Secondary structure calculation program - copyright by David Keith Smith, 1989
1aapA.pdb
1AAP PROTEINASE INHIBITOR (TRYPSIN) PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID HUMAN (HOMO $SAPIENS) SYNTHETIC GENE CONSTRU
Sequence length - 56
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 1 VAL V g > T 0 0 999.9 151.1 -178.9 999.9 999.9 999.9 0 0.0 3 -1.1 0 0.0 4 -0.9 6 26
2 A 2 ARG R G G > T + 0 0 38.0 -78.1 -177.2 55.4 999.9 99.4 54 -0.7 5 -0.8 0 0.0 0 0.0 7 25
3 A 3 GLU E G G > TS+ 0 0 -50.7 -43.8 179.6 49.3 107.7 28.6 1 -1.1 6 -1.4 0 0.0 0 0.0 5 23
4 A 4 VAL V G G X TS+ 0 0 -64.4 -30.2 -176.0 71.2 99.0 36.3 1 -0.9 7 -1.5 0 0.0 0 0.0 8 30
5 A 5 CYS C G G < TS+ 0 0 -68.9 -4.6 -179.9 61.6 88.7 62.1 2 -0.8 0 0.0 0 0.0 0 0.0 13 36
6 A 6 SER S G G < TS+ 0 0 -104.5 -2.0 178.4 100.5 77.5 65.8 3 -1.4 0 0.0 0 0.0 0 0.0 10 31
7 A 7 GLU E S g < TS- 0 0 -78.6 152.3 174.9 -104.4 80.1 126.0 4 -1.5 0 0.0 0 0.0 0 0.0 7 33
8 A 8 GLN Q - 0 0 -66.4 158.8 174.0 -89.7 41.6 102.8 0 0.0 0 0.0 0 0.0 0 0.0 7 35
9 A 9 ALA A - 0 0 -66.8 125.1 178.3 -159.5 48.9 124.2 0 0.0 11 -0.5 0 0.0 0 0.0 10 43
10 A 10 GLU E - 0 0 -118.4 118.6 179.1 -168.7 22.4 163.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
11 A 11 THR T - 0 0 -67.6 -36.5 179.6 -154.2 37.6 32.1 9 -0.5 36 -3.0 0 0.0 0 0.0 11 31
12 A 12 GLY G - 0 0 85.5 179.9 -176.7 -66.3 31.5 99.6 0 0.0 0 0.0 0 0.0 0 0.0 10 26
13 A 13 PRO P S S S+ 0 0 -88.0 0.1 -178.6 101.7 96.5 59.7 0 0.0 0 0.0 0 0.0 0 0.0 8 17
14 A 14 CYS C S S S- 0 0 -89.1 162.9 -174.1 -121.0 73.5 110.8 38 -0.6 0 0.0 0 0.0 0 0.0 9 17
15 A 15 ARG R S S S+ 0 0 -83.4 -0.1 -179.9 101.5 70.6 70.8 0 0.0 0 0.0 0 0.0 0 0.0 6 16
16 A 16 ALA A - 0 0 -81.8 171.1 176.4 -143.5 58.3 105.5 36 -2.1 0 0.0 0 0.0 0 0.0 7 18
17 A 17 MET M + 0 0 -134.3 76.1 -177.5 168.0 34.0 134.2 0 0.0 19 -0.5 0 0.0 0 0.0 8 23
18 A 18 ILE I E E AA - 35 0 -101.7 124.7 175.9 -119.8 37.1 150.4 35 -2.7 35 -3.3 0 0.0 0 0.0 8 27
19 A 19 SER S E E AA + 34 0 -58.7 122.6 176.0 157.0 46.3 114.2 17 -0.5 0 0.0 0 0.0 0 0.0 9 31
20 A 20 ARG R E E AA - 33 0 -141.9 169.3 -178.0 -122.5 33.3 145.4 33 -2.6 33 -2.0 0 0.0 0 0.0 12 38
21 A 21 TRP W E E AAA - 32 45 -119.9 151.0 175.4 -177.1 21.7 159.5 45 -2.4 45 -2.4 0 0.0 0 0.0 15 44
22 A 22 TYR Y E E AA - 31 0 -141.1 154.6 177.9 -108.7 32.8 160.4 31 -2.2 31 -2.6 0 0.0 24 -0.5 15 47
23 A 23 PHE F E E AA - 30 0 -85.3 124.1 177.5 -152.6 28.6 144.6 0 0.0 25 -0.6 0 0.0 0 0.0 15 41
24 A 24 ASP D E E >AA >T - 29 0 -102.3 113.9 -178.7 -156.2 2.8 157.4 29 -2.7 28 -1.8 22 -0.5 29 -1.1 12 36
25 A 25 VAL V T T 4 5TS+ 0 0 -58.3 -35.7 179.3 53.6 89.9 37.6 23 -0.6 0 0.0 0 0.0 0 0.0 8 27
26 A 26 THR T T T 4 5TS+ 0 0 -67.0 -47.5 179.1 33.1 118.0 23.9 0 0.0 0 0.0 0 0.0 0 0.0 4 16
27 A 27 GLU E T T 4 5TS- 0 0 -80.6 -20.6 179.9 -136.1 101.6 49.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
28 A 28 GLY G T T < 5TS+ 0 0 66.4 35.7 178.1 77.6 72.5 39.1 24 -1.8 0 0.0 0 0.0 0 0.0 8 29
29 A 29 LYS K E E AA TS- 0 0 -137.2 156.4 175.6 -128.2 71.4 159.3 0 0.0 51 -1.9 0 0.0 0 0.0 8 27
48 A 48 GLU E H H > TS+ 0 0 -66.1 -40.4 -177.1 57.2 111.6 32.5 0 0.0 52 -2.8 0 0.0 0 0.0 10 29
49 A 49 GLU E H H > TS+ 0 0 -60.0 -45.1 179.4 44.5 108.8 21.6 0 0.0 53 -2.3 0 0.0 0 0.0 6 23
50 A 50 TYR Y H H > TS+ 0 0 -65.5 -45.1 177.3 51.1 112.8 25.3 0 0.0 54 -2.0 0 0.0 0 0.0 9 28
51 A 51 CYS C H H X TS+ 0 0 -58.5 -47.0 -178.3 46.5 112.6 25.4 47 -1.9 55 -3.1 0 0.0 0 0.0 17 38
52 A 52 MET M H H X TS+ 0 0 -68.3 -33.7 176.0 57.0 108.0 30.4 48 -2.8 56 -1.9 0 0.0 0 0.0 11 32
53 A 53 ALA A H H < TS+ 0 0 -59.8 -46.4 -179.5 34.4 117.0 25.5 49 -2.3 0 0.0 0 0.0 0 0.0 7 27
54 A 54 VAL V H H < TS+ 0 0 -74.0 -48.3 -173.5 16.3 138.3 24.2 50 -2.0 2 -0.7 0 0.0 0 0.0 8 30
55 A 55 CYS C H H < T 0 0 -103.7 -28.3 -178.2 999.9 999.9 46.4 51 -3.1 0 0.0 0 0.0 0 0.0 9 34
56 A 56 GLY G h < T 0 0 -72.5 999.9 999.9 999.9 999.9 21.1 52 -1.9 0 0.0 0 0.0 0 0.0 8 29
1aapA.pdb
1AAP PROTEINASE INHIBITOR (TRYPSIN) PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID HUMAN (HOMO $SAPIENS) SYNTHETIC GENE CONSTRU
author author
Kabs/Sand GGGGGS SSS EEEEEEETTTTEEEEEEE SSS S BSSHHHHHHHH Kabs/Sand
chirality +++++------+-+-+-+-----++-+---+----+++--+++-+-+++++++ chirality
bends SSSSS SSS SSSSS SSS S SSSSSSSSS bends
turns TTTTTTT TTTTTT TTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>>X<<< 3-turns
bridge-2 A bridge-2
bridge-1 AAAAAAA AAAAAAA A bridge-1
sheets AAAAAAA AAAAAAA sheets
4-turns >444< >>>>XX<<<< 4-turns
summary gGGGGGg SSS EEEEEEETTTTEEEEEEE SSS S BShHHHHHHHHh summary
sequence VREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCG sequence
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