Secondary structure calculation program - copyright by David Keith Smith, 1989
1e0hA.pdb
1E0H BACTERIOCIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 86
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 MET M 0 0 999.9 124.2 178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
2 A 2 GLU E + 0 0 -92.5 171.6 -177.0 164.3 999.9 116.2 0 0.0 0 0.0 0 0.0 0 0.0 3 36
3 A 3 LEU L - 0 0 -140.8 -77.3 -170.9 -144.0 29.3 74.4 0 0.0 0 0.0 0 0.0 0 0.0 7 41
4 A 4 LYS K - 0 0 108.0 -175.7 -167.9 -115.5 16.9 136.0 0 0.0 0 0.0 0 0.0 0 0.0 7 33
5 A 5 HIS H S S S+ 0 0 -132.8 -24.6 159.3 22.6 95.7 63.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
6 A 6 SER S S g > TS- 0 0 -128.4 162.8 158.5 -118.3 77.1 159.1 0 0.0 9 -0.6 0 0.0 0 0.0 7 29
7 A 7 ILE I G G > TS+ 0 0 -54.3 -23.4 -158.4 62.9 116.7 47.8 43 -0.6 10 -0.6 0 0.0 0 0.0 12 40
8 A 8 SER S G G 3 TS+ 0 0 -103.4 -18.5 159.6 67.4 81.6 51.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
9 A 9 ASP D G G < TS+ 0 0 -72.4 4.9 176.2 57.8 108.2 66.7 6 -0.6 0 0.0 0 0.0 0 0.0 9 27
10 A 10 TYR Y S g < TS- 0 0 -138.8 157.9 -173.0 -133.2 76.6 158.8 7 -0.6 84 -2.5 0 0.0 0 0.0 12 31
11 A 11 THR T B h > a T - 84 0 -92.9 177.8 171.3 -100.3 36.7 113.9 0 0.0 15 -2.6 0 0.0 0 0.0 12 34
12 A 12 GLU E H H > TS+ 0 0 -73.7 -18.1 171.8 51.1 126.8 44.2 84 -0.6 16 -1.4 0 0.0 0 0.0 9 40
13 A 13 ALA A H H > TS+ 0 0 -77.7 -38.7 171.9 49.0 111.5 27.5 0 0.0 17 -2.5 0 0.0 0 0.0 6 31
14 A 14 GLU E H H > TS+ 0 0 -57.6 -47.4 178.4 43.7 115.1 24.5 0 0.0 18 -1.6 0 0.0 0 0.0 8 39
15 A 15 PHE F H H X TS+ 0 0 -67.4 -38.8 -174.2 53.4 111.6 32.2 11 -2.6 19 -2.9 0 0.0 0 0.0 11 54
16 A 16 LEU L H H X TS+ 0 0 -68.4 -35.6 173.6 44.2 112.4 23.3 12 -1.4 20 -2.1 0 0.0 0 0.0 11 49
17 A 17 GLN Q H H X TS+ 0 0 -68.5 -36.0 -175.3 56.2 110.0 35.1 13 -2.5 21 -1.9 0 0.0 0 0.0 8 42
18 A 18 LEU L H H X > TS+ 0 0 -64.8 -49.3 174.4 43.7 110.8 11.0 14 -1.6 22 -1.2 0 0.0 21 -0.7 10 52
19 A 19 VAL V H H X > TS+ 0 0 -55.1 -47.3 -175.0 52.8 113.5 21.8 15 -2.9 23 -3.1 0 0.0 22 -1.0 16 54
20 A 20 THR T H H < 3 TS+ 0 0 -70.2 -23.0 170.0 57.9 102.2 42.1 16 -2.1 0 0.0 0 0.0 0 0.0 10 40
21 A 21 THR T H H X <>TS+ 0 0 -67.5 -30.8 -177.6 42.4 112.2 40.4 17 -1.9 26 -1.5 18 -0.7 25 -1.2 11 39
22 A 22 ILE I H H < <5TS+ 0 0 -86.0 -49.4 163.5 48.5 113.2 21.4 18 -1.2 0 0.0 19 -1.0 0 0.0 12 44
23 A 23 CYS C T h < 5TS+ 0 0 -59.9 -7.2 171.9 43.3 120.9 57.7 19 -3.1 0 0.0 0 0.0 0 0.0 7 41
24 A 24 ASN N T T 4 5TS- 0 0 -110.0 -17.7 -174.8 -138.3 94.7 50.6 0 0.0 0 0.0 0 0.0 0 0.0 6 31
25 A 25 ALA A T T < 5T + 0 0 54.3 32.9 177.6 162.6 43.9 40.9 21 -1.2 27 -0.5 0 0.0 0 0.0 10 28
26 A 26 ASP D t TS+ 0 0 -153.8 -4.3 -157.8 50.0 125.8 74.2 0 0.0 34 -1.2 0 0.0 0 0.0 8 18
31 A 31 GLU E H H > TS+ 0 0 -111.4 -63.8 158.5 46.5 104.2 21.0 0 0.0 35 -2.2 0 0.0 0 0.0 8 22
32 A 32 GLU E H H > TS+ 0 0 -45.8 -37.3 175.6 62.1 113.7 33.0 0 0.0 36 -2.7 0 0.0 0 0.0 10 27
33 A 33 LEU L H H > TS+ 0 0 -57.4 -62.3 175.1 39.5 105.5 14.0 0 0.0 37 -2.8 0 0.0 0 0.0 14 33
34 A 34 VAL V H H X TS+ 0 0 -55.0 -28.4 -176.8 49.9 120.4 38.8 30 -1.2 38 -2.0 0 0.0 0 0.0 8 33
35 A 35 LYS K H H X TS+ 0 0 -84.6 -34.4 176.4 46.8 109.7 34.9 31 -2.2 39 -2.7 0 0.0 0 0.0 8 33
36 A 36 LEU L H H X TS+ 0 0 -75.2 -32.3 172.1 55.7 111.1 36.4 32 -2.7 40 -1.6 0 0.0 0 0.0 12 46
37 A 37 VAL V H H X > TS+ 0 0 -56.3 -56.7 -173.2 39.9 113.1 9.8 33 -2.8 41 -2.0 0 0.0 40 -0.8 13 50
38 A 38 THR T H H X 3 TS+ 0 0 -69.5 -38.5 168.6 60.2 108.4 31.2 34 -2.0 42 -2.5 0 0.0 0 0.0 9 38
39 A 39 HIS H H H X 3 TS+ 0 0 -55.7 -33.0 172.9 47.4 108.0 32.0 35 -2.7 43 -2.5 0 0.0 0 0.0 9 46
40 A 40 PHE F H H X < TS+ 0 0 -66.8 -57.7 177.5 48.6 111.6 9.5 36 -1.6 44 -1.7 37 -0.8 0 0.0 10 59
41 A 41 GLU E H H < TS+ 0 0 -43.3 -36.3 -177.2 39.7 120.8 39.4 37 -2.0 0 0.0 0 0.0 0 0.0 12 40
42 A 42 GLU E H H < > TS+ 0 0 -77.8 -56.5 -158.8 54.4 111.9 20.3 38 -2.5 45 -1.2 0 0.0 0 0.0 8 37
43 A 43 MET M H H < 3 TS+ 0 0 -60.8 -50.7 -162.9 39.7 107.3 38.0 39 -2.5 7 -0.6 0 0.0 0 0.0 10 46
44 A 44 THR T T h < 3 TS- 0 0 -91.7 4.1 -170.8 -128.2 91.3 69.7 40 -1.7 0 0.0 0 0.0 0 0.0 9 50
45 A 45 GLU E t < T + 0 0 52.5 25.5 -160.3 170.3 56.3 36.6 42 -1.2 0 0.0 0 0.0 0 0.0 6 35
46 A 46 HIS H t > T - 0 0 -87.7 132.3 170.3 -137.3 41.7 128.4 0 0.0 49 -1.0 0 0.0 0 0.0 11 38
47 A 47 PRO P T T 3 TS+ 0 0 -30.3 -61.4 -158.3 40.9 94.9 39.3 0 0.0 0 0.0 0 0.0 0 0.0 4 32
48 A 48 SER S T g > T + 0 0 -109.0 31.8 171.8 150.6 61.8 102.4 0 0.0 51 -2.6 0 0.0 0 0.0 7 34
49 A 49 GLY G G G X TS+ 0 0 -18.6 -69.7 -179.6 36.1 84.6 33.9 46 -1.0 52 -1.3 0 0.0 0 0.0 11 41
50 A 50 SER S G G 3>TS+ 0 0 -69.0 -3.0 -158.2 49.3 123.6 59.6 0 0.0 55 -0.6 0 0.0 0 0.0 9 34
51 A 51 ASP D G G <5TS+ 0 0 -140.9 8.6 158.4 53.1 104.0 87.6 48 -2.6 0 0.0 0 0.0 0 0.0 8 37
52 A 52 LEU L T g <5TS+ 0 0 -129.1 38.4 -179.1 55.2 107.2 97.7 49 -1.3 0 0.0 0 0.0 0 0.0 13 46
53 A 53 ILE I T T 5TS- 0 0 -133.1 -37.7 178.4 -27.0 128.7 54.3 0 0.0 0 0.0 0 0.0 0 0.0 12 50
54 A 54 TYR Y T T 5TS+ 0 0 -148.9 -40.9 179.0 63.1 122.5 60.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
55 A 55 TYR Y S t TS- 0 0 -52.4 154.1 -178.9 -93.4 78.2 110.0 0 0.0 67 -2.8 0 0.0 0 0.0 6 31
64 A 64 PRO P T T 4 TS+ 0 0 -53.1 -11.3 159.9 34.1 133.6 55.3 0 0.0 0 0.0 0 0.0 0 0.0 11 40
65 A 65 SER S T h > > TS+ 0 0 -92.1 -60.3 177.9 58.9 110.9 39.9 0 0.0 69 -3.1 0 0.0 68 -0.6 10 33
66 A 66 GLY G H H > 3 TS+ 0 0 -43.3 -41.1 175.0 53.1 105.7 33.5 0 0.0 70 -1.0 0 0.0 0 0.0 9 38
67 A 67 ILE I H H X 3 TS+ 0 0 -66.1 -38.1 177.4 43.7 110.6 26.9 63 -2.8 71 -1.6 0 0.0 0 0.0 13 49
68 A 68 VAL V H H > < TS+ 0 0 -70.0 -35.5 167.3 55.6 113.6 25.0 65 -0.6 72 -2.0 0 0.0 0 0.0 13 57
69 A 69 ASN N H H < TS+ 0 0 -56.3 -29.0 -172.4 62.4 96.6 42.0 65 -3.1 0 0.0 0 0.0 0 0.0 8 45
70 A 70 THR T H H X > TS+ 0 0 -75.9 -38.3 167.8 42.0 108.5 18.8 66 -1.0 74 -2.5 0 0.0 73 -1.2 11 45
71 A 71 VAL V H H X 3 TS+ 0 0 -61.4 -43.2 -173.7 64.9 105.7 24.0 67 -1.6 75 -2.2 0 0.0 0 0.0 12 52
72 A 72 LYS K H H < 3 TS+ 0 0 -65.1 3.3 -172.0 39.0 110.0 64.3 68 -2.0 0 0.0 0 0.0 0 0.0 8 46
73 A 73 GLN Q H H > < TS+ 0 0 -122.9 -44.5 163.2 41.8 120.0 50.2 70 -1.2 77 -1.9 0 0.0 0 0.0 9 30
74 A 74 TRP W H H X > TS+ 0 0 -63.8 -65.0 174.2 44.0 121.0 5.1 70 -2.5 78 -3.6 0 0.0 77 -0.9 11 33
75 A 75 ARG R H H < 3 TS+ 0 0 -55.7 -11.0 173.6 46.5 119.4 54.6 71 -2.2 81 -1.0 0 0.0 0 0.0 12 35
76 A 76 ALA A H H 4 3 TS+ 0 0 -99.8 -26.2 -177.1 37.4 118.2 44.0 0 0.0 0 0.0 0 0.0 0 0.0 10 22
77 A 77 ALA A H H < < TS+ 0 0 -94.9 -35.6 162.3 42.9 122.7 37.3 73 -1.9 0 0.0 74 -0.9 0 0.0 7 18
78 A 78 ASN N S h < TS- 0 0 -75.5 -13.2 169.4 -138.0 110.5 60.6 74 -3.6 0 0.0 0 0.0 0 0.0 7 19
79 A 79 GLY G + 0 0 66.2 22.5 -167.3 165.0 41.8 47.4 0 0.0 0 0.0 0 0.0 0 0.0 7 18
80 A 80 LYS K + 0 0 -35.7 -54.6 -161.7 178.5 10.5 41.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
81 A 81 SER S + 0 0 64.3 -166.1 159.4 122.6 27.4 110.7 75 -1.0 0 0.0 0 0.0 0 0.0 6 29
82 A 82 GLY G + 0 0 99.5 19.3 157.7 109.6 34.9 49.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
83 A 83 PHE F - 0 0 -93.8 175.9 158.7 -108.5 63.6 131.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
84 A 84 LYS K B B a - 11 0 -73.8 -175.7 -164.3 -139.4 16.2 90.0 10 -2.5 12 -0.6 0 0.0 0 0.0 9 26
85 A 85 GLN Q 0 0 -118.3 -83.7 -168.4 999.9 999.9 43.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
86 A 86 GLY G 0 0 158.7 999.9 999.9 999.9 999.9 142.6 0 0.0 0 0.0 0 0.0 0 0.0 3 15
1e0hA.pdb
1E0H BACTERIOCIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSGGGSBHHHHHHHHHHHTTT SSSSHHHHHHHHHHHHHT TTGGGTTTS SS STTHHHHHHHHHHHHS B Kabs/Sand
chirality +--+-+++--++++++++++++-++--+++++++++++++++-+-++++++-++++-+-++-++++++++++++++-++++-- chirality
bends SSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS S SSSSSSS SS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >>3<< >33< >33<>3>X3<< >33< >33<>33< 3-turns
bridge-2 bridge-2
bridge-1 a a bridge-1
sheets sheets
4-turns >>>>XXXXX>>>XXXXXXX<<<< >4>>X>X<4<< 4-turns
summary SgGGGghHHHHHHHHHHHhTTtSSShHHHHHHHHHHHHHhttTgGGGgTTt SS tThHHHHHHHHHHHHh B summary
sequence MELKHSISDYTEAEFLQLVTTICNADTSSEEELVKLVTHFEEMTEHPSGSDLIYYPKEGDDDSPSGIVNTVKQWRAANGKSGFKQG sequence
10 20 30 40 50 60 70 80