Secondary structure calculation program - copyright by David Keith Smith, 1989
1roo-.pdb
1ROO POTASSIUM CHANNEL INHIBITOR MOL_ID: 1; MOL_ID: 1;
Sequence length - 35
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 ARG R 0 0 999.9 -178.8 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 13
2 2 SER S - 0 0 -122.2 145.7 180.0 -125.8 999.9 158.8 0 0.0 4 -0.7 0 0.0 0 0.0 4 17
3 3 CYS C + 0 0 -93.6 111.4 179.9 147.4 47.0 144.4 0 0.0 0 0.0 0 0.0 0 0.0 9 22
4 4 ILE I - 0 0 -138.2 171.7 -179.4 -154.1 28.7 150.5 2 -0.7 0 0.0 0 0.0 0 0.0 9 26
5 5 ASP D - 0 0 -146.5 148.1 178.9 -151.1 22.2 174.1 0 0.0 0 0.0 0 0.0 0 0.0 10 30
6 6 THR T S S S+ 0 0 -89.6 -19.2 179.5 7.3 104.4 48.0 27 -2.2 0 0.0 0 0.0 0 0.0 6 24
7 7 ILE I S S S- 0 0 -150.6 144.9 175.3 -169.6 78.7 157.8 27 -1.4 0 0.0 0 0.0 0 0.0 9 26
8 8 PRO P g > T - 0 0 -108.6 -137.9 179.0 -15.6 69.3 91.2 0 0.0 11 -2.4 0 0.0 0 0.0 12 31
9 9 LYS K G G > TS+ 0 0 -36.0 -32.1 -179.3 85.7 118.5 45.8 0 0.0 12 -1.6 0 0.0 0 0.0 8 31
10 10 SER S G G 3 TS+ 0 0 -46.0 -48.9 179.9 8.5 114.0 28.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
11 11 ARG R G G < TS+ 0 0 -126.9 33.7 179.8 83.6 124.2 96.7 8 -2.4 0 0.0 0 0.0 0 0.0 8 29
12 12 CYS C g < T + 0 0 -142.7 118.0 179.8 148.5 41.5 162.9 9 -1.6 0 0.0 0 0.0 0 0.0 14 31
13 13 THR T h > > T - 0 0 -140.5 153.1 -179.7 -89.9 68.7 159.1 0 0.0 17 -3.5 0 0.0 16 -0.7 10 27
14 14 ALA A H H > 3 TS+ 0 0 -38.4 -30.4 180.0 56.6 132.3 37.6 0 0.0 18 -2.1 0 0.0 0 0.0 8 26
15 15 PHE F H H > 3 TS+ 0 0 -69.2 -53.5 -179.3 30.0 117.0 11.7 0 0.0 19 -2.3 0 0.0 0 0.0 8 22
16 16 GLN Q H H > < TS+ 0 0 -75.5 -28.2 -179.9 52.8 122.3 35.3 13 -0.7 20 -1.4 0 0.0 0 0.0 12 27
17 17 CYS C H H < TS+ 0 0 -75.4 -35.6 -179.9 34.1 119.0 32.0 13 -3.5 0 0.0 0 0.0 0 0.0 14 31
18 18 LYS K H H < TS+ 0 0 -89.6 -33.1 -179.8 35.4 129.5 35.8 14 -2.1 0 0.0 0 0.0 0 0.0 9 25
19 19 HIS H H H < TS+ 0 0 -89.5 -43.9 -179.6 62.7 106.5 25.7 15 -2.3 21 -1.6 0 0.0 0 0.0 7 21
20 20 SER S h X > T - 0 0 -87.2 91.4 179.9 -170.3 64.5 127.1 16 -1.4 24 -1.8 0 0.0 23 -1.7 9 27
21 21 MET M H H > 3 TS+ 0 0 -46.6 -37.1 179.8 53.3 87.2 33.3 19 -1.6 25 -3.4 0 0.0 0 0.0 10 25
22 22 LYS K H H > 3>TS+ 0 0 -71.1 -26.0 -179.9 56.7 104.4 36.6 0 0.0 27 -2.8 0 0.0 26 -1.2 7 30
23 23 TYR Y H H 4 <>TS+ 0 0 -70.2 -42.8 179.9 31.1 118.5 22.9 20 -1.7 28 -3.4 0 0.0 0 0.0 15 32
24 24 ARG R H H < 5TS+ 0 0 -82.1 -42.9 -179.5 45.0 125.0 26.4 20 -1.8 0 0.0 0 0.0 0 0.0 17 33
25 25 LEU L H H < 5TS- 0 0 -78.8 -7.8 -179.8 -3.3 138.7 55.4 21 -3.4 0 0.0 0 0.0 0 0.0 10 33
26 26 SER S T h < 5TS+ 0 0 -150.8 -44.4 -179.5 51.3 126.3 60.2 22 -1.2 0 0.0 0 0.0 0 0.0 10 31
27 27 PHE F T T XT + 0 0 -108.5 31.0 179.6 141.0 69.5 100.3 23 -3.4 33 -2.8 0 0.0 31 -2.6 19 34
29 29 ARG R T T 35T + 0 0 -55.5 2.2 179.9 80.6 64.1 60.0 0 0.0 0 0.0 0 0.0 0 0.0 15 32
30 30 LYS K T T 35TS- 0 0 -79.7 -32.3 -179.8 -49.7 126.3 36.6 0 0.0 0 0.0 0 0.0 0 0.0 12 29
31 31 THR T T T > <5TS+ 0 0 -166.7 -56.7 -179.3 58.6 135.4 82.9 28 -2.6 35 -1.3 0 0.0 0 0.0 11 33
32 32 CYS C T T 4 5TS+ 0 0 -57.7 -29.1 -179.8 33.1 124.5 34.6 0 0.0 0 0.0 0 0.0 0 0.0 15 33
33 33 GLY G T T 4 >555>3<<>33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>><<>4<<< >444< 4-turns
summary SSgGGGghHHHHHHhHHHHHhTtTTTTTTt summary
sequence RSCIDTIPKSRCTAFQCKHSMKYRLSFCRKTCGTC sequence
10 20 30