Secondary structure calculation program - copyright by David Keith Smith, 1989
1erp-.pdb
1ERP PHEROMONE PHEROMONE ER-10 (NMR, 20 STRUCTURES) (EUPLOTES RAIKOVI)
Sequence length - 38
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 ASP D h > T 0 0 999.9 -157.9 -177.2 999.9 999.9 999.9 0 0.0 5 -3.4 0 0.0 0 0.0 4 20
2 2 LEU L H H > T + 0 0 -53.7 -40.5 176.7 50.0 999.9 29.4 0 0.0 6 -2.2 0 0.0 0 0.0 8 25
3 3 CYS C H H > TS+ 0 0 -59.7 -63.6 175.5 41.6 113.8 7.8 0 0.0 7 -1.3 0 0.0 0 0.0 13 30
4 4 GLU E H H > > TS+ 0 0 -47.8 -51.3 178.2 57.3 112.6 20.8 0 0.0 8 -2.9 0 0.0 7 -1.2 9 30
5 5 GLN Q H H X 3 TS+ 0 0 -50.2 -43.6 177.2 55.4 101.4 28.3 1 -3.4 9 -3.3 0 0.0 0 0.0 11 28
6 6 SER S H H < 3>TS+ 0 0 -63.9 -26.5 172.1 41.8 113.4 35.5 2 -2.2 11 -3.0 0 0.0 0 0.0 16 34
7 7 ALA A H H < X5TS+ 0 0 -75.5 -50.5 -171.2 42.8 119.7 20.4 3 -1.3 10 -0.6 4 -1.2 0 0.0 14 37
8 8 LEU L H H < 35TS+ 0 0 -67.7 -45.5 -180.0 37.4 122.0 28.2 4 -2.9 0 0.0 0 0.0 0 0.0 7 33
9 9 GLN Q T h < 35TS- 0 0 -89.4 0.7 176.7 -115.7 113.4 66.8 5 -3.3 0 0.0 0 0.0 0 0.0 6 29
10 10 CYS C T T <5T + 0 0 62.0 73.4 -178.0 162.0 53.1 3.6 7 -0.6 0 0.0 0 0.0 0 0.0 9 34
11 11 ASN N h > TS+ 0 0 -42.8 -41.3 -172.4 55.4 89.5 30.3 0 0.0 16 -1.0 0 0.0 0 0.0 12 34
13 13 GLN Q H H > > TS+ 0 0 -64.2 -57.9 176.0 43.7 109.2 11.4 0 0.0 17 -2.7 0 0.0 16 -1.7 8 30
14 14 GLY G H H > 3>TS+ 0 0 -51.8 -43.8 176.3 63.6 105.5 28.5 0 0.0 19 -2.4 0 0.0 18 -2.3 12 31
15 15 CYS C H H < 35TS+ 0 0 -57.7 -24.4 170.3 28.2 118.0 43.0 11 -2.8 0 0.0 0 0.0 0 0.0 17 33
16 16 HIS H H H < <5TS+ 0 0 -95.9 -33.8 -164.4 38.3 131.0 45.5 13 -1.7 0 0.0 12 -1.0 0 0.0 11 31
17 17 ASN N H H < 5TS+ 0 0 -91.3 -47.4 -177.6 23.0 129.6 27.5 13 -2.7 0 0.0 0 0.0 0 0.0 7 26
18 18 PHE F T h < 5TS+ 0 0 -90.0 -50.5 179.1 72.9 111.0 30.1 14 -2.3 0 0.0 0 0.0 0 0.0 10 28
19 19 CYS C S t T - 0 0 -71.5 167.8 172.2 -99.1 33.7 106.3 0 0.0 24 -2.8 0 0.0 0 0.0 10 25
21 21 PRO P T T 4 TS+ 0 0 -59.4 -21.5 -179.6 54.8 125.9 42.8 0 0.0 0 0.0 0 0.0 0 0.0 7 23
22 22 GLU E T h > TS+ 0 0 -77.9 -47.5 -179.6 36.3 114.4 22.4 0 0.0 26 -0.7 0 0.0 0 0.0 7 20
23 23 ASP D H H > TS+ 0 0 -74.7 -28.2 178.5 90.8 97.3 35.9 0 0.0 27 -2.7 0 0.0 0 0.0 10 30
24 24 LYS K H H X >TS+ 0 0 -31.9 -64.9 178.8 35.1 93.6 36.1 20 -2.8 28 -2.8 0 0.0 29 -0.7 12 31
25 25 PRO P H H > >TS+ 0 0 -62.1 -44.9 175.2 54.8 117.7 19.9 0 0.0 30 -0.9 0 0.0 29 -0.7 10 28
26 26 GLY G H H < 5TS+ 0 0 -50.7 -37.8 -176.9 31.4 121.1 34.0 22 -0.7 0 0.0 0 0.0 0 0.0 8 32
27 27 CYS C H H X 5TS+ 0 0 -86.9 -67.4 -174.2 28.9 131.2 19.0 23 -2.7 31 -3.2 0 0.0 0 0.0 15 36
28 28 LEU L H H X 5TS+ 0 0 -66.1 -53.6 178.0 53.4 119.6 20.0 24 -2.8 32 -3.6 0 0.0 0 0.0 13 36
29 29 GLY G H H < X TS- 0 0 -68.0 113.7 -178.9 -149.6 70.3 127.9 30 -1.6 36 -2.4 0 0.0 37 -1.8 9 22
34 34 PRO P T T 4 3 TS+ 0 0 -62.4 -15.4 172.1 75.3 92.0 46.1 0 0.0 0 0.0 0 0.0 0 0.0 7 17
35 35 GLU E T T 4 3 TS+ 0 0 -62.0 -29.2 178.5 22.9 112.3 38.8 0 0.0 0 0.0 0 0.0 0 0.0 5 15
36 36 LEU L T T 4 < TS+ 0 0 -102.0 -55.7 -179.8 17.8 140.4 32.9 33 -2.4 0 0.0 0 0.0 0 0.0 8 20
37 37 CYS C t < T 0 0 -123.4 97.2 -179.5 999.9 999.9 154.1 33 -1.8 0 0.0 31 -0.6 0 0.0 8 22
38 38 PRO P 0 0 -79.1 999.9 999.9 999.9 999.9 41.5 0 0.0 0 0.0 0 0.0 0 0.0 6 16
1erp-.pdb
1ERP PHEROMONE PHEROMONE ER-10 (NMR, 20 STRUCTURES) (EUPLOTES RAIKOVI)
author author
Kabs/Sand HHHHHHHTT HHHHHHTS TTHHHHHHHHHTSTTT Kabs/Sand
chirality +++++++-+-+++++++--++++++++++++-+++ chirality
bends SSSSSSS SSSSSSSS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >>555<< 5-turns
3-turns >33X33< >33< >33X33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>X<<<< >>>><<<< >4>>X>444< 4-turns
summary hHHHHHHHhThHHHHHHhttThHHHHHHHHHhtTTTt summary
sequence DLCEQSALQCNEQGCHNFCSPEDKPGCLGMVWNPELCP sequence
10 20 30