Secondary structure calculation program - copyright by David Keith Smith, 1989
1qrjB.pdb
1QRJ VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 199
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 B 16 GLN Q h > > T 0 0 999.9 163.4 180.0 999.9 999.9 999.9 0 0.0 5 -1.8 0 0.0 4 -0.9 4 22
2 B 17 MET M H H > 3 T + 0 0 -43.7 -29.9 -180.0 63.1 999.9 39.6 0 0.0 6 -2.5 0 0.0 0 0.0 5 24
3 B 18 LYS K H H > 3 TS+ 0 0 -61.1 -56.0 -179.9 47.0 101.3 14.6 0 0.0 7 -3.1 0 0.0 0 0.0 6 20
4 B 19 ASP D H H > < TS+ 0 0 -50.6 -52.0 180.0 46.4 115.2 21.6 1 -0.9 8 -2.5 0 0.0 0 0.0 7 31
5 B 20 LEU L H H X TS+ 0 0 -58.7 -38.1 180.0 54.6 111.4 29.7 1 -1.8 9 -3.1 0 0.0 0 0.0 9 38
6 B 21 GLN Q H H X TS+ 0 0 -59.9 -55.2 -180.0 46.3 107.9 16.2 2 -2.5 10 -1.9 0 0.0 0 0.0 8 28
7 B 22 ALA A H H X TS+ 0 0 -54.6 -41.6 179.9 51.3 113.7 27.6 3 -3.1 11 -2.8 0 0.0 0 0.0 8 30
8 B 23 ILE I H H X TS+ 0 0 -60.7 -50.7 180.0 51.1 107.1 19.0 4 -2.5 12 -2.6 0 0.0 0 0.0 11 40
9 B 24 LYS K H H X TS+ 0 0 -56.3 -30.3 -180.0 48.1 114.9 36.1 5 -3.1 13 -2.4 0 0.0 0 0.0 9 40
10 B 25 GLN Q H H X TS+ 0 0 -72.8 -72.5 180.0 41.8 111.9 7.2 6 -1.9 14 -2.0 0 0.0 0 0.0 8 31
11 B 26 GLU E H H X TS+ 0 0 -45.1 -31.5 180.0 51.0 119.8 37.7 7 -2.8 15 -1.0 0 0.0 0 0.0 10 32
12 B 27 VAL V H H < > TS+ 0 0 -71.8 -54.9 180.0 58.0 101.0 15.6 8 -2.6 15 -1.1 0 0.0 0 0.0 12 41
13 B 28 SER S H H < 3 TS+ 0 0 -40.7 -48.0 180.0 54.4 104.3 29.6 9 -2.4 0 0.0 0 0.0 0 0.0 9 39
14 B 29 GLN Q H H < 3 TS+ 0 0 -54.8 -43.3 -180.0 84.8 96.2 26.9 10 -2.0 0 0.0 0 0.0 0 0.0 6 29
15 B 30 ALA A S h < < TS- 0 0 -52.6 170.9 -180.0 -118.4 82.3 86.8 12 -1.1 0 0.0 11 -1.0 0 0.0 11 32
16 B 31 ALA A - 0 0 -115.0 163.4 180.0 -92.0 29.3 138.2 0 0.0 18 -2.4 0 0.0 0 0.0 11 35
17 B 32 PRO P S S S+ 0 0 -75.0 74.7 -180.0 8.2 121.9 118.3 0 0.0 0 0.0 0 0.0 0 0.0 10 37
18 B 33 GLY G S S S+ 0 0 142.8 -26.1 -179.9 124.3 96.8 88.6 16 -2.4 0 0.0 0 0.0 0 0.0 8 29
19 B 34 SER S S t > TS- 0 0 -65.2 141.2 180.0 -116.7 72.1 111.3 0 0.0 21 -2.5 0 0.0 22 -1.0 7 25
20 B 35 PRO P T T 3 TS+ 0 0 -74.9 51.8 180.0 81.1 100.6 104.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
21 B 36 GLN Q T h > 3 TS+ 0 0 -120.9 -44.8 180.0 50.0 83.3 48.6 19 -2.5 25 -2.1 0 0.0 0 0.0 9 30
22 B 37 PHE F H H > < TS+ 0 0 -61.3 -61.6 -180.0 42.5 114.7 10.9 19 -1.0 26 -1.2 0 0.0 0 0.0 16 42
23 B 38 MET M H H > > TS+ 0 0 -52.1 -45.1 -180.0 54.8 113.1 26.8 0 0.0 27 -1.5 0 0.0 26 -0.8 11 48
24 B 39 GLN Q H H > 3 TS+ 0 0 -55.9 -44.1 180.0 56.9 102.1 26.1 0 0.0 28 -2.0 0 0.0 0 0.0 8 38
25 B 40 THR T H H X 3 TS+ 0 0 -57.6 -30.2 -179.9 56.3 103.1 36.9 21 -2.1 29 -1.2 0 0.0 0 0.0 11 45
26 B 41 ILE I H H X < TS+ 0 0 -68.4 -42.8 180.0 46.0 107.7 25.6 22 -1.2 30 -2.2 23 -0.8 0 0.0 10 58
27 B 42 ARG R H H X TS+ 0 0 -69.3 -29.1 -180.0 59.3 107.2 37.7 23 -1.5 31 -1.9 0 0.0 0 0.0 10 42
28 B 43 LEU L H H < TS+ 0 0 -67.8 -32.1 180.0 40.7 111.3 34.6 24 -2.0 0 0.0 0 0.0 0 0.0 8 33
29 B 44 ALA A H H X >TS+ 0 0 -83.1 -36.1 180.0 50.5 115.0 34.2 25 -1.2 34 -2.4 0 0.0 33 -1.5 11 41
30 B 45 VAL V H H < 5TS+ 0 0 -71.9 -25.0 -180.0 41.5 117.5 41.1 26 -2.2 0 0.0 0 0.0 0 0.0 10 43
31 B 46 GLN Q T h < 5TS+ 0 0 -95.5 -14.4 -180.0 55.5 114.4 54.9 27 -1.9 0 0.0 0 0.0 0 0.0 7 27
32 B 47 GLN Q T T 4 5TS- 0 0 -79.4 -76.1 180.0 -22.0 139.2 14.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
33 B 48 PHE F T T < 5TS- 0 0 -110.2 -22.4 180.0 -125.5 87.6 52.8 29 -1.5 0 0.0 0 0.0 0 0.0 6 29
34 B 49 ASP D t T - 0 0 -56.0 164.9 180.0 -90.6 35.0 91.7 34 -0.5 40 -2.5 0 0.0 0 0.0 11 45
37 B 52 ALA A H H > TS+ 0 0 -46.3 -36.3 -180.0 54.7 132.2 33.5 0 0.0 41 -2.5 0 0.0 0 0.0 13 49
38 B 53 LYS K H H > TS+ 0 0 -62.3 -59.1 -180.0 45.5 107.1 11.7 0 0.0 42 -1.9 0 0.0 0 0.0 9 39
39 B 54 ASP D H H > TS+ 0 0 -54.7 -27.8 180.0 56.1 112.6 38.2 0 0.0 43 -3.2 0 0.0 0 0.0 8 45
40 B 55 LEU L H H X TS+ 0 0 -70.2 -47.0 -180.0 54.4 101.4 22.1 36 -2.5 44 -1.8 0 0.0 0 0.0 10 57
41 B 56 GLN Q H H X TS+ 0 0 -52.1 -48.2 -180.0 35.5 118.4 24.1 37 -2.5 45 -1.6 0 0.0 0 0.0 8 48
42 B 57 ASP D H H < TS+ 0 0 -70.6 -54.0 -180.0 57.4 112.3 16.3 38 -1.9 0 0.0 0 0.0 0 0.0 8 38
43 B 58 LEU L H H X TS+ 0 0 -48.1 -24.4 180.0 53.0 108.4 41.3 39 -3.2 47 -1.5 0 0.0 0 0.0 9 54
44 B 59 LEU L H H X TS+ 0 0 -77.0 -50.0 180.0 37.1 114.1 21.3 40 -1.8 48 -1.0 0 0.0 0 0.0 10 56
45 B 60 GLN Q H H < TS+ 0 0 -89.1 22.2 180.0 55.3 119.1 84.8 41 -1.6 0 0.0 0 0.0 0 0.0 10 33
46 B 61 TYR Y H H 4 TS+ 0 0 -120.2 -36.1 179.9 27.4 116.0 50.0 0 0.0 0 0.0 0 0.0 0 0.0 7 39
47 B 62 LEU L H H < TS+ 0 0 -92.0 -62.0 -180.0 33.7 125.1 24.6 43 -1.5 0 0.0 0 0.0 0 0.0 8 53
48 B 63 CYS C S h < TS- 0 0 -86.5 179.1 -180.0 -102.1 90.4 104.1 44 -1.0 0 0.0 0 0.0 0 0.0 11 48
49 B 64 SER S h > T - 0 0 -86.8 -162.6 180.0 -91.4 39.0 88.6 0 0.0 53 -1.3 0 0.0 0 0.0 9 29
50 B 65 SER S H H > TS+ 0 0 -81.8 -37.2 -180.0 57.4 121.3 32.9 0 0.0 54 -2.0 0 0.0 0 0.0 7 24
51 B 66 LEU L H H > > TS+ 0 0 -56.0 -62.4 -180.0 40.8 111.0 11.9 0 0.0 55 -2.5 0 0.0 54 -0.6 6 29
52 B 67 VAL V H H > 3 TS+ 0 0 -51.2 -52.4 -180.0 55.2 112.8 21.1 0 0.0 56 -3.4 0 0.0 0 0.0 10 36
53 B 68 ALA A H H X 3 TS+ 0 0 -49.7 -36.1 -180.0 48.2 110.1 32.7 49 -1.3 57 -1.6 0 0.0 0 0.0 11 37
54 B 69 SER S H H X < TS+ 0 0 -71.8 -41.7 180.0 49.7 110.6 26.9 50 -2.0 58 -1.3 51 -0.6 0 0.0 8 31
55 B 70 LEU L H H X > TS+ 0 0 -61.6 -49.0 -179.9 46.1 112.9 20.3 51 -2.5 59 -1.8 0 0.0 58 -0.7 9 31
56 B 71 HIS H H H X 3 TS+ 0 0 -61.8 -34.9 180.0 63.8 104.3 32.4 52 -3.4 60 -3.6 0 0.0 0 0.0 12 43
57 B 72 HIS H H H X 3 TS+ 0 0 -56.9 -36.2 180.0 47.4 104.6 31.6 53 -1.6 61 -1.9 0 0.0 0 0.0 9 39
58 B 73 GLN Q H H X < TS+ 0 0 -69.8 -53.6 180.0 44.8 113.4 16.7 54 -1.3 62 -2.7 55 -0.7 0 0.0 8 28
59 B 74 GLN Q H H X TS+ 0 0 -56.6 -45.1 180.0 51.4 113.7 24.9 55 -1.8 63 -2.2 0 0.0 0 0.0 10 32
60 B 75 LEU L H H X TS+ 0 0 -58.1 -45.9 -180.0 51.1 109.3 23.5 56 -3.6 64 -2.9 0 0.0 0 0.0 12 41
61 B 76 ASP D H H X TS+ 0 0 -55.4 -57.6 179.9 43.9 112.5 15.4 57 -1.9 65 -3.1 0 0.0 0 0.0 8 36
62 B 77 SER S H H X TS+ 0 0 -57.9 -29.3 180.0 56.9 113.5 37.2 58 -2.7 66 -1.2 0 0.0 0 0.0 8 28
63 B 78 LEU L H H X > TS+ 0 0 -64.7 -68.2 179.9 37.5 110.7 3.4 59 -2.2 66 -1.6 0 0.0 67 -1.3 10 34
64 B 79 ILE I H H X > TS+ 0 0 -50.1 -44.0 180.0 65.7 109.4 27.2 60 -2.9 68 -2.6 0 0.0 67 -0.7 8 43
65 B 80 SER S H H X 3 TS+ 0 0 -46.3 -40.2 179.9 45.4 104.1 31.5 61 -3.1 69 -1.5 0 0.0 0 0.0 8 31
66 B 81 GLU E H H X < TS+ 0 0 -74.5 -29.3 180.0 55.7 110.6 38.1 63 -1.6 70 -2.8 62 -1.2 0 0.0 8 25
67 B 82 ALA A H H X < TS+ 0 0 -65.7 -60.8 180.0 42.1 109.8 9.9 63 -1.3 71 -0.7 64 -0.7 0 0.0 9 34
68 B 83 GLU E H H < TS+ 0 0 -53.8 -38.8 180.0 50.7 117.4 30.5 64 -2.6 0 0.0 0 0.0 0 0.0 9 30
69 B 84 THR T H H < TS+ 0 0 -65.2 -48.1 180.0 42.9 113.0 21.4 65 -1.5 0 0.0 0 0.0 0 0.0 7 17
70 B 85 ARG R H H < TS- 0 0 -77.3 0.1 180.0 -104.5 127.8 63.8 66 -2.8 0 0.0 0 0.0 0 0.0 6 19
71 B 86 GLY G h < T - 0 0 73.3 93.0 -180.0 -118.4 34.1 20.6 67 -0.7 0 0.0 0 0.0 0 0.0 6 20
72 B 87 ILE I - 0 0 -58.0 151.6 180.0 -103.7 29.7 101.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
73 B 88 THR T S S S- 0 0 -38.6 -84.8 180.0 -18.7 99.4 24.5 0 0.0 0 0.0 0 0.0 0 0.0 6 27
74 B 89 GLY G S S S+ 0 0 -129.2 60.3 180.0 162.0 87.9 118.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
75 B 90 TYR Y - 0 0 -82.2 148.5 180.0 -139.3 33.6 121.5 0 0.0 0 0.0 0 0.0 0 0.0 10 34
76 B 91 ASN N t > T + 0 0 -112.5 96.2 -180.0 168.3 27.0 149.8 0 0.0 80 -1.1 0 0.0 0 0.0 8 31
77 B 92 PRO P T T 4 TS+ 0 0 -74.9 -28.5 -179.9 69.8 74.3 39.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
78 B 93 LEU L T T 4 TS+ 0 0 -56.7 -34.1 179.9 51.8 99.1 33.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
79 B 94 ALA A T T 4 TS- 0 0 -65.3 -64.6 180.0 -148.9 93.4 6.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
80 B 95 GLY G t < T + 0 0 124.1 -49.1 180.0 93.2 62.2 109.7 76 -1.1 0 0.0 0 0.0 0 0.0 6 20
81 B 96 PRO P - 0 0 -75.0 160.7 -180.0 -175.1 45.2 108.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
82 B 97 LEU L S h > TS+ 0 0 -120.8 -48.6 -180.0 51.9 82.9 48.5 0 0.0 86 -0.9 0 0.0 0 0.0 8 46
83 B 98 ARG R H H > TS+ 0 0 -65.8 -16.7 179.9 60.0 108.2 47.9 0 0.0 87 -1.0 0 0.0 0 0.0 10 48
84 B 99 VAL V H H 4 > TS+ 0 0 -73.7 -62.8 180.0 34.2 110.6 10.9 0 0.0 87 -0.9 0 0.0 0 0.0 8 33
85 B 100 GLN Q H H 4 3 TS+ 0 0 -69.3 -6.8 180.0 65.3 114.3 56.7 0 0.0 0 0.0 0 0.0 0 0.0 12 34
86 B 101 ALA A H H < 3 TS+ 0 0 -83.2 -33.7 180.0 45.1 101.5 35.9 82 -0.9 0 0.0 0 0.0 0 0.0 13 42
87 B 102 ASN N S h < < TS+ 0 0 -93.2 14.6 -180.0 116.0 94.2 79.0 83 -1.0 0 0.0 84 -0.9 0 0.0 11 35
88 B 103 ASN N - 0 0 -85.5 150.1 180.0 -138.9 67.1 124.1 0 0.0 0 0.0 0 0.0 0 0.0 9 30
89 B 104 PRO P S S S+ 0 0 -75.1 -34.2 -180.0 47.4 104.7 34.0 0 0.0 0 0.0 0 0.0 0 0.0 5 26
90 B 105 GLN Q S S S+ 0 0 -71.3 -49.3 -180.0 62.5 103.4 20.6 0 0.0 92 -2.2 0 0.0 0 0.0 4 20
91 B 106 GLN Q + 0 0 -79.9 74.4 -179.9 143.8 59.2 121.1 0 0.0 0 0.0 0 0.0 0 0.0 12 27
92 B 107 GLN Q h > T + 0 0 -86.0 -16.7 -179.9 64.4 63.7 51.0 90 -2.2 96 -1.9 0 0.0 0 0.0 9 28
93 B 108 GLY G H H > TS+ 0 0 -69.4 -58.3 180.0 33.2 109.8 12.8 0 0.0 97 -1.7 0 0.0 0 0.0 8 32
94 B 109 LEU L H H > TS+ 0 0 -71.0 -18.5 180.0 67.1 114.1 46.6 0 0.0 98 -2.5 0 0.0 0 0.0 13 44
95 B 110 ARG R H H > TS+ 0 0 -65.1 -56.4 -180.0 33.9 107.6 14.2 0 0.0 99 -1.7 0 0.0 0 0.0 14 40
96 B 111 ARG R H H X TS+ 0 0 -69.0 -30.0 -180.0 57.3 117.7 36.9 92 -1.9 100 -1.5 0 0.0 0 0.0 8 41
97 B 112 GLU E H H X TS+ 0 0 -66.9 -42.6 -180.0 48.6 106.0 26.0 93 -1.7 101 -3.5 0 0.0 0 0.0 8 46
98 B 113 TYR Y H H X TS+ 0 0 -64.1 -41.9 180.0 56.3 106.7 26.9 94 -2.5 102 -2.5 0 0.0 0 0.0 11 56
99 B 114 GLN Q H H X TS+ 0 0 -57.3 -40.5 180.0 35.9 117.2 28.5 95 -1.7 103 -1.6 0 0.0 0 0.0 13 52
100 B 115 GLN Q H H X TS+ 0 0 -76.6 -59.4 -180.0 50.7 115.6 14.4 96 -1.5 104 -2.3 0 0.0 0 0.0 8 47
101 B 116 LEU L H H X TS+ 0 0 -47.4 -33.6 -180.0 53.5 111.8 35.1 97 -3.5 105 -1.9 0 0.0 0 0.0 10 48
102 B 117 TRP W H H X TS+ 0 0 -66.6 -52.5 -180.0 48.5 106.4 16.5 98 -2.5 106 -1.9 0 0.0 0 0.0 10 60
103 B 118 LEU L H H X TS+ 0 0 -57.7 -26.0 -180.0 62.1 107.3 39.4 99 -1.6 107 -2.0 0 0.0 0 0.0 11 56
104 B 119 ALA A H H X > TS+ 0 0 -63.0 -62.1 180.0 38.8 106.7 9.1 100 -2.3 108 -0.9 0 0.0 107 -0.7 9 42
105 B 120 ALA A H H < 3 TS+ 0 0 -59.5 -25.3 180.0 59.6 114.6 40.0 101 -1.9 0 0.0 0 0.0 0 0.0 13 44
106 B 121 PHE F H H < > TS+ 0 0 -70.8 -38.4 179.9 34.6 112.9 29.9 102 -1.9 109 -0.5 0 0.0 0 0.0 10 60
107 B 122 ALA A H H < < TS+ 0 0 -94.7 0.2 -179.9 78.1 103.2 67.1 103 -2.0 0 0.0 104 -0.7 0 0.0 10 45
108 B 123 ALA A T h < 3 TS+ 0 0 -87.6 2.2 -180.0 106.2 74.9 67.4 104 -0.9 0 0.0 0 0.0 0 0.0 10 35
109 B 124 LEU L S t < TS- 0 0 -81.1 157.5 -180.0 -101.6 91.7 115.7 106 -0.5 111 -2.6 0 0.0 0 0.0 10 39
110 B 125 PRO P S S S- 0 0 -75.0 53.7 179.9 -31.2 103.8 105.6 0 0.0 0 0.0 0 0.0 0 0.0 5 30
111 B 126 GLY G S S S- 0 0 97.7 56.4 180.0 -141.0 82.4 29.6 109 -2.6 0 0.0 0 0.0 0 0.0 9 34
112 B 127 SER S S S S+ 0 0 -44.7 148.4 -180.0 46.7 71.7 91.8 0 0.0 0 0.0 0 0.0 0 0.0 14 47
113 B 128 ALA A + 0 0 79.0 111.2 180.0 155.1 66.0 40.0 0 0.0 0 0.0 0 0.0 0 0.0 13 46
114 B 129 LYS K + 0 0 -166.4 144.2 180.0 135.4 6.3 160.0 0 0.0 0 0.0 0 0.0 0 0.0 8 42
115 B 130 ASP D - 0 0 165.7 115.2 180.0 -128.8 39.5 115.4 0 0.0 0 0.0 0 0.0 0 0.0 6 37
116 B 131 PRO P - 0 0 -75.0 149.8 -180.0 -138.6 11.6 114.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
117 B 132 SER S S g > TS+ 0 0 -76.3 -29.4 -179.9 59.3 106.3 38.2 0 0.0 120 -1.5 0 0.0 0 0.0 9 35
118 B 133 TRP W G G > TS+ 0 0 -73.2 -11.6 -180.0 83.1 84.2 52.6 0 0.0 121 -1.9 0 0.0 0 0.0 11 40
119 B 134 ALA A G G 3 TS+ 0 0 -66.7 -10.2 -180.0 35.7 101.0 53.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
120 B 135 SER S G G < TS+ 0 0 -130.7 26.1 -180.0 106.1 95.5 90.8 117 -1.5 122 -0.6 0 0.0 0 0.0 6 31
121 B 136 ILE I g < T + 0 0 -114.4 116.2 -180.0 147.6 39.6 161.3 118 -1.9 0 0.0 0 0.0 0 0.0 9 39
122 B 137 LEU L - 0 0 -143.1 160.8 180.0 -102.3 50.0 161.3 120 -0.6 124 -0.7 0 0.0 0 0.0 11 39
123 B 138 GLN Q B B a - 162 0 -90.6 114.1 180.0 -145.4 38.7 141.8 161 -1.8 163 -1.0 0 0.0 0 0.0 12 42
124 B 139 GLY G t > T - 0 0 -71.5 168.1 -180.0 -106.8 26.1 100.4 122 -0.7 127 -1.5 0 0.0 0 0.0 8 31
125 B 140 LEU L T T 3 TS+ 0 0 -63.4 -35.6 -180.0 34.7 125.3 31.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
126 B 141 GLU E T T 3 TS+ 0 0 -112.2 40.5 180.0 103.8 103.7 103.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
127 B 142 GLU E S t < TS- 0 0 -123.9 152.3 -180.0 -101.4 78.6 154.4 124 -1.5 0 0.0 0 0.0 0 0.0 7 29
128 B 143 PRO P h > T - 0 0 -75.0 119.9 180.0 -172.1 29.4 126.9 0 0.0 132 -1.9 0 0.0 0 0.0 8 35
129 B 144 TYR Y H H > TS+ 0 0 -74.6 -54.8 -180.0 51.1 84.0 16.9 0 0.0 133 -4.1 0 0.0 0 0.0 10 46
130 B 145 HIS H H H > TS+ 0 0 -48.1 -49.3 -180.0 40.5 118.2 24.8 0 0.0 134 -2.2 0 0.0 0 0.0 9 43
131 B 146 ALA A H H > TS+ 0 0 -66.5 -44.4 180.0 53.0 114.5 23.9 0 0.0 135 -3.2 0 0.0 0 0.0 7 38
132 B 147 PHE F H H X TS+ 0 0 -57.2 -43.7 180.0 49.6 109.1 26.4 128 -1.9 136 -2.3 0 0.0 0 0.0 12 43
133 B 148 VAL V H H X TS+ 0 0 -60.5 -51.4 -180.0 47.3 112.3 18.5 129 -4.1 137 -2.0 0 0.0 0 0.0 11 51
134 B 149 GLU E H H X TS+ 0 0 -54.5 -54.3 180.0 45.2 114.8 18.9 130 -2.2 138 -1.8 0 0.0 0 0.0 8 38
135 B 150 ARG R H H X TS+ 0 0 -59.0 -33.9 -180.0 62.3 106.8 33.6 131 -3.2 139 -3.4 0 0.0 0 0.0 9 39
136 B 151 LEU L H H X TS+ 0 0 -57.3 -47.7 -180.0 48.3 103.0 22.2 132 -2.3 140 -1.9 0 0.0 0 0.0 13 44
137 B 152 ASN N H H X TS+ 0 0 -58.4 -46.9 180.0 43.7 116.8 22.7 133 -2.0 141 -3.1 0 0.0 0 0.0 9 43
138 B 153 ILE I H H X TS+ 0 0 -60.8 -68.5 180.0 45.7 114.3 4.9 134 -1.8 142 -2.0 0 0.0 0 0.0 8 31
139 B 154 ALA A H H < TS+ 0 0 -45.4 -29.0 180.0 54.9 115.0 38.5 135 -3.4 0 0.0 0 0.0 0 0.0 10 31
140 B 155 LEU L H H < > TS+ 0 0 -69.3 -60.0 -180.0 48.2 103.8 11.0 136 -1.9 143 -3.7 0 0.0 0 0.0 13 36
141 B 156 ASP D H H < > TS+ 0 0 -52.8 -21.2 180.0 66.4 104.1 43.2 137 -3.1 144 -0.6 0 0.0 0 0.0 8 31
142 B 157 ASN N T h < 3 TS+ 0 0 -72.2 -23.0 180.0 16.8 121.2 42.8 138 -2.0 0 0.0 0 0.0 0 0.0 6 32
143 B 158 GLY G T T < TS+ 0 0 -141.5 38.4 -180.0 107.1 102.7 97.5 140 -3.7 0 0.0 0 0.0 0 0.0 9 35
144 B 159 LEU L t < T - 0 0 -126.2 115.0 -180.0 -148.1 55.2 165.6 141 -0.6 0 0.0 0 0.0 0 0.0 8 31
145 B 160 PRO P t > T - 0 0 -75.0 166.1 180.0 -115.5 25.9 104.4 0 0.0 148 -0.9 0 0.0 0 0.0 6 25
146 B 161 GLU E T T 3 TS+ 0 0 -77.8 -7.0 -179.9 58.7 115.8 57.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15
147 B 162 GLY G T T 3 TS+ 0 0 -113.0 34.5 -180.0 78.2 95.7 97.9 0 0.0 0 0.0 0 0.0 0 0.0 4 13
148 B 163 THR T S t < TS- 0 0 -145.9 141.5 179.9 -111.9 80.9 176.3 145 -0.9 0 0.0 0 0.0 0 0.0 6 18
149 B 164 PRO P + 0 0 -74.9 131.8 -180.0 161.9 37.1 123.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
150 B 165 LYS K h > T + 0 0 -116.0 -37.6 180.0 76.0 62.8 48.3 0 0.0 154 -4.4 0 0.0 0 0.0 8 33
151 B 166 ASP D H H > TS+ 0 0 -40.5 -52.3 180.0 29.8 112.3 27.2 0 0.0 155 -1.6 0 0.0 0 0.0 6 35
152 B 167 PRO P H H > TS+ 0 0 -75.0 -49.3 -180.0 58.0 116.4 21.3 0 0.0 156 -1.6 0 0.0 0 0.0 7 31
153 B 168 ILE I H H > > TS+ 0 0 -45.9 -47.6 -179.9 47.0 109.7 26.6 0 0.0 157 -2.6 0 0.0 156 -0.5 8 42
154 B 169 LEU L H H X 3 TS+ 0 0 -60.1 -53.2 179.9 53.9 107.6 17.1 150 -4.4 158 -2.1 0 0.0 0 0.0 12 48
155 B 170 ARG R H H X 3 TS+ 0 0 -54.4 -19.7 180.0 50.9 111.6 45.0 151 -1.6 159 -0.7 0 0.0 0 0.0 11 51
156 B 171 SER S H H < X>TS+ 0 0 -82.2 -56.6 180.0 42.5 110.2 19.4 152 -1.6 161 -2.0 153 -0.5 159 -0.5 9 46
157 B 172 LEU L H H < 35TS+ 0 0 -64.0 -15.1 -180.0 53.2 117.1 48.7 153 -2.6 0 0.0 0 0.0 0 0.0 14 50
158 B 173 ALA A H H < 35TS+ 0 0 -88.6 -30.6 -179.9 9.1 131.2 40.2 154 -2.1 0 0.0 0 0.0 0 0.0 15 57
159 B 174 TYR Y T h < X5TS+ 0 0 -110.5 -78.5 180.0 47.4 128.5 43.0 155 -0.7 162 -1.3 156 -0.5 0 0.0 9 56
160 B 175 SER S T T 35TS+ 0 0 -37.0 -32.5 179.9 47.5 121.1 39.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
161 B 176 ASN N T T 3 T - 0 0 -52.3 -175.6 180.0 -101.5 38.5 78.1 123 -1.0 167 -2.0 0 0.0 0 0.0 10 33
164 B 179 LYS K H H > TS+ 0 0 -78.5 -49.8 180.0 52.3 121.6 22.0 0 0.0 168 -4.0 0 0.0 0 0.0 7 28
165 B 180 GLU E H H > TS+ 0 0 -54.1 -36.3 -180.0 45.5 115.0 32.3 0 0.0 169 -1.2 0 0.0 0 0.0 7 33
166 B 181 CYS C H H > > TS+ 0 0 -69.9 -67.4 -180.0 42.0 115.5 6.0 0 0.0 170 -2.4 0 0.0 169 -1.1 13 45
167 B 182 GLN Q H H X 3 TS+ 0 0 -46.2 -43.4 180.0 52.6 115.6 29.8 163 -2.0 171 -2.9 0 0.0 0 0.0 11 45
168 B 183 LYS K H H X 3 TS+ 0 0 -62.4 -34.5 180.0 52.4 107.7 32.3 164 -4.0 172 -2.2 0 0.0 0 0.0 8 31
169 B 184 LEU L H H X < TS+ 0 0 -66.5 -46.9 -180.0 43.2 113.1 21.8 165 -1.2 173 -1.6 166 -1.1 0 0.0 11 40
170 B 185 LEU L H H < >>TS+ 0 0 -61.3 -65.6 -179.9 42.0 118.3 6.8 166 -2.4 175 -1.2 0 0.0 173 -1.2 13 42
171 B 186 GLN Q H H < >5TS+ 0 0 -49.1 -40.5 -180.0 57.8 111.9 30.5 167 -2.9 174 -1.9 0 0.0 0 0.0 9 31
172 B 187 ALA A H H < 35TS+ 0 0 -58.7 -37.5 -180.0 53.6 102.4 30.2 168 -2.2 0 0.0 0 0.0 0 0.0 8 28
173 B 188 ARG R T h < <5TS- 0 0 -75.3 -3.7 180.0 -124.7 114.2 60.2 169 -1.6 0 0.0 170 -1.2 0 0.0 7 30
174 B 189 GLY G T T <5TS+ 0 0 60.6 39.9 180.0 109.7 78.4 29.0 171 -1.9 0 0.0 0 0.0 0 0.0 6 22
175 B 190 HIS H t T - 0 0 -75.0 -167.7 -180.0 -103.2 38.1 84.7 0 0.0 183 -0.6 0 0.0 0 0.0 8 30
180 B 195 LEU L H H > > TS+ 0 0 -85.1 -50.6 180.0 61.3 115.7 24.3 0 0.0 184 -2.3 0 0.0 183 -1.1 8 42
181 B 196 GLY G H H > 3 TS+ 0 0 -44.7 -35.1 -179.9 53.1 104.5 36.1 0 0.0 185 -0.8 0 0.0 0 0.0 6 31
182 B 197 ASP D H H > 3 TS+ 0 0 -69.2 -39.7 180.0 50.5 107.1 28.2 0 0.0 186 -0.8 0 0.0 0 0.0 9 34
183 B 198 MET M H H X < TS+ 0 0 -66.2 -35.2 -180.0 51.1 109.0 32.6 180 -1.1 187 -2.0 179 -0.6 0 0.0 12 48
184 B 199 LEU L H H X TS+ 0 0 -74.1 -20.5 180.0 53.0 108.8 45.4 180 -2.3 188 -0.7 0 0.0 0 0.0 9 43
185 B 200 ARG R H H < TS+ 0 0 -87.0 -17.3 180.0 47.3 110.2 50.5 181 -0.8 0 0.0 0 0.0 0 0.0 8 32
186 B 201 ALA A H H X TS+ 0 0 -90.8 -34.6 180.0 38.2 119.0 37.9 182 -0.8 190 -1.2 0 0.0 0 0.0 11 37
187 B 202 CYS C H H < TS+ 0 0 -87.7 -19.2 180.0 96.1 89.6 49.3 183 -2.0 0 0.0 0 0.0 0 0.0 12 45
188 B 203 GLN Q T h < TS+ 0 0 -37.4 -39.4 180.0 10.4 110.2 35.7 184 -0.7 0 0.0 0 0.0 0 0.0 7 30
189 B 204 THR T T T 4 TS- 0 0 -107.7 -49.9 179.9 -177.9 78.1 38.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
190 B 205 TRP W t < T + 0 0 43.7 59.6 180.0 106.9 50.1 21.1 186 -1.2 0 0.0 0 0.0 0 0.0 8 35
191 B 206 THR T - 0 0 -167.0 136.9 -180.0 -119.1 68.0 155.2 0 0.0 0 0.0 0 0.0 0 0.0 4 26
192 B 207 PRO P + 0 0 -75.0 162.1 -180.0 169.3 33.1 107.1 0 0.0 0 0.0 0 0.0 0 0.0 4 17
193 B 208 LYS K + 0 0 -174.5 135.9 -180.0 133.8 9.3 147.8 0 0.0 0 0.0 0 0.0 0 0.0 4 12
194 B 209 ASP D - 0 0 175.6 142.3 -179.9 -161.8 22.4 143.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
195 B 210 LYS K - 0 0 -130.0 169.4 180.0 -156.8 3.4 144.6 0 0.0 0 0.0 0 0.0 0 0.0 5 8
196 B 211 THR T + 0 0 -153.3 131.2 180.0 9.8 65.8 163.6 0 0.0 0 0.0 0 0.0 0 0.0 4 7
197 B 212 LYS K + 0 0 64.0 86.3 180.0 172.4 56.7 12.0 0 0.0 0 0.0 0 0.0 0 0.0 4 5
198 B 213 VAL V 0 0 -90.0 -41.6 -180.0 999.9 999.9 32.5 0 0.0 0 0.0 0 0.0 0 0.0 4 5
199 B 214 LEU L 0 0 -115.6 999.9 999.9 999.9 999.9 73.3 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1qrjB.pdb
1QRJ VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHS SSSTTHHHHHHHHHTTT HHHHHHHHHHHS HHHHHHHHHHHHHHHHHHHHH SS TTT SHHHHS SS HHHHHHHH Kabs/Sand
chirality +++++++++++++--++-++++++++++++-----+++++++++++--++++++++++++++++++++----+-+++-+-++++++-++++++++++++ chirality
bends SSSSSSSSSSSSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SS SSS SSSSSS SS SSSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTT TTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33<>33< >33<>33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXX<<<< >>>>XXX>>>XX>>>XXXXXXXXXXXXXXX<<<< >444< >>44<< >>>>XXXXX 4-turns
summary hHHHHHHHHHHHHHh SStThHHHHHHHHHhTTt hHHHHHHHHHHHhhHHHHHHHHHHHHHHHHHHHHHh SS tTTTt hHHHHh SS hHHHHHHHH summary
sequence QMKDLQAIKQEVSQAAPGSPQFMQTIRLAVQQFDPTAKDLQDLLQYLCSSLVASLHHQQLDSLISEAETRGITGYNPLAGPLRVQANNPQQQGLRREYQQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHTSSSS SGGG B TTS HHHHHHHHHHHHHTT TTS HHHHHHHHTTTB HHHHHHHHHTT SSS HHHHHHHHTT Kabs/Sand
chirality ++++++++---+++--+++++---++--+++++++++++++++--++-+++++++++++++--+++++++++-++++--+++++++++-+-++--++ chirality
bends SSSSSSSSSSSS SSSS SSS SSSSSSSSSSSSSSS SSS SSSSSSSSSSS SSSSSSSSSSS SSS SSSSSSSSSS bends
turns TTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >3><3< >>3<< >33< >>3<<>33< >33X33X33< >33<>>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 a a bridge-1
sheets sheets
4-turns XXXX<<<< >>>>XXXXXXX<<<< >>>>XX<<<< >>>>XXX<<<< >>>>XX