Secondary structure calculation program - copyright by David Keith Smith, 1989
1fshA.pdb
1FSH SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 94
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 12 GLU E 0 0 999.9 148.7 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
2 A 13 ALA A - 0 0 -46.1 171.6 179.9 -94.8 999.9 82.5 52 -1.1 0 0.0 0 0.0 0 0.0 7 32
3 A 14 PRO P S S S+ 0 0 -72.3 1.2 -179.9 62.6 110.3 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 28
4 A 15 LEU L - 0 0 -119.4 178.6 180.0 -176.5 53.8 129.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
5 A 16 THR T - 0 0 -141.8 -48.1 180.0 -75.0 64.5 62.3 0 0.0 0 0.0 0 0.0 0 0.0 11 37
6 A 17 VAL V S S S+ 0 0 167.9 -32.9 180.0 61.3 123.8 86.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
7 A 18 LYS K S S S+ 0 0 -99.6 15.7 180.0 130.9 75.5 80.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
8 A 19 SER S S S S- 0 0 -69.3 148.7 180.0 -68.6 80.8 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
9 A 20 ASP D h > > T - 0 0 -39.4 111.9 -179.9 -138.4 46.2 96.0 0 0.0 13 -2.3 0 0.0 12 -1.2 6 27
10 A 21 MET M H H > 3 TS+ 0 0 -42.3 -49.7 179.9 50.0 106.9 27.1 0 0.0 14 -2.4 0 0.0 0 0.0 10 39
11 A 22 SER S H H > 3 TS+ 0 0 -59.8 -33.9 -180.0 52.0 109.6 32.5 0 0.0 15 -1.9 0 0.0 0 0.0 8 33
12 A 23 ALA A H H > < TS+ 0 0 -71.2 -33.5 179.9 51.8 108.4 33.2 9 -1.2 16 -2.1 0 0.0 0 0.0 8 35
13 A 24 ILE I H H X TS+ 0 0 -66.3 -58.2 180.0 43.7 111.3 11.6 9 -2.3 17 -2.1 0 0.0 0 0.0 10 58
14 A 25 VAL V H H X TS+ 0 0 -53.9 -42.4 -180.0 54.5 113.1 26.8 10 -2.4 18 -2.1 0 0.0 0 0.0 12 56
15 A 26 ARG R H H X TS+ 0 0 -58.0 -46.3 179.9 51.1 107.0 22.8 11 -1.9 19 -2.2 0 0.0 0 0.0 8 42
16 A 27 VAL V H H < > TS+ 0 0 -54.9 -62.7 -179.9 49.3 108.1 12.3 12 -2.1 19 -0.6 0 0.0 0 0.0 8 44
17 A 28 MET M H H < 3 TS+ 0 0 -44.9 -41.0 -179.9 54.6 110.1 30.7 13 -2.1 25 -1.3 0 0.0 0 0.0 14 53
18 A 29 GLN Q H H < 3 TS+ 0 0 -60.5 -46.2 180.0 104.1 84.5 22.3 14 -2.1 26 -0.5 0 0.0 0 0.0 10 44
19 A 30 LEU L S h < X TS- 0 0 -38.7 135.7 179.9 -131.4 78.6 91.7 15 -2.2 22 -1.3 16 -0.6 0 0.0 9 27
20 A 31 PRO P T T 3 TS+ 0 0 -72.4 0.0 -179.9 49.8 108.8 64.5 0 0.0 0 0.0 0 0.0 0 0.0 8 23
21 A 32 ASP D T T 3 TS+ 0 0 -131.2 37.6 180.0 86.8 87.1 99.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
22 A 33 SER S S t < TS- 0 0 -101.0 -53.4 -180.0 -113.6 93.2 32.7 19 -1.3 0 0.0 0 0.0 0 0.0 10 33
23 A 34 GLY G S S S+ 0 0 144.5 -38.9 -180.0 59.4 102.8 96.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
24 A 35 LEU L S S S- 0 0 -82.0 -53.2 179.9 -165.8 78.3 20.5 0 0.0 0 0.0 0 0.0 0 0.0 10 40
25 A 36 GLU E - 0 0 65.3 114.2 179.9 -139.6 12.5 36.5 17 -1.3 27 -0.7 0 0.0 0 0.0 11 38
26 A 37 ILE I S S S+ 0 0 -109.8 101.6 -180.0 64.2 78.3 151.6 18 -0.5 0 0.0 0 0.0 0 0.0 14 43
27 A 38 ARG R S S S+ 0 0 178.9 -35.0 -179.9 33.4 99.8 82.3 25 -0.7 0 0.0 0 0.0 0 0.0 7 33
28 A 39 ASP D + 0 0 -144.9 131.3 -180.0 146.4 63.5 170.9 0 0.0 0 0.0 0 0.0 0 0.0 10 30
29 A 40 ARG R E E AA - 36 0 -149.6 -178.9 -179.9 -114.7 36.1 149.7 36 -1.6 36 -2.4 0 0.0 0 0.0 11 32
30 A 41 MET M E E AA + 35 0 -129.8 143.1 179.9 156.3 33.1 166.9 0 0.0 0 0.0 0 0.0 0 0.0 9 25
31 A 42 TRP W E E AA > T + 34 0 -165.2 139.2 180.0 13.2 65.4 158.2 34 -1.4 34 -1.6 0 0.0 0 0.0 7 24
32 A 43 LEU L T T 3 TS- 0 0 67.9 13.0 180.0 -64.0 129.4 50.5 0 0.0 0 0.0 0 0.0 0 0.0 4 15
33 A 44 LYS K T T 3 TS+ 0 0 83.4 17.3 179.9 106.1 117.7 49.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
34 A 45 ILE I E E AA < T - 31 0 -119.1 178.6 179.9 -116.6 68.6 128.9 31 -1.6 31 -1.4 0 0.0 0 0.0 6 13
35 A 46 THR T E E AA - 30 0 -124.0 130.9 179.9 -171.9 25.7 168.3 0 0.0 0 0.0 0 0.0 0 0.0 8 16
36 A 47 ILE I E E AA - 29 0 -119.5 155.1 -179.9 -134.4 27.4 149.0 29 -2.4 29 -1.6 0 0.0 0 0.0 9 22
37 A 48 ALA A S S S+ 0 0 -101.8 48.7 179.9 22.3 96.2 108.8 0 0.0 0 0.0 0 0.0 0 0.0 7 23
38 A 49 ASN N S S S+ 0 0 151.6 93.8 -180.0 129.2 79.3 88.5 0 0.0 0 0.0 0 0.0 0 0.0 9 33
39 A 50 ALA A + 0 0 -157.8 157.6 -180.0 116.3 10.2 169.8 0 0.0 0 0.0 0 0.0 0 0.0 13 42
40 A 51 VAL V h > T - 0 0 174.4 -55.4 179.9 -173.7 36.4 94.3 90 -0.6 44 -2.3 0 0.0 0 0.0 13 54
41 A 52 ILE I H H > T - 0 0 57.0 171.9 180.0 -63.4 57.9 78.4 90 -0.7 45 -2.7 0 0.0 0 0.0 15 54
42 A 53 GLY G H H > TS+ 0 0 -58.3 -32.2 -179.9 67.4 133.9 34.1 0 0.0 46 -2.6 0 0.0 0 0.0 14 57
43 A 54 ALA A H H > TS+ 0 0 -52.1 -60.0 -180.0 30.9 110.5 15.8 0 0.0 47 -2.2 0 0.0 0 0.0 9 47
44 A 55 ASP D H H X TS+ 0 0 -65.3 -48.0 180.0 60.4 115.0 20.4 40 -2.3 48 -2.1 0 0.0 0 0.0 10 52
45 A 56 VAL V H H X TS+ 0 0 -47.6 -37.1 -180.0 44.3 110.8 32.3 41 -2.7 49 -2.1 0 0.0 0 0.0 12 68
46 A 57 VAL V H H X TS+ 0 0 -72.0 -65.0 -179.9 55.8 105.4 8.1 42 -2.6 50 -2.3 0 0.0 0 0.0 11 59
47 A 58 ASP D H H X TS+ 0 0 -37.7 -31.9 179.9 48.5 113.8 38.5 43 -2.2 51 -1.3 0 0.0 0 0.0 8 46
48 A 59 TRP W H H X TS+ 0 0 -74.1 -67.4 180.0 49.2 107.0 8.5 44 -2.1 52 -2.0 0 0.0 0 0.0 12 51
49 A 60 LEU L H H X TS+ 0 0 -37.0 -54.8 -179.9 43.2 118.0 28.6 45 -2.1 53 -1.7 0 0.0 0 0.0 11 56
50 A 61 TYR Y H H < TS+ 0 0 -61.4 -40.0 180.0 39.3 123.5 27.3 46 -2.3 0 0.0 0 0.0 0 0.0 11 41
51 A 62 THR T H H < TS+ 0 0 -72.3 -72.9 -179.9 37.8 121.5 7.0 47 -1.3 0 0.0 0 0.0 0 0.0 7 35
52 A 63 HIS H H H < TS- 0 0 -42.4 -63.1 180.0 -14.8 138.0 21.8 48 -2.0 2 -1.1 0 0.0 0 0.0 10 35
53 A 64 VAL V h < T - 0 0 -124.5 -157.3 179.9 -155.4 68.4 112.3 49 -1.7 0 0.0 0 0.0 0 0.0 12 39
54 A 65 GLU E + 0 0 -171.9 176.2 180.0 136.2 36.5 165.6 0 0.0 0 0.0 0 0.0 0 0.0 12 34
55 A 66 GLY G + 0 0 153.6 -20.5 180.0 114.3 49.0 83.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31
56 A 67 PHE F - 0 0 -76.6 148.9 -180.0 -124.8 69.4 117.5 0 0.0 0 0.0 0 0.0 0 0.0 12 32
57 A 68 LYS K S S S- 0 0 -55.6 -62.3 180.0 -45.0 75.3 12.0 0 0.0 0 0.0 0 0.0 0 0.0 7 21
58 A 69 GLU E S h > TS- 0 0 -151.2 -161.8 -180.0 -48.0 86.8 137.5 0 0.0 62 -2.8 0 0.0 0 0.0 6 21
59 A 70 ARG R H H > TS+ 0 0 -52.8 -22.7 -180.0 57.9 132.8 41.9 0 0.0 63 -2.1 0 0.0 0 0.0 7 27
60 A 71 ARG R H H > TS+ 0 0 -71.3 -71.2 179.9 37.1 108.6 5.8 0 0.0 64 -2.2 0 0.0 0 0.0 8 24
61 A 72 GLU E H H > TS+ 0 0 -49.2 -38.0 -179.9 56.1 118.1 31.1 0 0.0 65 -2.0 0 0.0 0 0.0 9 28
62 A 73 ALA A H H X TS+ 0 0 -59.6 -55.8 -179.9 42.6 109.1 14.9 58 -2.8 66 -2.2 0 0.0 0 0.0 13 39
63 A 74 ARG R H H X TS+ 0 0 -62.2 -24.7 -180.0 60.7 110.6 40.1 59 -2.1 67 -2.2 0 0.0 0 0.0 10 41
64 A 75 LYS K H H X TS+ 0 0 -69.3 -41.2 -179.9 43.9 106.5 26.2 60 -2.2 68 -2.1 0 0.0 0 0.0 8 38
65 A 76 TYR Y H H X TS+ 0 0 -68.5 -49.3 -179.9 50.5 113.1 19.3 61 -2.0 69 -2.2 0 0.0 0 0.0 10 49
66 A 77 ALA A H H X TS+ 0 0 -54.0 -49.3 -180.0 47.6 112.3 21.7 62 -2.2 70 -2.1 0 0.0 0 0.0 11 63
67 A 78 SER S H H X TS+ 0 0 -58.3 -47.2 179.9 49.3 111.9 21.8 63 -2.2 71 -2.7 0 0.0 0 0.0 11 49
68 A 79 SER S H H X TS+ 0 0 -62.1 -29.8 -179.9 55.5 108.7 35.7 64 -2.1 72 -1.9 0 0.0 0 0.0 8 41
69 A 80 MET M H H < >TS+ 0 0 -69.8 -41.0 180.0 43.6 110.6 26.4 65 -2.2 74 -1.5 0 0.0 0 0.0 13 53
70 A 81 LEU L H H < >>TS+ 0 0 -68.0 -55.3 -180.0 52.4 111.2 14.2 66 -2.1 73 -2.8 0 0.0 75 -0.8 14 50
71 A 82 LYS K H H < 35TS+ 0 0 -46.2 -50.0 -179.9 66.0 98.0 24.8 67 -2.7 0 0.0 0 0.0 0 0.0 11 36
72 A 83 HIS H T h < 35TS- 0 0 -44.5 -27.5 180.0 -108.2 123.7 39.3 68 -1.9 0 0.0 0 0.0 0 0.0 8 30
73 A 84 GLY G T T <5TS+ 0 0 103.5 21.8 180.0 122.8 87.9 50.4 70 -2.8 0 0.0 0 0.0 0 0.0 10 35
74 A 85 PHE F T e >555<< 5-turns
3-turns >33< >33X33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA BB BB bridge-1
sheets AAA AAA BB BB sheets
4-turns >>>>XXX<<<< >>>>XXXXXX<<<< >>>>XXXXXXX<<<< 4-turns
summary S SSShHHHHHHHHHhTTtSS SS EEETTEEESS hHHHHHHHHHHHHh ShHHHHHHHHHHHHHhTeEE SSSS SSS EEe summary
sequence EAPLTVKSDMSAIVRVMQLPDSGLEIRDRMWLKITIANAVIGADVVDWLYTHVEGFKERREARKYASSMLKHGFLRHTVNKITFSEQCYYVFGD sequence
10 20 30 40 50 60 70 80 90