Secondary structure calculation program - copyright by David Keith Smith, 1989
1g4dA.pdb
1G4D VIRUS/VIRAL PROTEIN/DNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 69
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 A 13 LYS K 0 0 999.9 173.4 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 10
2 A 14 SER S - 0 0 -160.7 173.5 179.1 -141.2 999.9 165.5 0 0.0 0 0.0 0 0.0 0 0.0 5 20
3 A 15 ILE I - 0 0 -142.2 162.5 -179.1 -164.2 9.8 160.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
4 A 16 TRP W - 0 0 -147.5 154.1 -179.3 -178.3 5.8 172.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37
5 A 17 CYS C B B A - 48 0 -151.5 158.3 178.4 -102.4 32.4 173.8 48 -1.2 48 -2.1 0 0.0 0 0.0 10 44
6 A 18 SER S h > > T - 0 0 -81.4 144.4 179.7 -109.8 41.5 126.0 0 0.0 9 -2.6 0 0.0 10 -1.5 10 44
7 A 19 PRO P H H > 3 TS+ 0 0 -39.7 -44.6 -179.2 62.0 118.8 31.5 0 0.0 11 -3.7 0 0.0 0 0.0 11 49
8 A 20 GLN Q H H > 3 TS+ 0 0 -56.4 -31.4 179.9 48.5 104.4 31.4 0 0.0 12 -0.7 0 0.0 0 0.0 8 35
9 A 21 GLU E H H 4 < TS+ 0 0 -76.3 -40.5 -179.9 36.1 120.3 24.2 6 -2.6 0 0.0 0 0.0 0 0.0 10 42
10 A 22 ILE I H H < > TS+ 0 0 -76.3 -54.0 -179.4 54.8 113.0 15.8 6 -1.5 13 -3.9 0 0.0 0 0.0 12 50
11 A 23 MET M H H < 3 TS+ 0 0 -50.5 -27.3 179.8 56.6 106.6 34.2 7 -3.7 0 0.0 0 0.0 0 0.0 14 40
12 A 24 ALA A T h < 3 TS+ 0 0 -81.3 -8.1 -179.3 96.0 90.2 54.5 8 -0.7 0 0.0 0 0.0 0 0.0 9 33
13 A 25 ALA A S t X TS- 0 0 -81.6 152.2 179.3 -100.7 87.6 121.0 10 -3.9 16 -1.3 0 0.0 0 0.0 13 38
14 A 26 ASP D T T 3 TS+ 0 0 -65.0 158.5 179.5 32.2 108.7 105.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
15 A 27 GLY G T T 3 TS+ 0 0 78.5 -17.5 -179.4 112.4 97.7 73.9 0 0.0 0 0.0 0 0.0 0 0.0 7 32
16 A 28 MET M S t < TS- 0 0 -89.5 150.3 179.6 -107.5 83.9 128.9 13 -1.3 0 0.0 0 0.0 0 0.0 11 42
17 A 29 PRO P - 0 0 -36.8 -65.7 -179.6 -126.8 42.0 26.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
18 A 30 GLY G S S S+ 0 0 120.2 18.0 179.9 85.9 75.8 57.9 0 0.0 0 0.0 0 0.0 0 0.0 9 25
19 A 31 SER S S h > TS- 0 0 -145.9 145.6 -180.0 -122.6 79.4 177.7 0 0.0 23 -2.0 0 0.0 0 0.0 8 21
20 A 32 VAL V H H > TS+ 0 0 -54.5 -48.0 179.9 42.3 118.8 17.8 0 0.0 24 -1.5 0 0.0 0 0.0 9 28
21 A 33 ALA A H H > TS+ 0 0 -66.5 -38.8 179.6 64.7 105.4 23.5 0 0.0 25 -1.9 0 0.0 0 0.0 6 26
22 A 34 GLY G H H > TS+ 0 0 -50.3 -43.0 179.7 51.4 101.3 22.8 0 0.0 26 -1.3 0 0.0 0 0.0 11 29
23 A 35 VAL V H H X TS+ 0 0 -60.4 -51.4 180.0 53.8 105.0 13.2 19 -2.0 27 -2.7 0 0.0 0 0.0 14 43
24 A 36 HIS H H H X TS+ 0 0 -53.1 -28.7 179.7 65.1 102.3 32.5 20 -1.5 28 -2.2 0 0.0 0 0.0 9 37
25 A 37 TYR Y H H X TS+ 0 0 -57.5 -73.7 179.7 29.8 110.5 7.3 21 -1.9 29 -2.4 0 0.0 0 0.0 8 26
26 A 38 ARG R H H X >TS+ 0 0 -54.7 -36.5 -178.4 68.3 114.6 28.8 22 -1.3 30 -4.4 0 0.0 31 -0.7 10 34
27 A 39 ALA A H H X >TS+ 0 0 -50.7 -57.6 -179.1 29.3 110.6 17.2 23 -2.7 32 -2.1 0 0.0 31 -1.8 10 41
28 A 40 ASN N H H < 5TS+ 0 0 -73.5 -36.4 -178.9 48.7 125.2 28.0 24 -2.2 0 0.0 0 0.0 0 0.0 8 24
29 A 41 VAL V H H < 5TS+ 0 0 -70.4 -42.0 -179.5 32.9 122.2 21.9 25 -2.4 0 0.0 0 0.0 0 0.0 6 19
30 A 42 GLN Q H H < 5TS- 0 0 -85.4 -23.3 179.8 -123.7 108.6 41.0 26 -4.4 0 0.0 0 0.0 0 0.0 6 25
31 A 43 GLY G T h < TS- 0 0 -88.1 137.3 179.9 -107.4 90.5 133.0 0 0.0 43 -1.4 0 0.0 0 0.0 7 16
41 A 53 LYS K T T > 3 TS+ 0 0 -50.1 169.8 178.6 31.2 104.1 87.9 0 0.0 43 -1.4 0 0.0 45 -0.6 7 12
42 A 54 GLY G T T 4 3 TS- 0 0 66.6 -30.4 -179.1 -131.3 93.1 81.8 0 0.0 0 0.0 0 0.0 0 0.0 5 11
43 A 55 GLY G T T 4 < TS+ 0 0 65.1 -10.0 179.5 105.2 88.4 64.3 40 -1.4 0 0.0 41 -1.4 0 0.0 10 14
44 A 56 LYS K T T 4 T + 0 0 -73.4 -18.2 -179.0 109.6 48.3 44.1 0 0.0 0 0.0 0 0.0 0 0.0 7 19
45 A 57 ALA A e < T + 0 0 -61.2 124.2 178.5 168.1 44.8 113.3 41 -0.6 37 -1.6 0 0.0 0 0.0 11 28
46 A 58 VAL V E E AA - 36 0 -139.5 138.9 179.6 -140.0 25.1 178.3 0 0.0 0 0.0 0 0.0 0 0.0 10 34
47 A 59 GLU E E E AA - 35 0 -92.8 166.1 179.4 -131.9 17.0 121.2 35 -2.7 35 -1.2 0 0.0 0 0.0 12 41
48 A 60 TYR Y E E AAA - 34 5 -118.2 150.6 -179.0 -105.7 24.2 151.7 5 -2.1 5 -1.2 0 0.0 50 -0.9 14 46
49 A 61 ASP D e > > T - 0 0 -77.4 106.9 179.0 -165.8 24.1 127.3 33 -2.0 52 -2.5 0 0.0 53 -0.7 14 43
50 A 62 VAL V G G 4 > TS+ 0 0 -61.2 -26.3 179.7 64.5 90.9 34.6 48 -0.9 53 -0.7 0 0.0 0 0.0 12 48
51 A 63 MET M G G 4 3 TS+ 0 0 -74.5 -2.5 179.2 50.4 102.1 55.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
52 A 64 SER S G G 4 < TS+ 0 0 -108.2 -12.5 -179.9 99.4 88.5 57.0 49 -2.5 0 0.0 0 0.0 0 0.0 9 36
53 A 65 MET M S g < < TS- 0 0 -72.8 153.8 178.8 -69.3 96.1 114.2 50 -0.7 0 0.0 49 -0.7 0 0.0 9 47
54 A 66 PRO P h > T - 0 0 -39.3 137.0 -179.8 -114.3 49.3 90.9 0 0.0 58 -3.1 0 0.0 0 0.0 6 33
55 A 67 THR T H H > TS+ 0 0 -43.8 -54.3 179.2 48.1 120.1 20.6 0 0.0 59 -1.7 0 0.0 0 0.0 6 25
56 A 68 LYS K H H > TS+ 0 0 -53.2 -49.8 -179.3 49.7 112.0 17.8 0 0.0 60 -1.4 0 0.0 0 0.0 7 23
57 A 69 GLU E H H > TS+ 0 0 -58.0 -42.3 -179.4 62.3 102.0 23.4 0 0.0 61 -2.7 0 0.0 0 0.0 12 40
58 A 70 ARG R H H X TS+ 0 0 -50.5 -45.6 -179.5 51.4 102.0 21.5 54 -3.1 62 -4.3 0 0.0 0 0.0 13 41
59 A 71 GLU E H H X TS+ 0 0 -60.9 -38.7 179.5 51.1 108.6 24.5 55 -1.7 63 -2.5 0 0.0 0 0.0 9 30
60 A 72 GLN Q H H X TS+ 0 0 -64.0 -44.8 -179.6 37.6 118.7 18.0 56 -1.4 64 -2.8 0 0.0 0 0.0 11 33
61 A 73 VAL V H H X TS+ 0 0 -71.3 -54.4 179.8 47.8 117.9 12.9 57 -2.7 65 -4.5 0 0.0 0 0.0 14 41
62 A 74 ILE I H H X >TS+ 0 0 -54.5 -38.5 179.6 43.3 119.0 24.0 58 -4.3 66 -2.8 0 0.0 67 -2.5 11 36
63 A 75 ALA A H H < 5TS+ 0 0 -74.2 -41.9 178.4 47.7 114.8 20.9 59 -2.5 0 0.0 0 0.0 0 0.0 11 28
64 A 76 HIS H H H < 5TS+ 0 0 -63.0 -38.4 178.6 42.3 118.8 21.7 60 -2.8 0 0.0 0 0.0 0 0.0 10 32
65 A 77 LEU L H H < 5TS- 0 0 -73.2 -37.6 -179.8 -134.5 107.9 27.3 61 -4.5 0 0.0 0 0.0 0 0.0 7 31
66 A 78 GLY G T h < 5T + 0 0 85.7 38.8 -179.5 122.6 64.6 29.8 62 -2.8 0 0.0 0 0.0 0 0.0 7 21
67 A 79 LEU L t >555<< >5555< 5-turns
3-turns >33<>33X33< >33< >>3<< 3-turns
bridge-2 A bridge-2
bridge-1 A AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >>>4<<< >>>>XXXXX<<<< >444< >444<>>>>XXXXX<<<< 4-turns
summary BhHHHHHhtTTt ShHHHHHHHHHHHhteEEEe StTTTTeEEEeGGGghHHHHHHHHHHHht summary
sequence KSIWCSPQEIMAADGMPGSVAGVHYRANVQGWTKRKKEGVKGGKAVEYDVMSMPTKEREQVIAHLGLST sequence
10 20 30 40 50 60