.07 133.21 161.56 1.79 10 0 "[ . 1]"
221 . 1 164 SER N 1 164 SER CA 1 164 SER C 1 165 TYR N 105.00 149.00 108.83 103.31 125.61 1.69 6 0 "[ . 1]"
222 . 1 165 TYR N 1 165 TYR CA 1 165 TYR C 1 166 ARG N 108.00 164.00 130.45 105.96 152.79 2.04 2 0 "[ . 1]"
223 . 1 172 LYS N 1 172 LYS CA 1 172 LYS C 1 173 GLY N 124.00 -174.00 144.76 123.02 -171.56 2.44 5 0 "[ . 1]"
224 . 1 173 GLY N 1 173 GLY CA 1 173 GLY C 1 174 GLY N 134.00 178.00 147.35 131.11 179.36 2.89 5 0 "[ . 1]"
225 . 1 175 PHE N 1 175 PHE CA 1 175 PHE C 1 176 GLY N 144.00 -176.00 165.27 163.45 159.37 2.61 7 0 "[ . 1]"
226 . 1 176 GLY N 1 176 GLY CA 1 176 GLY C 1 177 VAL N 15.00 75.00 76.49 71.23 78.17 3.17 10 0 "[ . 1]"
227 . 1 177 VAL N 1 177 VAL CA 1 177 VAL C 1 178 PHE N 139.00 -171.00 158.19 157.61 153.12 . . 0 "[ . 1]"
228 . 1 178 PHE N 1 178 PHE CA 1 178 PHE C 1 179 ALA N 138.00 178.00 156.61 147.74 162.69 . . 0 "[ . 1]"
229 . 1 179 ALA N 1 179 ALA CA 1 179 ALA C 1 180 GLY N 137.00 177.00 136.02 136.68 136.54 2.39 5 0 "[ . 1]"
230 . 1 181 LYS N 1 181 LYS CA 1 181 LYS C 1 182 LYS N 126.00 166.00 130.24 133.68 127.11 2.17 6 0 "[ . 1]"
231 . 1 182 LYS N 1 182 LYS CA 1 182 LYS C 1 183 GLU N 99.00 149.00 118.06 115.28 112.05 . . 0 "[ . 1]"
232 . 1 183 GLU N 1 183 GLU CA 1 183 GLU C 1 184 GLN N 114.00 158.00 114.95 118.06 114.12 2.21 9 0 "[ . 1]"
233 . 1 184 GLN N 1 184 GLN CA 1 184 GLN C 1 185 ASP N 81.00 -179.00 122.03 127.99 109.11 2.43 8 0 "[ . 1]"
234 . 1 186 LEU N 1 186 LEU CA 1 186 LEU C 1 187 GLU N -67.00 7.00 -32.57 -65.69 -3.17 . . 0 "[ . 1]"
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