Secondary structure calculation program - copyright by David Keith Smith, 1989
1bk8-.pdb
1BK8 PLANT DEFENSIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 50
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 LEU L 0 0 999.9 114.8 -169.7 999.9 999.9 999.9 0 0.0 3 -1.9 0 0.0 0 0.0 5 13
2 2 CYS C - 0 0 -78.0 79.9 -174.6 -161.0 999.9 119.3 0 0.0 4 -0.7 0 0.0 0 0.0 8 20
3 3 ASN N E E AA - 48 0 -73.3 109.0 -178.5 -142.4 11.3 120.5 1 -1.9 48 -1.4 48 -0.9 5 -1.3 9 25
4 4 GLU E E E AA - 47 0 -73.8 90.0 -177.2 -179.2 28.7 124.7 2 -0.7 0 0.0 0 0.0 0 0.0 8 34
5 5 ARG R E E AA - 46 0 -98.1 139.9 -175.2 -109.0 25.9 136.8 46 -2.4 46 -2.6 3 -1.3 0 0.0 8 35
6 6 PRO P - 0 0 -67.7 172.0 -179.1 -57.8 53.7 91.6 0 0.0 0 0.0 0 0.0 0 0.0 8 38
7 7 SER S + 0 0 -55.0 105.5 170.0 158.6 58.2 110.9 0 0.0 0 0.0 0 0.0 0 0.0 10 43
8 8 GLN Q S S S+ 0 0 -84.9 -61.5 -177.1 19.3 84.7 28.3 0 0.0 0 0.0 0 0.0 0 0.0 7 35
9 9 THR T S S S+ 0 0 -74.8 -53.5 -176.8 77.5 115.0 25.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
10 10 TRP W S S S- 0 0 -64.7 150.4 -175.2 -146.1 71.7 106.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
11 11 SER S - 0 0 -90.9 -132.0 -177.5 -37.8 48.2 57.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
12 12 GLY G S S S+ 0 0 -61.8 -95.4 -170.2 20.8 111.3 13.4 0 0.0 0 0.0 0 0.0 0 0.0 7 25
13 13 ASN N - 0 0 -92.7 152.6 -172.7 -154.9 64.0 121.0 0 0.0 0 0.0 0 0.0 0 0.0 8 29
14 14 CYS C + 0 0 -127.1 151.2 179.0 139.8 33.1 150.8 42 -0.7 0 0.0 0 0.0 0 0.0 14 32
15 15 GLY G + 0 0 -156.7 -51.2 175.5 75.4 63.2 78.3 0 0.0 17 -2.4 0 0.0 0 0.0 6 26
16 16 ASN N h > T + 0 0 -73.8 75.5 -177.9 170.8 55.5 117.5 0 0.0 20 -2.7 0 0.0 0 0.0 7 28
17 17 THR T H H > TS+ 0 0 -62.9 -28.7 171.9 62.1 74.1 37.1 15 -2.4 21 -2.7 0 0.0 0 0.0 11 32
18 18 ALA A H H > TS+ 0 0 -59.8 -46.1 174.8 41.6 109.0 19.3 0 0.0 22 -1.0 0 0.0 0 0.0 7 27
19 19 HIS H H H > > TS+ 0 0 -63.0 -52.1 178.6 54.3 112.7 14.4 0 0.0 23 -2.9 0 0.0 22 -1.4 7 33
20 20 CYS C H H < 3 TS+ 0 0 -44.0 -46.4 -174.6 57.6 102.9 28.0 16 -2.7 0 0.0 0 0.0 0 0.0 16 40
21 21 ASP D H H X 3 TS+ 0 0 -62.9 -31.2 174.2 35.2 115.7 36.6 17 -2.7 25 -0.7 0 0.0 0 0.0 13 40
22 22 LYS K H H X < TS+ 0 0 -85.2 -36.6 -174.2 70.9 104.7 34.7 19 -1.4 26 -3.2 18 -1.0 24 -2.0 11 31
23 23 GLN Q H H < TS+ 0 0 -79.0 47.5 -170.6 35.7 109.7 100.2 19 -2.9 0 0.0 0 0.0 0 0.0 12 37
24 24 CYS C H H 4 TS+ 0 0 -166.3 -48.5 177.9 46.9 119.5 80.5 22 -2.0 30 -2.5 0 0.0 0 0.0 17 39
25 25 GLN Q H H < TS+ 0 0 -74.5 -49.0 -172.7 26.2 125.7 26.0 21 -0.7 0 0.0 0 0.0 0 0.0 13 34
26 26 ASP D S h < TS+ 0 0 -85.3 -50.2 -170.1 35.7 130.3 23.1 22 -3.2 0 0.0 0 0.0 0 0.0 8 27
27 27 TRP W S S S+ 0 0 -73.9 -66.3 167.0 17.4 134.5 4.3 0 0.0 0 0.0 0 0.0 0 0.0 8 25
28 28 GLU E S S S- 0 0 -73.9 -142.1 -172.9 -107.5 98.5 70.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
29 29 LYS K + 0 0 -160.5 51.7 174.2 138.4 63.2 108.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
30 30 ALA A - 0 0 -87.2 170.6 167.7 -113.4 65.7 115.5 24 -2.5 0 0.0 0 0.0 0 0.0 12 32
31 31 SER S S S S- 0 0 -67.0 -49.3 174.7 -50.5 87.6 20.2 47 -2.1 0 0.0 0 0.0 0 0.0 12 30
32 32 HIS H E E AB - 47 0 -161.3 -164.3 173.3 -121.7 55.5 151.7 47 -1.8 47 -2.9 0 0.0 0 0.0 11 38
33 33 GLY G E E AB - 46 0 -145.9 171.0 176.8 -171.7 14.4 154.9 0 0.0 0 0.0 0 0.0 0 0.0 16 44
34 34 ALA A E E AB - 45 0 -165.2 142.0 179.6 -110.9 28.4 155.0 45 -2.6 45 -2.8 0 0.0 0 0.0 12 44
35 35 CYS C E E AB + 44 0 -73.9 140.6 168.2 171.4 39.2 121.0 0 0.0 0 0.0 0 0.0 0 0.0 13 37
36 36 HIS H E E AB - 43 0 -145.3 149.4 173.1 -117.3 32.8 167.4 43 -2.4 43 -2.9 0 0.0 0 0.0 10 34
37 37 LYS K E E AB + 42 0 -83.0 132.1 172.6 166.8 36.0 128.2 0 0.0 0 0.0 0 0.0 0 0.0 8 26
38 38 ARG R E E AB > TS- 41 0 -141.9 128.4 -179.8 -8.8 74.0 164.3 41 -2.2 41 -2.5 0 0.0 0 0.0 7 21
39 39 GLU E T T 3 TS- 0 0 48.6 41.2 -178.5 -57.7 130.6 31.0 0 0.0 0 0.0 0 0.0 0 0.0 4 15
40 40 ASN N T T 3 TS+ 0 0 62.3 20.4 174.9 112.6 118.5 51.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
41 41 HIS H E E A B< T - 0 38 -118.8 119.8 174.2 -138.9 65.2 170.3 38 -2.5 38 -2.2 0 0.0 43 -0.9 10 21
42 42 TRP W E E A B - 0 37 -75.3 104.3 177.3 -170.7 29.4 135.1 0 0.0 14 -0.7 0 0.0 0 0.0 12 31
43 43 LYS K E E A B - 0 36 -95.8 140.0 159.9 -125.1 27.7 145.6 36 -2.9 36 -2.4 41 -0.9 45 -0.9 15 36
44 44 CYS C E E A B - 0 35 -69.6 106.9 170.7 -159.0 34.7 139.2 0 0.0 0 0.0 0 0.0 0 0.0 16 44
45 45 PHE F E E A B - 0 34 -88.3 142.2 172.2 -142.9 3.8 142.5 34 -2.8 34 -2.6 43 -0.9 0 0.0 14 47
46 46 CYS C E E AAB - 5 33 -97.6 156.0 -173.6 -150.4 4.9 130.9 5 -2.6 5 -2.4 0 0.0 0 0.0 19 44
47 47 TYR Y E E AAB - 4 32 -134.2 104.1 -175.9 -174.3 19.8 161.4 32 -2.9 31 -2.1 0 0.0 32 -1.8 15 37
48 48 PHE F E E AA + 3 0 -93.7 178.9 164.4 11.3 57.9 114.8 3 -1.4 3 -0.9 0 0.0 0 0.0 13 30
49 49 ASN N 0 0 32.2 45.9 -163.8 999.9 999.9 46.6 0 0.0 0 0.0 0 0.0 0 0.0 8 19
50 50 CYS C 0 0 -82.1 999.9 999.9 999.9 999.9 1.3 0 0.0 0 0.0 0 0.0 0 0.0 7 19
1bk8-.pdb
1BK8 PLANT DEFENSIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEE SSS S HHHHHHHHHSSS SEEEEEEETTEEEEEEEE Kabs/Sand
chirality -----+++--+-++++++++++++++-+-----+-+--+-------+ chirality
bends SSS S SSSSSSSSSSSS S SSS bends
turns TTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 BBBBBBB bridge-2
bridge-1 AAA BBBBBBB AAA bridge-1
sheets AAA AAAAAAA AAAAAAAA sheets
4-turns >>>>