Secondary structure calculation program - copyright by David Keith Smith, 1989
1acw-.pdb
1ACW TOXIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 29
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 1 VAL V 0 0 999.9 149.6 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 19
2 2 SER S - 0 0 -78.6 150.2 178.1 -159.9 999.9 119.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
3 3 CYS C S S S+ 0 0 -116.6 27.0 179.4 37.9 89.2 89.3 0 0.0 0 0.0 0 0.0 0 0.0 10 23
4 4 GLU E S h > TS+ 0 0 -139.4 -50.6 178.7 40.3 117.4 61.0 0 0.0 8 -1.9 0 0.0 0 0.0 6 22
5 5 ASP D H H > TS+ 0 0 -74.3 -34.7 179.3 56.4 114.2 29.5 0 0.0 9 -2.9 0 0.0 0 0.0 7 25
6 6 CYS C H H > TS+ 0 0 -60.1 -53.1 179.2 33.8 116.8 14.3 0 0.0 10 -1.1 0 0.0 0 0.0 13 27
7 7 PRO P H H > TS+ 0 0 -72.7 -31.4 179.0 56.6 117.2 35.6 0 0.0 11 -1.9 0 0.0 0 0.0 15 27
8 8 GLU E H H X TS+ 0 0 -65.6 -50.1 178.8 43.7 109.6 13.9 4 -1.9 12 -1.1 0 0.0 0 0.0 10 23
9 9 HIS H H H < TS+ 0 0 -64.6 -25.9 177.8 53.7 113.4 34.1 5 -2.9 0 0.0 0 0.0 0 0.0 7 24
10 10 CYS C H H < >>TS+ 0 0 -76.4 -30.0 179.0 62.8 98.5 32.7 6 -1.1 15 -2.8 0 0.0 13 -1.0 14 24
11 11 SER S H H < >5TS+ 0 0 -62.4 -29.9 179.4 80.4 83.8 32.5 7 -1.9 14 -2.4 0 0.0 0 0.0 9 23
12 12 THR T T h < 35TS+ 0 0 -43.1 -47.2 -179.8 26.9 106.8 27.4 8 -1.1 0 0.0 0 0.0 0 0.0 7 17
13 13 GLN Q T T <5TS- 0 0 -112.2 44.5 -180.0 -91.6 125.7 103.3 10 -1.0 29 -0.9 0 0.0 0 0.0 7 16
14 14 LYS K T T <5TS+ 0 0 52.3 33.0 -179.9 141.5 86.9 31.5 11 -2.4 0 0.0 0 0.0 0 0.0 8 18
15 15 ALA A t T - 23 0 -145.1 135.6 -179.5 -2.3 64.1 173.4 23 -2.0 23 -1.0 18 -0.8 0 0.0 6 18
21 21 ASN N T T 3 TS- 0 0 53.8 38.5 -179.2 -55.1 132.5 26.4 0 0.0 0 0.0 0 0.0 0 0.0 4 12
22 22 ASP D T T 3 TS+ 0 0 64.9 30.7 179.9 120.3 117.2 33.1 0 0.0 0 0.0 0 0.0 0 0.0 7 16
23 23 LYS K E E AA < T - 20 0 -131.2 105.3 179.7 -159.9 49.2 152.7 20 -1.0 20 -2.0 0 0.0 25 -0.5 8 18
24 24 CYS C E E AA - 19 0 -84.8 123.5 -179.8 -164.0 4.6 135.1 0 0.0 26 -0.8 0 0.0 0 0.0 13 24
25 25 VAL V E E AA - 18 0 -110.7 93.0 -179.9 -161.7 5.3 143.6 18 -1.3 18 -2.1 23 -0.5 0 0.0 8 26
26 26 CYS C E E AA - 17 0 -75.3 127.3 -179.8 -170.4 6.1 125.4 24 -0.8 0 0.0 0 0.0 0 0.0 11 27
27 27 GLU E E E AA - 16 0 -125.4 103.7 180.0 -165.3 3.5 154.1 16 -2.3 16 -2.0 0 0.0 0 0.0 8 23
28 28 PRO P 0 0 -80.1 163.8 179.6 999.9 999.9 109.0 0 0.0 0 0.0 0 0.0 0 0.0 8 18
29 29 ILE I 0 0 -83.9 999.9 999.9 999.9 999.9 136.6 13 -0.9 0 0.0 0 0.0 0 0.0 5 14
1acw-.pdb
1ACW TOXIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSHHHHHHHTTT EEEEETTEEEEE Kabs/Sand
chirality -++++++++++-+----+--+----- chirality
bends SSSSSSSSSSSS SS bends
turns TTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 AAAAA AAAAA bridge-1
sheets AAAAA AAAAA sheets
4-turns >>>>X<<<< 4-turns
summary ShHHHHHHHhTTtEEEEETTEEEEE summary
sequence VSCEDCPEHCSTQKAQAKCDNDKCVCEPI sequence
10 20