NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645628 |
6qay   |
34341 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6qay
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 168
_TA_constraint_stats_list.Viol_count 390
_TA_constraint_stats_list.Viol_total 11902.18
_TA_constraint_stats_list.Viol_max 10.37
_TA_constraint_stats_list.Viol_rms 1.11
_TA_constraint_stats_list.Viol_average_all_restraints 0.31
_TA_constraint_stats_list.Viol_average_violations_only 2.03
_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 32 ASP C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -91.30 -31.30 -93.01 -94.92 -87.76 3.62 12 0 "[ . 1 .]"
2 . 1 33 GLN C 1 34 SER N 1 34 SER CA 1 34 SER C -98.32 -38.32 -73.36 -69.24 -74.73 3.83 12 0 "[ . 1 .]"
3 . 1 34 SER C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -128.72 -68.72 -118.06 -128.46 -97.54 . . 0 "[ . 1 .]"
4 . 1 36 LEU C 1 37 HIS N 1 37 HIS CA 1 37 HIS C -153.54 -72.38 -118.22 -119.62 -126.55 . . 0 "[ . 1 .]"
5 . 1 37 HIS C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -110.65 -50.65 -68.74 -68.60 -69.40 . . 0 "[ . 1 .]"
6 . 1 38 ILE C 1 39 SER N 1 39 SER CA 1 39 SER C -128.38 -68.38 -97.38 -92.42 -95.64 . . 0 "[ . 1 .]"
7 . 1 39 SER C 1 40 ASP N 1 40 ASP CA 1 40 ASP C 166.34 -107.28 -148.17 -163.64 -137.58 . . 0 "[ . 1 .]"
8 . 1 41 GLN C 1 42 THR N 1 42 THR CA 1 42 THR C -122.10 -25.76 -44.58 -48.90 -54.60 . . 0 "[ . 1 .]"
9 . 1 46 GLY C 1 47 THR N 1 47 THR CA 1 47 THR C -127.81 -43.33 -103.03 -128.90 -83.01 1.09 10 0 "[ . 1 .]"
10 . 1 47 THR C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -128.11 -68.11 -122.06 -129.61 -91.78 1.50 14 0 "[ . 1 .]"
11 . 1 48 VAL C 1 49 CYS N 1 49 CYS CA 1 49 CYS C -172.65 -96.05 -94.43 -95.98 -92.70 3.35 10 0 "[ . 1 .]"
12 . 1 49 CYS C 1 50 SER N 1 50 SER CA 1 50 SER C -148.58 -37.44 -148.00 -158.50 -36.70 9.92 5 13 "[****+**-*1** **]"
13 . 1 50 SER C 1 51 PRO N 1 51 PRO CA 1 51 PRO C -118.78 -22.46 -78.02 -86.90 -89.23 0.94 10 0 "[ . 1 .]"
14 . 1 51 PRO C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -167.28 -89.28 -154.38 -163.82 -140.55 . . 0 "[ . 1 .]"
15 . 1 52 PHE C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -164.51 -65.85 -85.64 -90.11 -93.23 . . 0 "[ . 1 .]"
16 . 1 54 LEU C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -178.02 -118.02 -141.96 -142.48 -142.72 . . 0 "[ . 1 .]"
17 . 1 55 PHE C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -172.46 -94.98 -139.59 -144.16 -135.05 . . 0 "[ . 1 .]"
18 . 1 56 ALA C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -153.66 -93.66 -114.48 -119.20 -109.93 . . 0 "[ . 1 .]"
19 . 1 57 VAL C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -157.81 -97.67 -106.69 -113.18 -103.66 . . 0 "[ . 1 .]"
20 . 1 58 LEU C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -159.64 -87.56 -100.49 -97.68 -100.35 . . 0 "[ . 1 .]"
21 . 1 59 GLU C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -148.68 -63.52 -81.58 -90.34 -67.69 . . 0 "[ . 1 .]"
22 . 1 61 THR C 1 62 GLY N 1 62 GLY CA 1 62 GLY C 58.16 118.16 116.44 93.73 122.24 4.08 8 0 "[ . 1 .]"
23 . 1 64 LYS C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -107.55 -42.63 -72.09 -98.71 -42.60 0.03 4 0 "[ . 1 .]"
24 . 1 68 SER C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -172.17 -72.95 -111.87 -102.32 -116.91 . . 0 "[ . 1 .]"
25 . 1 69 LYS C 1 70 TRP N 1 70 TRP CA 1 70 TRP C -132.11 -72.11 -74.97 -72.96 -77.68 1.53 7 0 "[ . 1 .]"
26 . 1 70 TRP C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -131.14 -71.14 -96.79 -105.85 -87.32 . . 0 "[ . 1 .]"
27 . 1 71 LYS C 1 72 TRP N 1 72 TRP CA 1 72 TRP C -165.25 -105.25 -126.87 -122.96 -125.41 . . 0 "[ . 1 .]"
28 . 1 72 TRP C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -170.67 -110.67 -137.33 -140.06 -151.18 . . 0 "[ . 1 .]"
29 . 1 73 GLU C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -155.13 -71.95 -90.41 -96.25 -87.00 . . 0 "[ . 1 .]"
30 . 1 74 LEU C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -143.77 -83.13 -112.66 -113.06 -114.99 . . 0 "[ . 1 .]"
31 . 1 75 HIS C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -151.98 -91.98 -95.05 -102.37 -91.48 0.50 5 0 "[ . 1 .]"
32 . 1 76 LYS C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -134.66 -48.40 -91.08 -88.74 -91.81 . . 0 "[ . 1 .]"
33 . 1 77 LEU C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -129.09 -46.75 -87.31 -107.62 -72.92 . . 0 "[ . 1 .]"
34 . 1 81 ARG C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -141.47 -50.67 -94.21 -133.27 -63.21 . . 0 "[ . 1 .]"
35 . 1 82 LYS C 1 83 PRO N 1 83 PRO CA 1 83 PRO C -103.37 -43.37 -50.96 -54.32 -55.66 . . 0 "[ . 1 .]"
36 . 1 84 LEU C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -167.65 -73.17 -120.59 -139.32 -101.46 . . 0 "[ . 1 .]"
37 . 1 85 LYS C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -121.36 -5.64 -87.59 -86.30 -87.54 . . 0 "[ . 1 .]"
38 . 1 86 ASP C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 61.54 121.54 124.20 122.19 127.57 6.03 6 2 "[ .+ - 1 .]"
39 . 1 87 GLY C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -132.86 -37.42 -104.66 -122.36 -93.59 . . 0 "[ . 1 .]"
40 . 1 89 VAL C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -126.64 -66.64 -106.74 -115.48 -99.92 . . 0 "[ . 1 .]"
41 . 1 90 ILE C 1 91 GLU N 1 91 GLU CA 1 91 GLU C 176.34 -123.66 -132.05 -140.16 -123.91 . . 0 "[ . 1 .]"
42 . 1 91 GLU C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -177.53 -116.19 -162.24 -164.84 -168.48 . . 0 "[ . 1 .]"
43 . 1 93 GLY C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -148.57 -38.27 -121.73 -132.00 -115.77 . . 0 "[ . 1 .]"
44 . 1 94 PHE C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -98.92 -38.20 -73.39 -86.83 -55.99 . . 0 "[ . 1 .]"
45 . 1 96 SER C 1 97 ASN N 1 97 ASN CA 1 97 ASN C -156.34 -24.32 -119.27 -156.54 -53.73 0.20 10 0 "[ . 1 .]"
46 . 1 98 GLN C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -142.29 -82.29 -88.22 -95.31 -82.22 0.07 4 0 "[ . 1 .]"
47 . 1 100 GLY C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -90.73 -21.25 -57.45 -55.59 -56.50 . . 0 "[ . 1 .]"
48 . 1 101 ASP C 1 102 SER N 1 102 SER CA 1 102 SER C -135.04 -65.20 -126.42 -120.35 -124.29 . . 0 "[ . 1 .]"
49 . 1 102 SER C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -171.12 -92.56 -138.49 -150.60 -128.93 . . 0 "[ . 1 .]"
50 . 1 103 LEU C 1 104 TYR N 1 104 TYR CA 1 104 TYR C -158.87 -98.87 -117.34 -116.09 -117.29 . . 0 "[ . 1 .]"
51 . 1 104 TYR C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -155.43 -95.43 -140.11 -140.22 -140.92 . . 0 "[ . 1 .]"
52 . 1 105 LYS C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -168.69 -108.69 -127.18 -116.09 -123.33 . . 0 "[ . 1 .]"
53 . 1 106 ILE C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -162.70 -102.70 -135.24 -129.58 -132.89 . . 0 "[ . 1 .]"
54 . 1 107 GLU C 1 108 THR N 1 108 THR CA 1 108 THR C -149.31 -24.89 -78.70 -74.48 -76.22 . . 0 "[ . 1 .]"
55 . 1 108 THR C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -115.53 -52.67 -71.70 -69.95 -73.35 . . 0 "[ . 1 .]"
56 . 1 111 LYS C 1 112 MET N 1 112 MET CA 1 112 MET C -144.64 -49.10 -92.34 -95.93 -97.01 . . 0 "[ . 1 .]"
57 . 1 112 MET C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -157.58 -50.96 -80.94 -108.23 -67.27 . . 0 "[ . 1 .]"
58 . 1 113 LYS C 1 114 PRO N 1 114 PRO CA 1 114 PRO C -94.64 -34.64 -51.44 -49.88 -51.45 . . 0 "[ . 1 .]"
59 . 1 115 GLY C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -169.36 -67.30 -102.13 -109.67 -93.46 . . 0 "[ . 1 .]"
60 . 1 116 ILE C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -159.47 -99.47 -130.84 -136.01 -127.69 . . 0 "[ . 1 .]"
61 . 1 117 TYR C 1 118 ALA N 1 118 ALA CA 1 118 ALA C 177.30 -122.70 -157.27 -158.29 -159.70 . . 0 "[ . 1 .]"
62 . 1 118 ALA C 1 119 PHE N 1 119 PHE CA 1 119 PHE C -159.72 -99.72 -98.92 -99.31 -98.48 1.24 3 0 "[ . 1 .]"
63 . 1 119 PHE C 1 120 LYS N 1 120 LYS CA 1 120 LYS C -159.46 -99.46 -108.68 -113.57 -103.10 . . 0 "[ . 1 .]"
64 . 1 120 LYS C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -142.21 -82.21 -101.04 -98.34 -99.10 . . 0 "[ . 1 .]"
65 . 1 123 LYS C 1 124 PRO N 1 124 PRO CA 1 124 PRO C -99.68 -39.68 -57.62 -55.68 -57.68 . . 0 "[ . 1 .]"
66 . 1 124 PRO C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -92.83 -32.83 -58.62 -64.56 -54.15 . . 0 "[ . 1 .]"
67 . 1 125 ALA C 1 126 GLY N 1 126 GLY CA 1 126 GLY C 51.38 111.38 110.50 111.47 107.06 1.51 8 0 "[ . 1 .]"
68 . 1 126 GLY C 1 127 TYR N 1 127 TYR CA 1 127 TYR C -111.00 -51.00 -82.44 -103.69 -66.79 . . 0 "[ . 1 .]"
69 . 1 127 TYR C 1 128 PRO N 1 128 PRO CA 1 128 PRO C -99.39 -39.39 -61.71 -72.03 -52.53 . . 0 "[ . 1 .]"
70 . 1 128 PRO C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -154.47 -58.15 -79.74 -107.64 -59.81 . . 0 "[ . 1 .]"
71 . 1 130 ASN C 1 131 GLY N 1 131 GLY CA 1 131 GLY C 52.42 112.42 98.85 78.92 113.35 0.93 3 0 "[ . 1 .]"
72 . 1 132 SER C 1 133 THR N 1 133 THR CA 1 133 THR C -117.58 -57.58 -97.69 -94.31 -97.51 1.74 10 0 "[ . 1 .]"
73 . 1 133 THR C 1 134 PHE N 1 134 PHE CA 1 134 PHE C 177.03 -94.35 -103.22 -95.15 -95.70 1.65 9 0 "[ . 1 .]"
74 . 1 134 PHE C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -170.03 -99.27 -133.49 -144.67 -121.59 . . 0 "[ . 1 .]"
75 . 1 135 GLU C 1 136 TRP N 1 136 TRP CA 1 136 TRP C -147.03 -87.03 -94.82 -100.62 -87.35 . . 0 "[ . 1 .]"
76 . 1 136 TRP C 1 137 SER N 1 137 SER CA 1 137 SER C -165.30 -55.98 -80.11 -94.24 -70.02 . . 0 "[ . 1 .]"
77 . 1 138 GLU C 1 139 PRO N 1 139 PRO CA 1 139 PRO C -93.98 -33.98 -69.90 -81.56 -56.35 . . 0 "[ . 1 .]"
78 . 1 139 PRO C 1 140 MET N 1 140 MET CA 1 140 MET C -150.74 -73.32 -93.83 -100.54 -86.40 . . 0 "[ . 1 .]"
79 . 1 140 MET C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -134.50 -74.50 -111.51 -117.14 -101.33 . . 0 "[ . 1 .]"
80 . 1 141 ARG C 1 142 LEU N 1 142 LEU CA 1 142 LEU C -145.93 -85.93 -91.23 -95.84 -108.76 0.08 9 0 "[ . 1 .]"
81 . 1 142 LEU C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -164.56 -74.60 -114.52 -100.02 -105.40 . . 0 "[ . 1 .]"
82 . 1 143 ALA C 1 144 LYS N 1 144 LYS CA 1 144 LYS C -139.21 -64.77 -117.30 -134.72 -138.93 2.15 11 0 "[ . 1 .]"
83 . 1 144 LYS C 1 145 CYS N 1 145 CYS CA 1 145 CYS C -153.70 -93.70 -122.11 -100.37 -110.24 0.64 13 0 "[ . 1 .]"
84 . 1 145 CYS C 1 146 ASP N 1 146 ASP CA 1 146 ASP C -143.53 -53.37 -92.67 -127.10 -76.13 . . 0 "[ . 1 .]"
85 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 SER N -49.98 10.02 13.31 13.59 13.34 5.72 11 2 "[ . 1+ -]"
86 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 ASP N -59.13 1.53 -27.04 -60.01 4.38 2.85 4 0 "[ . 1 .]"
87 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 LEU N -24.86 35.14 38.99 38.85 38.62 5.33 8 1 "[ . + 1 .]"
88 . 1 37 HIS N 1 37 HIS CA 1 37 HIS C 1 38 ILE N 98.19 160.99 135.84 129.72 146.56 . . 0 "[ . 1 .]"
89 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 SER N 96.35 156.35 102.39 97.19 96.33 0.73 1 0 "[ . 1 .]"
90 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 ASP N -66.39 -6.39 -24.75 -37.69 -15.18 . . 0 "[ . 1 .]"
91 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 GLN N 136.23 -163.77 167.40 166.53 161.70 . . 0 "[ . 1 .]"
92 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 ASP N 101.64 161.64 131.53 127.64 125.86 . . 0 "[ . 1 .]"
93 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 VAL N 95.25 155.25 109.98 104.62 100.60 1.15 1 0 "[ . 1 .]"
94 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 CYS N 98.15 158.15 145.31 141.60 137.94 0.64 10 0 "[ . 1 .]"
95 . 1 49 CYS N 1 49 CYS CA 1 49 CYS C 1 50 SER N 125.23 -174.77 124.65 114.86 -170.33 10.37 2 13 "[*+*******1** -*]"
96 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 PRO N 106.21 166.21 134.16 112.26 159.36 . . 0 "[ . 1 .]"
97 . 1 51 PRO N 1 51 PRO CA 1 51 PRO C 1 52 PHE N 109.65 174.03 109.11 104.99 132.48 4.66 9 0 "[ . 1 .]"
98 . 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 ALA N 97.82 157.82 150.87 151.33 150.29 . . 0 "[ . 1 .]"
99 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 LEU N 62.39 175.67 123.61 147.22 135.19 . . 0 "[ . 1 .]"
100 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 ALA N 133.78 -166.22 159.47 157.66 156.32 . . 0 "[ . 1 .]"
101 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 VAL N 106.76 170.16 142.83 139.78 137.39 . . 0 "[ . 1 .]"
102 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 LEU N 100.62 160.62 122.26 117.09 127.13 . . 0 "[ . 1 .]"
103 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 GLU N 110.56 170.56 122.79 115.92 127.97 . . 0 "[ . 1 .]"
104 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 ASN N 104.90 164.90 134.48 135.15 134.12 . . 0 "[ . 1 .]"
105 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 THR N 92.76 152.76 104.49 104.80 102.60 0.20 12 0 "[ . 1 .]"
106 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 GLU N -39.55 45.97 -33.79 -38.08 -39.59 2.16 15 0 "[ . 1 .]"
107 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 LYS N 98.03 158.03 99.11 96.29 113.37 1.74 8 0 "[ . 1 .]"
108 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 TRP N 84.69 144.69 137.20 125.79 145.12 0.43 1 0 "[ . 1 .]"
109 . 1 70 TRP N 1 70 TRP CA 1 70 TRP C 1 71 LYS N 86.50 146.50 135.32 129.15 146.61 0.11 7 0 "[ . 1 .]"
110 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 TRP N 101.49 161.49 132.24 124.73 138.95 . . 0 "[ . 1 .]"
111 . 1 72 TRP N 1 72 TRP CA 1 72 TRP C 1 73 GLU N 131.03 -168.97 153.63 149.63 158.60 . . 0 "[ . 1 .]"
112 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 LEU N 109.85 169.85 135.13 135.40 134.05 . . 0 "[ . 1 .]"
113 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 HIS N 93.00 153.00 126.08 119.72 135.13 . . 0 "[ . 1 .]"
114 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 LYS N 105.76 165.76 145.44 138.93 151.60 . . 0 "[ . 1 .]"
115 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 LEU N 95.04 155.04 102.97 94.01 122.99 1.03 8 0 "[ . 1 .]"
116 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 GLU N 117.59 -157.55 141.05 143.09 140.63 . . 0 "[ . 1 .]"
117 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ASN N -55.47 5.77 -11.25 -7.02 -11.78 0.41 12 0 "[ . 1 .]"
118 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 PRO N 86.84 160.66 161.44 162.09 161.60 2.75 3 0 "[ . 1 .]"
119 . 1 83 PRO N 1 83 PRO CA 1 83 PRO C 1 84 LEU N 121.10 -178.90 125.87 123.39 121.08 0.59 1 0 "[ . 1 .]"
120 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 ASP N 132.33 -167.67 151.23 143.18 161.19 . . 0 "[ . 1 .]"
121 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 GLY N 102.60 162.60 164.48 159.79 167.78 5.18 6 2 "[ .+ - 1 .]"
122 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 ASN N -38.48 21.52 -36.62 -23.52 -30.85 1.46 9 0 "[ . 1 .]"
123 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 VAL N 107.55 167.55 108.03 105.09 130.54 2.46 8 0 "[ . 1 .]"
124 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 GLU N -67.82 -7.82 -50.77 -47.94 -49.34 . . 0 "[ . 1 .]"
125 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 LYS N 128.24 -171.76 155.52 157.42 156.76 . . 0 "[ . 1 .]"
126 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 GLY N 130.89 -169.11 158.22 145.13 172.54 . . 0 "[ . 1 .]"
127 . 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 VAL N 119.95 -169.67 154.65 149.13 160.96 . . 0 "[ . 1 .]"
128 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 SER N -65.81 -5.81 -33.27 -3.84 -66.94 5.00 13 0 "[ . 1 .]"
129 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 GLN N 82.88 142.88 107.62 94.29 131.50 . . 0 "[ . 1 .]"
130 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 GLY N -36.88 23.12 -15.25 -21.87 -8.90 . . 0 "[ . 1 .]"
131 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 SER N -66.26 4.32 -35.85 -50.48 -28.83 . . 0 "[ . 1 .]"
132 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 LEU N -52.64 48.56 31.11 21.02 39.35 . . 0 "[ . 1 .]"
133 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 TYR N 116.65 176.65 126.93 121.21 133.98 . . 0 "[ . 1 .]"
134 . 1 104 TYR N 1 104 TYR CA 1 104 TYR C 1 105 LYS N 113.81 173.81 156.53 148.89 159.82 . . 0 "[ . 1 .]"
135 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 ILE N 101.86 161.86 142.32 133.68 145.65 . . 0 "[ . 1 .]"
136 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 GLU N 101.15 -175.35 136.01 111.69 154.58 . . 0 "[ . 1 .]"
137 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 THR N 120.12 -179.88 154.80 144.06 164.10 . . 0 "[ . 1 .]"
138 . 1 108 THR N 1 108 THR CA 1 108 THR C 1 109 LYS N 101.08 -178.36 141.75 133.20 155.08 . . 0 "[ . 1 .]"
139 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 LYS N -54.61 6.93 -21.85 -40.03 -6.05 . . 0 "[ . 1 .]"
140 . 1 112 MET N 1 112 MET CA 1 112 MET C 1 113 LYS N 99.41 -172.73 159.95 140.93 -172.76 . . 0 "[ . 1 .]"
141 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 PRO N 80.51 -168.07 163.50 157.43 -178.80 . . 0 "[ . 1 .]"
142 . 1 114 PRO N 1 114 PRO CA 1 114 PRO C 1 115 GLY N 117.62 177.62 134.78 119.86 151.10 . . 0 "[ . 1 .]"
143 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 TYR N 98.16 158.16 127.48 131.03 129.38 . . 0 "[ . 1 .]"
144 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 ALA N 131.03 -168.97 154.75 150.76 158.71 . . 0 "[ . 1 .]"
145 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 PHE N 115.19 -161.55 155.22 156.30 155.33 . . 0 "[ . 1 .]"
146 . 1 119 PHE N 1 119 PHE CA 1 119 PHE C 1 120 LYS N 104.17 164.17 127.40 127.44 126.73 . . 0 "[ . 1 .]"
147 . 1 120 LYS N 1 120 LYS CA 1 120 LYS C 1 121 VAL N 97.93 157.93 102.18 99.47 97.90 0.72 12 0 "[ . 1 .]"
148 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 TYR N 96.81 156.81 136.01 136.69 136.29 . . 0 "[ . 1 .]"
149 . 1 124 PRO N 1 124 PRO CA 1 124 PRO C 1 125 ALA N 124.08 -175.92 142.02 146.65 146.28 . . 0 "[ . 1 .]"
150 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 GLY N 105.38 165.38 124.20 108.82 132.39 . . 0 "[ . 1 .]"
151 . 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 TYR N -30.87 29.13 -19.15 -17.84 -19.12 . . 0 "[ . 1 .]"
152 . 1 127 TYR N 1 127 TYR CA 1 127 TYR C 1 128 PRO N 106.47 166.47 123.80 123.24 122.45 . . 0 "[ . 1 .]"
153 . 1 128 PRO N 1 128 PRO CA 1 128 PRO C 1 129 ALA N 118.74 178.74 125.00 138.55 126.46 1.63 6 0 "[ . 1 .]"
154 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 ASN N 74.86 168.64 109.85 83.81 77.89 0.56 1 0 "[ . 1 .]"
155 . 1 131 GLY N 1 131 GLY CA 1 131 GLY C 1 132 SER N -27.46 32.54 2.11 -29.68 35.13 2.59 9 0 "[ . 1 .]"
156 . 1 133 THR N 1 133 THR CA 1 133 THR C 1 134 PHE N -70.80 10.20 4.58 -33.66 12.61 2.41 14 0 "[ . 1 .]"
157 . 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 GLU N 108.98 -177.82 147.49 151.87 148.55 . . 0 "[ . 1 .]"
158 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 TRP N 117.92 177.92 121.06 118.77 117.86 0.97 1 0 "[ . 1 .]"
159 . 1 136 TRP N 1 136 TRP CA 1 136 TRP C 1 137 SER N 109.06 169.06 141.00 148.58 142.63 . . 0 "[ . 1 .]"
160 . 1 137 SER N 1 137 SER CA 1 137 SER C 1 138 GLU N 110.69 -154.25 159.35 146.30 140.63 . . 0 "[ . 1 .]"
161 . 1 139 PRO N 1 139 PRO CA 1 139 PRO C 1 140 MET N 114.67 174.67 113.71 113.73 113.67 2.36 9 0 "[ . 1 .]"
162 . 1 140 MET N 1 140 MET CA 1 140 MET C 1 141 ARG N 102.78 162.78 137.83 144.37 141.02 . . 0 "[ . 1 .]"
163 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 LEU N 94.40 154.40 109.68 103.77 124.62 . . 0 "[ . 1 .]"
164 . 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 ALA N 98.00 158.00 112.71 92.59 146.42 5.41 7 1 "[ . + 1 .]"
165 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 LYS N 108.07 168.75 142.00 164.03 160.82 1.89 4 0 "[ . 1 .]"
166 . 1 144 LYS N 1 144 LYS CA 1 144 LYS C 1 145 CYS N 93.17 153.17 96.49 92.80 92.26 2.99 11 0 "[ . 1 .]"
167 . 1 145 CYS N 1 145 CYS CA 1 145 CYS C 1 146 ASP N 120.99 -179.01 121.95 118.17 135.90 2.82 2 0 "[ . 1 .]"
168 . 1 146 ASP N 1 146 ASP CA 1 146 ASP C 1 147 GLU N 85.96 157.58 90.10 103.85 85.56 1.96 3 0 "[ . 1 .]"
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