Secondary structure calculation program - copyright by David Keith Smith, 1989
1colA.pdb
1COL ANTIBACTERIAL PROTEIN COLICIN *A (C-TERMINAL DOMAIN) (PORE-FORMING DOMAI (ESCHERICHIA $COLI)
Sequence length - 197
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 5 ALA A 0 0 999.9 171.8 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 25
2 A 6 LYS K + 0 0 -131.3 -17.3 178.8 68.9 999.9 81.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
3 A 7 ASP D S h > TS+ 0 0 -92.0 6.1 176.5 72.3 82.1 72.0 0 0.0 7 -1.6 0 0.0 0 0.0 7 28
4 A 8 GLU E H H > TS+ 0 0 -88.5 -27.8 177.7 55.3 92.2 51.5 0 0.0 8 -1.7 0 0.0 0 0.0 11 39
5 A 9 ARG R H H > TS+ 0 0 -77.0 -28.4 179.6 57.0 104.7 36.6 0 0.0 9 -1.6 0 0.0 0 0.0 11 35
6 A 10 GLU E H H > TS+ 0 0 -64.9 -65.0 178.7 40.7 108.8 8.2 0 0.0 10 -2.0 0 0.0 0 0.0 9 39
7 A 11 LEU L H H X TS+ 0 0 -51.0 -41.8 -178.6 55.0 114.2 38.4 3 -1.6 11 -1.4 0 0.0 0 0.0 13 51
8 A 12 LEU L H H X TS+ 0 0 -59.4 -42.9 -178.2 46.9 109.5 27.8 4 -1.7 12 -1.9 0 0.0 0 0.0 16 54
9 A 13 GLU E H H X TS+ 0 0 -70.4 -50.3 178.6 47.8 111.1 20.4 5 -1.6 13 -1.4 0 0.0 0 0.0 10 44
10 A 14 LYS K H H X TS+ 0 0 -65.1 -26.9 177.7 54.3 112.5 36.0 6 -2.0 14 -1.0 0 0.0 0 0.0 10 48
11 A 15 THR T H H X TS+ 0 0 -73.0 -44.7 -179.3 51.2 103.9 28.7 7 -1.4 15 -1.9 0 0.0 0 0.0 15 61
12 A 16 SER S H H X TS+ 0 0 -66.2 -26.6 179.3 60.9 103.8 36.5 8 -1.9 16 -3.5 0 0.0 0 0.0 13 56
13 A 17 GLU E H H X TS+ 0 0 -66.3 -37.8 -179.8 46.5 105.8 22.5 9 -1.4 17 -2.2 0 0.0 0 0.0 9 45
14 A 18 LEU L H H X TS+ 0 0 -69.9 -40.5 -179.6 49.3 112.5 26.8 10 -1.0 18 -1.5 0 0.0 0 0.0 11 55
15 A 19 ILE I H H X TS+ 0 0 -65.6 -46.1 179.6 49.3 111.3 20.1 11 -1.9 19 -2.1 0 0.0 0 0.0 15 60
16 A 20 ALA A H H X TS+ 0 0 -59.5 -42.8 178.6 50.2 111.3 25.9 12 -3.5 20 -1.4 0 0.0 0 0.0 12 49
17 A 21 GLY G H H X TS+ 0 0 -60.7 -34.9 179.4 53.2 106.9 36.7 13 -2.2 21 -2.4 0 0.0 0 0.0 9 47
18 A 22 MET M H H X TS+ 0 0 -64.9 -47.6 178.9 57.0 105.6 26.5 14 -1.5 22 -2.5 0 0.0 0 0.0 14 56
19 A 23 GLY G H H X TS+ 0 0 -56.7 -40.3 177.1 44.1 109.5 29.6 15 -2.1 23 -1.2 0 0.0 0 0.0 14 54
20 A 24 ASP D H H X TS+ 0 0 -68.2 -61.6 -179.4 46.5 114.4 13.0 16 -1.4 24 -1.9 0 0.0 0 0.0 9 40
21 A 25 LYS K H H < > TS+ 0 0 -46.5 -56.2 -177.5 36.4 122.9 17.4 17 -2.4 24 -0.6 0 0.0 0 0.0 9 44
22 A 26 ILE I H H X > TS+ 0 0 -74.4 -20.8 179.4 65.7 107.3 49.0 18 -2.5 26 -2.2 0 0.0 25 -0.6 14 47
23 A 27 GLY G H H X 3 TS+ 0 0 -71.7 -29.3 176.9 71.5 88.4 38.1 19 -1.2 27 -2.9 0 0.0 0 0.0 13 43
24 A 28 GLU E H H < < TS+ 0 0 -53.8 -35.8 -179.3 22.7 114.4 32.2 20 -1.9 0 0.0 21 -0.6 0 0.0 8 35
25 A 29 HIS H H H 4 < TS+ 0 0 -103.4 -33.0 -174.3 37.8 133.3 43.0 22 -0.6 0 0.0 0 0.0 0 0.0 9 33
26 A 30 LEU L H H < TS- 0 0 -97.9 -15.7 179.5 -133.9 105.6 48.9 22 -2.2 0 0.0 0 0.0 0 0.0 11 40
27 A 31 GLY G h X > T - 0 0 98.4 175.5 -177.3 -44.8 32.9 105.1 23 -2.9 31 -1.8 0 0.0 30 -0.6 9 33
28 A 32 ASP D H H > 3 TS+ 0 0 -59.4 -41.8 -179.4 61.5 123.9 40.6 0 0.0 32 -2.5 0 0.0 0 0.0 8 29
29 A 33 LYS K H H > 3 TS+ 0 0 -56.6 -40.0 -178.0 43.7 109.9 27.4 0 0.0 33 -1.9 0 0.0 0 0.0 10 35
30 A 34 TYR Y H H > < TS+ 0 0 -68.0 -43.9 -179.5 57.1 108.0 27.6 27 -0.6 34 -2.8 0 0.0 0 0.0 13 48
31 A 35 LYS K H H X TS+ 0 0 -53.4 -44.5 -178.1 47.3 110.6 18.9 27 -1.8 35 -1.6 0 0.0 0 0.0 14 44
32 A 36 ALA A H H X TS+ 0 0 -66.1 -43.9 179.5 49.0 109.3 32.8 28 -2.5 36 -2.3 0 0.0 0 0.0 9 42
33 A 37 ILE I H H X TS+ 0 0 -63.2 -44.6 -177.9 50.1 112.6 19.7 29 -1.9 37 -2.2 0 0.0 0 0.0 13 53
34 A 38 ALA A H H X TS+ 0 0 -61.3 -35.7 -177.2 46.7 112.2 33.4 30 -2.8 38 -2.0 0 0.0 0 0.0 13 63
35 A 39 LYS K H H X TS+ 0 0 -77.9 -33.6 177.3 52.3 109.9 27.0 31 -1.6 39 -1.5 0 0.0 0 0.0 11 49
36 A 40 ASP D H H X TS+ 0 0 -65.9 -36.1 178.9 48.7 111.7 30.9 32 -2.3 40 -1.7 0 0.0 0 0.0 8 45
37 A 41 ILE I H H X TS+ 0 0 -65.5 -48.0 178.7 53.3 108.0 20.4 33 -2.2 41 -2.2 0 0.0 0 0.0 13 57
38 A 42 ALA A H H X TS+ 0 0 -60.1 -32.0 176.7 52.6 106.8 43.6 34 -2.0 42 -1.8 0 0.0 0 0.0 13 55
39 A 43 ASP D H H X TS+ 0 0 -72.2 -44.1 175.7 51.8 107.4 26.6 35 -1.5 43 -2.0 0 0.0 0 0.0 9 43
40 A 44 ASN N H H < TS+ 0 0 -55.4 -46.2 -179.9 46.3 112.1 25.5 36 -1.7 0 0.0 0 0.0 0 0.0 9 48
41 A 45 ILE I H H < > TS+ 0 0 -58.0 -54.8 -177.9 56.3 108.9 13.8 37 -2.2 44 -2.3 0 0.0 0 0.0 13 57
42 A 46 LYS K H H < 3 TS+ 0 0 -42.4 -49.1 -176.9 35.2 116.4 33.6 38 -1.8 0 0.0 0 0.0 0 0.0 12 46
43 A 47 ASN N T h < 3 TS+ 0 0 -104.5 38.1 -176.9 110.8 84.2 107.7 39 -2.0 0 0.0 0 0.0 0 0.0 8 38
44 A 48 PHE F t X T + 0 0 -90.2 -14.7 -178.4 129.0 35.6 53.7 41 -2.3 47 -2.8 0 0.0 0 0.0 10 44
45 A 49 GLN Q T T 3 TS+ 0 0 -45.9 130.8 -178.9 12.1 82.0 90.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
46 A 50 GLY G T T 3 TS+ 0 0 82.1 -8.7 179.0 105.9 104.4 71.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
47 A 51 LYS K t < T - 0 0 -90.9 167.0 -179.7 -131.5 64.1 119.6 44 -2.8 0 0.0 0 0.0 0 0.0 7 31
48 A 52 THR T - 0 0 -125.9 142.1 -179.3 -107.3 21.2 166.5 0 0.0 0 0.0 0 0.0 0 0.0 7 40
49 A 53 ILE I - 0 0 -63.0 150.5 178.0 -93.8 47.9 108.4 0 0.0 0 0.0 0 0.0 0 0.0 10 52
50 A 54 ARG R - 0 0 -64.4 151.4 -179.4 -83.0 51.0 103.1 182 -3.0 0 0.0 0 0.0 0 0.0 10 46
51 A 55 SER S h > > T - 0 0 -57.0 145.9 179.5 -112.7 33.7 95.1 0 0.0 55 -3.3 0 0.0 54 -0.8 8 37
52 A 56 PHE F H H > 3 TS+ 0 0 -45.8 -49.1 -178.6 48.0 122.4 27.7 0 0.0 56 -1.9 0 0.0 0 0.0 9 38
53 A 57 ASP D H H > 3 TS+ 0 0 -67.8 -30.8 -179.1 44.9 112.4 42.6 0 0.0 57 -1.0 0 0.0 0 0.0 6 31
54 A 58 ASP D H H > < TS+ 0 0 -74.6 -39.9 178.9 54.0 113.2 22.8 51 -0.8 58 -1.9 0 0.0 0 0.0 9 33
55 A 59 ALA A H H X TS+ 0 0 -57.5 -48.0 -179.7 46.9 107.3 34.2 51 -3.3 59 -2.4 0 0.0 0 0.0 12 48
56 A 60 MET M H H X TS+ 0 0 -69.6 -31.6 177.5 58.4 109.9 34.1 52 -1.9 60 -2.9 0 0.0 0 0.0 12 45
57 A 61 ALA A H H X TS+ 0 0 -60.6 -57.2 -179.7 37.9 110.6 18.4 53 -1.0 61 -0.9 0 0.0 0 0.0 8 37
58 A 62 SER S H H X > TS+ 0 0 -63.6 -45.8 -179.8 51.5 118.1 20.5 54 -1.9 61 -0.9 0 0.0 62 -0.7 12 40
59 A 63 LEU L H H X > TS+ 0 0 -58.4 -47.3 180.0 57.3 103.9 19.5 55 -2.4 62 -2.2 0 0.0 63 -1.9 12 52
60 A 64 ASN N H H X 3 TS+ 0 0 -59.7 -22.0 178.5 68.8 92.3 40.1 56 -2.9 64 -1.5 0 0.0 0 0.0 9 46
61 A 65 LYS K H H < < TS+ 0 0 -64.1 -27.7 -178.3 32.4 113.4 31.5 57 -0.9 0 0.0 58 -0.9 0 0.0 11 44
62 A 66 ILE I H H < X TS+ 0 0 -88.2 -62.7 -175.9 44.5 118.6 21.4 59 -2.2 65 -2.6 58 -0.7 0 0.0 12 50
63 A 67 THR T H H < 3 TS+ 0 0 -54.5 -38.2 -179.3 53.3 113.3 30.5 59 -1.9 0 0.0 0 0.0 0 0.0 9 51
64 A 68 ALA A T h < 3 TS+ 0 0 -81.5 12.3 -178.2 111.6 84.4 76.6 60 -1.5 0 0.0 0 0.0 0 0.0 8 33
65 A 69 ASN N S g X TS- 0 0 -94.6 119.8 -178.7 -135.6 70.3 148.5 62 -2.6 68 -4.3 0 0.0 0 0.0 9 32
66 A 70 PRO P G G > TS+ 0 0 -41.3 -38.3 -179.0 62.2 104.4 49.0 0 0.0 69 -1.7 0 0.0 0 0.0 5 22
67 A 71 ALA A G G 3 TS+ 0 0 -65.4 -16.4 -179.0 59.1 101.1 47.5 0 0.0 0 0.0 0 0.0 0 0.0 6 27
68 A 72 MET M G G < T + 0 0 -92.9 5.9 178.0 125.6 65.4 71.2 65 -4.3 0 0.0 0 0.0 0 0.0 10 41
69 A 73 LYS K g < T - 0 0 -64.4 112.2 179.2 -148.6 54.9 122.3 66 -1.7 0 0.0 0 0.0 0 0.0 8 34
70 A 74 ILE I - 0 0 -86.5 142.2 179.9 -125.0 8.2 137.1 0 0.0 0 0.0 0 0.0 0 0.0 7 38
71 A 75 ASN N h > T - 0 0 -86.3 159.4 -179.4 -107.6 24.9 119.2 0 0.0 75 -2.8 0 0.0 0 0.0 6 29
72 A 76 LYS K H H > TS+ 0 0 -53.9 -41.6 -179.2 54.0 117.4 32.8 0 0.0 76 -3.8 0 0.0 0 0.0 6 26
73 A 77 ALA A H H > TS+ 0 0 -61.4 -48.0 179.5 42.6 113.9 17.8 0 0.0 77 -1.3 0 0.0 0 0.0 6 25
74 A 78 ASP D H H > TS+ 0 0 -58.4 -48.9 177.3 49.5 115.4 25.9 0 0.0 78 -2.0 0 0.0 0 0.0 9 36
75 A 79 ARG R H H X TS+ 0 0 -58.1 -43.2 178.6 50.0 111.7 21.4 71 -2.8 79 -2.1 0 0.0 0 0.0 11 42
76 A 80 ASP D H H X TS+ 0 0 -70.3 -26.5 -177.4 51.9 108.9 39.7 72 -3.8 80 -1.1 0 0.0 0 0.0 8 32
77 A 81 ALA A H H X TS+ 0 0 -76.8 -37.5 -179.8 45.4 111.8 31.0 73 -1.3 81 -1.5 0 0.0 0 0.0 10 36
78 A 82 LEU L H H X TS+ 0 0 -72.5 -39.7 177.5 51.0 111.8 31.2 74 -2.0 82 -1.9 0 0.0 0 0.0 12 50
79 A 83 VAL V H H X TS+ 0 0 -63.0 -46.7 -179.4 48.0 111.8 21.5 75 -2.1 83 -3.5 0 0.0 0 0.0 12 46
80 A 84 ASN N H H X TS+ 0 0 -63.8 -41.1 176.6 57.5 105.5 26.5 76 -1.1 84 -1.5 0 0.0 0 0.0 8 33
81 A 85 ALA A H H < TS+ 0 0 -61.2 -45.6 176.8 41.5 113.4 13.8 77 -1.5 0 0.0 0 0.0 0 0.0 11 46
82 A 86 TRP W H H < > TS+ 0 0 -64.1 -50.4 177.8 55.3 110.0 13.8 78 -1.9 85 -3.9 0 0.0 0 0.0 12 45
83 A 87 LYS K H H < 3 TS+ 0 0 -54.2 -26.5 178.1 58.8 103.5 41.9 79 -3.5 0 0.0 0 0.0 0 0.0 9 36
84 A 88 HIS H T h < 3 TS+ 0 0 -83.9 -2.8 176.9 104.8 83.7 59.2 80 -1.5 0 0.0 0 0.0 0 0.0 6 32
85 A 89 VAL V t < T - 0 0 -82.8 132.5 176.0 -155.9 59.4 133.0 82 -3.9 87 -0.8 0 0.0 0 0.0 10 40
86 A 90 ASP D h > T - 0 0 -101.6 101.7 -179.4 -157.2 6.4 157.9 0 0.0 90 -3.4 0 0.0 0 0.0 7 32
87 A 91 ALA A H H > TS+ 0 0 -52.2 -44.3 -179.6 51.6 91.7 33.3 85 -0.8 91 -2.4 0 0.0 0 0.0 11 40
88 A 92 GLN Q H H > TS+ 0 0 -56.7 -53.4 -178.9 44.7 114.6 15.0 0 0.0 92 -2.6 0 0.0 0 0.0 7 32
89 A 93 ASP D H H > TS+ 0 0 -53.0 -52.0 -179.9 48.4 113.8 29.3 0 0.0 93 -3.0 0 0.0 0 0.0 8 30
90 A 94 MET M H H X TS+ 0 0 -60.6 -35.6 179.9 51.1 111.0 36.2 86 -3.4 94 -1.9 0 0.0 0 0.0 11 46
91 A 95 ALA A H H X TS+ 0 0 -66.1 -43.7 178.4 51.7 109.4 26.8 87 -2.4 95 -2.0 0 0.0 0 0.0 13 42
92 A 96 ASN N H H X > TS+ 0 0 -61.8 -52.2 -178.3 50.2 108.3 15.2 88 -2.6 96 -1.6 0 0.0 95 -0.6 8 31
93 A 97 LYS K H H X 3 TS+ 0 0 -57.1 -38.3 179.8 48.5 110.8 32.1 89 -3.0 97 -0.9 0 0.0 0 0.0 8 35
94 A 98 LEU L H H X 3 TS+ 0 0 -66.7 -32.5 179.4 59.8 106.2 32.3 90 -1.9 98 -1.5 0 0.0 0 0.0 11 50
95 A 99 GLY G H H < < TS+ 0 0 -60.8 -39.8 178.2 51.1 103.0 30.2 91 -2.0 0 0.0 92 -0.6 0 0.0 11 35
96 A 100 ASN N H H < TS+ 0 0 -69.2 -26.2 179.3 56.3 104.5 44.8 92 -1.6 0 0.0 0 0.0 0 0.0 7 26
97 A 101 LEU L H H < TS- 0 0 -73.6 -38.8 -179.8 -16.6 129.9 33.7 93 -0.9 0 0.0 0 0.0 0 0.0 8 36
98 A 102 SER S h < > T - 0 0 -178.0 133.5 176.8 -127.6 47.9 137.9 94 -1.5 101 -2.8 0 0.0 0 0.0 10 33
99 A 103 LYS K G G > TS+ 0 0 -38.5 -44.3 -178.7 69.0 106.2 40.5 0 0.0 102 -2.4 0 0.0 0 0.0 7 32
100 A 104 ALA A G G 3 TS+ 0 0 -58.3 -18.2 178.5 63.7 86.5 53.2 0 0.0 0 0.0 0 0.0 0 0.0 10 40
101 A 105 PHE F G G < TS+ 0 0 -83.9 -15.7 178.6 93.0 80.0 50.6 98 -2.8 103 -2.4 0 0.0 0 0.0 12 52
102 A 106 LYS K g < T + 0 0 -76.7 64.2 175.7 151.2 60.5 111.3 99 -2.4 0 0.0 0 0.0 0 0.0 10 39
103 A 107 VAL V t > T - 0 0 -87.3 159.8 178.5 -72.3 58.1 122.3 101 -2.4 106 -1.7 0 0.0 0 0.0 6 44
104 A 108 ALA A T T 3 TS- 0 0 -64.7 120.5 179.3 -4.6 115.0 110.7 0 0.0 0 0.0 0 0.0 0 0.0 4 29
105 A 109 ASP D T h > > TS+ 0 0 63.5 38.9 178.4 151.9 79.2 37.3 0 0.0 109 -1.5 0 0.0 108 -1.0 6 34
106 A 110 VAL V H H > < T + 0 0 -59.7 -41.0 178.8 62.1 67.4 26.8 103 -1.7 110 -2.7 0 0.0 0 0.0 11 44
107 A 111 VAL V H H > 3 TS+ 0 0 -54.6 -28.3 -176.7 43.8 107.3 42.9 0 0.0 111 -1.6 0 0.0 0 0.0 10 36
108 A 112 MET M H H > < TS+ 0 0 -90.2 -31.3 177.3 55.5 109.9 39.3 105 -1.0 112 -2.0 0 0.0 0 0.0 8 36
109 A 113 LYS K H H X TS+ 0 0 -63.0 -50.6 179.9 45.4 110.9 18.2 105 -1.5 113 -2.1 0 0.0 0 0.0 8 51
110 A 114 VAL V H H X > TS+ 0 0 -52.6 -62.0 178.8 52.6 111.3 15.7 106 -2.7 114 -2.5 0 0.0 113 -0.7 13 51
111 A 115 GLU E H H X 3 TS+ 0 0 -47.1 -41.3 177.9 49.7 109.6 36.0 107 -1.6 115 -2.5 0 0.0 0 0.0 9 43
112 A 116 LYS K H H X 3 TS+ 0 0 -71.8 -34.1 178.4 48.9 110.2 30.9 108 -2.0 116 -2.3 0 0.0 0 0.0 10 43
113 A 117 VAL V H H X < TS+ 0 0 -64.8 -44.6 178.8 49.1 113.5 25.4 109 -2.1 117 -1.2 110 -0.7 0 0.0 12 58
114 A 118 ARG R H H X > TS+ 0 0 -55.4 -57.3 179.8 44.1 114.2 13.9 110 -2.5 118 -2.5 0 0.0 117 -0.5 12 54
115 A 119 GLU E H H X 3 TS+ 0 0 -64.3 -37.8 179.0 45.7 115.6 34.1 111 -2.5 119 -1.6 0 0.0 0 0.0 9 42
116 A 120 LYS K H H X 3 TS+ 0 0 -83.4 -12.3 176.5 53.1 111.0 52.4 112 -2.3 120 -0.8 0 0.0 0 0.0 11 43
117 A 121 SER S H H X < TS+ 0 0 -80.7 -46.1 176.8 50.6 108.8 26.8 113 -1.2 121 -2.3 114 -0.5 0 0.0 12 58
118 A 122 ILE I H H X TS+ 0 0 -54.4 -43.8 179.2 47.8 111.8 22.7 114 -2.5 122 -2.6 0 0.0 0 0.0 11 45
119 A 123 GLU E H H X TS+ 0 0 -64.1 -36.5 -178.6 54.2 109.5 30.1 115 -1.6 123 -2.7 0 0.0 125 -0.7 11 33
120 A 124 GLY G H H X TS+ 0 0 -65.6 -45.5 178.9 42.6 112.0 27.3 116 -0.8 124 -0.8 0 0.0 0 0.0 12 48
121 A 125 TYR Y H H < TS+ 0 0 -69.8 -49.8 179.7 46.5 118.1 24.4 117 -2.3 0 0.0 0 0.0 0 0.0 11 46
122 A 126 GLU E H H < TS+ 0 0 -64.6 -40.4 -178.0 16.6 130.7 32.4 118 -2.6 0 0.0 0 0.0 0 0.0 9 33
123 A 127 THR T H H < TS- 0 0 -116.3 1.2 -178.6 -121.3 95.9 69.6 119 -2.7 0 0.0 0 0.0 0 0.0 6 25
124 A 128 GLY G h < T + 0 0 67.0 17.2 -179.5 135.7 69.1 48.5 120 -0.8 126 -0.7 0 0.0 0 0.0 7 38
125 A 129 ASN N + 0 0 -106.1 110.5 -177.2 173.5 27.7 151.8 119 -0.7 0 0.0 0 0.0 0 0.0 9 37
126 A 130 TRP W h > > T + 0 0 -90.3 -8.2 175.6 93.0 57.8 60.2 124 -0.7 130 -1.9 0 0.0 129 -0.6 11 51
127 A 131 GLY G H H > 3 TS+ 0 0 -47.7 -64.9 179.2 51.4 81.8 20.4 0 0.0 131 -3.1 0 0.0 0 0.0 7 43
128 A 132 PRO P H H > 3 TS+ 0 0 -49.1 -35.9 179.6 48.8 110.8 39.1 0 0.0 132 -1.1 0 0.0 0 0.0 9 36
129 A 133 LEU L H H > < TS+ 0 0 -68.1 -49.9 -178.8 43.1 116.0 21.5 126 -0.6 133 -1.5 0 0.0 0 0.0 12 54
130 A 134 MET M H H X TS+ 0 0 -60.5 -54.8 176.2 50.1 113.8 19.5 126 -1.9 134 -2.2 0 0.0 0 0.0 12 57
131 A 135 LEU L H H X TS+ 0 0 -57.0 -33.2 179.1 62.3 104.6 35.3 127 -3.1 135 -1.8 0 0.0 0 0.0 9 42
132 A 136 GLU E H H X TS+ 0 0 -61.7 -48.4 -179.9 39.1 108.4 14.8 128 -1.1 136 -1.0 0 0.0 0 0.0 10 52
133 A 137 VAL V H H X > TS+ 0 0 -62.6 -52.5 -175.4 51.2 115.2 23.3 129 -1.5 137 -1.1 0 0.0 136 -0.6 11 56
134 A 138 GLU E H H X 3 TS+ 0 0 -58.0 -32.7 -176.4 58.7 105.2 34.5 130 -2.2 138 -2.1 0 0.0 0 0.0 12 45
135 A 139 SER S H H X 3 TS+ 0 0 -70.9 -26.8 177.2 56.8 98.7 38.0 131 -1.8 139 -2.0 0 0.0 0 0.0 8 37
136 A 140 TRP W H H < <>TS+ 0 0 -69.7 -33.5 -178.8 43.2 112.3 30.3 132 -1.0 141 -2.7 133 -0.6 0 0.0 10 40
137 A 141 VAL V H H < >5TS+ 0 0 -79.0 -38.3 177.8 53.6 110.9 32.0 133 -1.1 140 -1.2 0 0.0 0 0.0 11 35
138 A 142 LEU L H H < 35TS+ 0 0 -63.5 -36.1 178.7 51.2 110.3 36.6 134 -2.1 0 0.0 0 0.0 0 0.0 7 24
139 A 143 SER S T h < 35TS- 0 0 -82.3 1.9 -179.4 -87.9 130.0 73.9 135 -2.0 0 0.0 0 0.0 0 0.0 6 23
140 A 144 GLY G T T <5TS+ 0 0 107.4 -4.5 177.1 134.2 79.3 66.4 137 -1.2 0 0.0 0 0.0 0 0.0 6 21
141 A 145 ILE I t > T - 0 0 -59.2 136.5 179.3 -124.7 22.1 115.8 0 0.0 146 -2.3 0 0.0 145 -0.9 7 40
143 A 147 SER S H H > 3 TS+ 0 0 -48.1 -48.1 178.8 59.7 114.2 21.7 0 0.0 147 -2.7 0 0.0 0 0.0 10 48
144 A 148 SER S H H > 3 TS+ 0 0 -46.4 -52.0 -178.8 40.2 108.5 32.8 0 0.0 148 -1.6 0 0.0 0 0.0 14 50
145 A 149 VAL V H H > < TS+ 0 0 -71.1 -37.6 -179.4 53.3 113.7 34.5 142 -0.9 149 -3.1 0 0.0 0 0.0 11 59
146 A 150 ALA A H H X TS+ 0 0 -60.9 -60.0 177.2 40.8 115.5 5.2 142 -2.3 150 -3.1 0 0.0 0 0.0 13 66
147 A 151 LEU L H H X TS+ 0 0 -48.5 -50.3 178.8 55.2 115.0 18.8 143 -2.7 151 -2.5 0 0.0 0 0.0 13 73
148 A 152 GLY G H H X TS+ 0 0 -45.1 -74.0 -177.2 34.0 115.6 16.1 144 -1.6 152 -2.4 0 0.0 0 0.0 12 71
149 A 153 ILE I H H X TS+ 0 0 -56.0 -45.1 -178.2 53.5 116.4 31.9 145 -3.1 153 -2.1 0 0.0 0 0.0 11 73
150 A 154 PHE F H H X TS+ 0 0 -52.6 -59.4 -176.2 43.5 114.9 12.6 146 -3.1 154 -1.6 0 0.0 0 0.0 12 77
151 A 155 SER S H H X TS+ 0 0 -56.5 -50.0 178.3 50.9 110.6 35.4 147 -2.5 155 -1.8 0 0.0 0 0.0 11 75
152 A 156 ALA A H H X TS+ 0 0 -59.8 -40.0 -177.7 54.7 109.4 33.8 148 -2.4 156 -2.9 0 0.0 0 0.0 12 73
153 A 157 THR T H H X TS+ 0 0 -59.3 -50.0 -179.9 38.6 113.7 29.5 149 -2.1 157 -1.2 0 0.0 0 0.0 10 76
154 A 158 LEU L H H X TS+ 0 0 -72.7 -28.7 -179.6 55.0 114.9 44.7 150 -1.6 158 -1.5 0 0.0 0 0.0 9 77
155 A 159 GLY G H H X TS+ 0 0 -75.6 -41.5 178.4 47.0 109.6 27.4 151 -1.8 159 -1.4 0 0.0 0 0.0 12 67
156 A 160 ALA A H H X TS+ 0 0 -68.4 -33.6 177.2 51.9 110.3 40.6 152 -2.9 160 -1.7 0 0.0 0 0.0 9 61
157 A 161 TYR Y H H X TS+ 0 0 -64.8 -50.2 177.9 46.9 112.4 16.3 153 -1.2 161 -0.7 0 0.0 0 0.0 11 63
158 A 162 ALA A H H < TS+ 0 0 -61.3 -38.3 176.3 51.8 110.1 36.2 154 -1.5 0 0.0 0 0.0 0 0.0 12 63
159 A 163 LEU L H H < TS+ 0 0 -69.7 -39.8 -179.2 47.1 111.8 29.8 155 -1.4 0 0.0 0 0.0 0 0.0 9 49
160 A 164 SER S H H < TS+ 0 0 -82.0 -9.6 -179.7 126.0 84.8 53.8 156 -1.7 0 0.0 0 0.0 0 0.0 6 43
161 A 165 LEU L h < T + 0 0 -56.4 132.6 178.2 172.8 29.2 100.1 157 -0.7 0 0.0 0 0.0 0 0.0 8 47
162 A 166 GLY G + 0 0 -130.8 47.5 -180.0 124.4 35.8 112.4 0 0.0 0 0.0 0 0.0 0 0.0 5 34
163 A 167 VAL V S S S- 0 0 -110.3 169.3 -179.2 -70.2 71.1 133.5 0 0.0 0 0.0 0 0.0 0 0.0 9 33
164 A 168 PRO P h > T - 0 0 -48.4 162.1 -179.6 -103.9 52.6 92.2 0 0.0 168 -1.8 0 0.0 0 0.0 6 31
165 A 169 ALA A H H > TS+ 0 0 -64.4 -41.6 179.0 49.7 118.9 40.4 0 0.0 169 -1.3 0 0.0 0 0.0 7 32
166 A 170 ILE I H H > TS+ 0 0 -64.7 -37.0 179.7 51.8 112.5 29.6 0 0.0 170 -1.9 0 0.0 0 0.0 6 35
167 A 171 ALA A H H > TS+ 0 0 -66.6 -46.0 176.7 49.4 107.7 30.3 0 0.0 171 -2.2 0 0.0 0 0.0 11 41
168 A 172 VAL V H H X TS+ 0 0 -62.2 -28.8 -179.2 54.6 110.3 40.6 164 -1.8 172 -2.3 0 0.0 0 0.0 14 49
169 A 173 GLY G H H X TS+ 0 0 -67.9 -50.1 177.8 42.6 110.4 27.1 165 -1.3 173 -1.4 0 0.0 0 0.0 11 55
170 A 174 ILE I H H X TS+ 0 0 -69.3 -43.1 175.2 49.3 115.3 24.9 166 -1.9 174 -1.9 0 0.0 0 0.0 10 60
171 A 175 ALA A H H X TS+ 0 0 -56.3 -58.5 -178.4 52.2 109.9 13.5 167 -2.2 175 -2.7 0 0.0 0 0.0 10 70
172 A 176 GLY G H H X TS+ 0 0 -46.8 -40.0 -179.4 51.1 109.4 30.8 168 -2.3 176 -1.8 0 0.0 0 0.0 11 73
173 A 177 ILE I H H X TS+ 0 0 -68.3 -46.6 178.8 41.9 113.4 25.3 169 -1.4 177 -1.4 0 0.0 0 0.0 9 73
174 A 178 LEU L H H X TS+ 0 0 -70.9 -35.2 179.5 55.2 112.6 39.7 170 -1.9 178 -2.4 0 0.0 0 0.0 10 76
175 A 179 LEU L H H X TS+ 0 0 -68.5 -40.8 175.7 45.9 109.6 32.8 171 -2.7 179 -1.8 0 0.0 0 0.0 11 83
176 A 180 ALA A H H X TS+ 0 0 -66.3 -37.4 -179.2 49.9 114.5 30.7 172 -1.8 180 -2.3 0 0.0 0 0.0 12 78
177 A 181 ALA A H H X TS+ 0 0 -67.0 -47.5 179.4 49.1 109.6 19.6 173 -1.4 181 -1.8 0 0.0 0 0.0 14 68
178 A 182 VAL V H H X TS+ 0 0 -57.1 -54.6 179.6 37.0 120.3 18.3 174 -2.4 182 -0.6 0 0.0 0 0.0 10 76
179 A 183 VAL V H H X > TS+ 0 0 -63.6 -56.6 -179.6 54.9 114.4 14.4 175 -1.8 182 -1.9 0 0.0 183 -0.8 11 81
180 A 184 GLY G H H X > TS+ 0 0 -48.7 -35.2 179.9 65.2 99.1 35.7 176 -2.3 184 -2.3 0 0.0 183 -0.7 13 70
181 A 185 ALA A H H < 3 TS+ 0 0 -60.2 -35.5 -178.8 52.1 97.8 36.8 177 -1.8 0 0.0 0 0.0 0 0.0 16 59
182 A 186 LEU L H H < < TS+ 0 0 -75.5 -20.8 -176.4 35.0 119.9 45.9 179 -1.9 50 -3.0 178 -0.6 0 0.0 11 66
183 A 187 ILE I H H < < TS- 0 0 -99.0 -56.3 179.9 -18.4 124.6 33.7 179 -0.8 0 0.0 180 -0.7 0 0.0 9 57
184 A 188 ASP D h < > T - 0 0 -162.3 143.0 179.8 -131.5 43.7 160.4 180 -2.3 187 -0.8 0 0.0 0 0.0 8 44
185 A 189 ASP D T h > 3 TS+ 0 0 -72.8 -8.0 -178.2 85.4 97.7 57.4 0 0.0 189 -1.5 0 0.0 0 0.0 9 38
186 A 190 LYS K H H > 3 TS+ 0 0 -56.6 -47.8 -179.0 58.7 81.5 24.8 0 0.0 190 -2.4 0 0.0 0 0.0 7 39
187 A 191 PHE F H H > < TS+ 0 0 -54.2 -44.2 179.9 53.3 102.0 33.3 184 -0.8 191 -2.6 0 0.0 0 0.0 13 52
188 A 192 ALA A H H > TS+ 0 0 -61.0 -46.1 177.5 45.8 111.2 30.0 0 0.0 192 -2.0 0 0.0 0 0.0 14 47
189 A 193 ASP D H H X TS+ 0 0 -63.7 -44.5 177.0 50.0 113.1 26.4 185 -1.5 193 -3.3 0 0.0 0 0.0 10 42
190 A 194 ALA A H H X TS+ 0 0 -64.4 -49.2 175.6 46.1 112.0 23.1 186 -2.4 194 -2.5 0 0.0 0 0.0 10 42
191 A 195 LEU L H H X >TS+ 0 0 -58.6 -43.3 -177.9 44.4 119.6 21.2 187 -2.6 196 -2.3 0 0.0 195 -1.7 13 52
192 A 196 ASN N H H < >TS+ 0 0 -64.6 -53.3 179.9 33.4 122.4 20.3 188 -2.0 197 -1.5 0 0.0 0 0.0 11 43
193 A 197 ASN N H H < 5TS+ 0 0 -73.3 -55.0 -176.6 37.0 127.8 14.7 189 -3.3 0 0.0 0 0.0 0 0.0 8 28
194 A 198 GLU E H H < 5TS+ 0 0 -77.8 -12.9 -171.5 8.1 132.8 46.2 190 -2.5 0 0.0 0 0.0 0 0.0 9 31
195 A 199 ILE I T h < 5TS+ 0 0 -131.8 -56.6 -179.1 46.4 121.5 44.0 191 -1.7 0 0.0 0 0.0 0 0.0 10 42
196 A 200 ILE I T t >3<< >33< >33X33< >33< >>33<< >33< >33< >>3 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXX>>XXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHHHHhHHHHHHHHHHHHHHHhtTTt hHHHHHHHHHHHHhgGGGg hHHHHHHHHHHHHhthHHHHHHHHHHHhGG summary
sequence AKDERELLEKTSELIAGMGDKIGEHLGDKYKAIAKDIADNIKNFQGKTIRSFDDAMASLNKITANPAMKINKADRDALVNAWKHVDAQDMANKLGNLSKA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand G TTHHHHHHHHHHHHHHHHHH HHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHH S HHHHHHHHHHHHHHHHHHH THHHHHHHHHTT Kabs/Sand
chirality ++--++++++++++++++++++-+++++++++++++++-+--++++++++++++++++++++--++++++++++++++++++--+++++++++++ chirality
bends S SS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns <<>3><3< >33<>33< >33< >33<>33< >33< >>3<<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXX<<<<>>>>XXX<<<< 4-turns
summary GgtThHHHHHHHHHHHHHHHHHHh hHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHHHHh ShHHHHHHHHHHHHHHHHHHHhhHHHHHHHHHhtt summary
sequence FKVADVVMKVEKVREKSIEGYETGNWGPLMLEVESWVLSGIASSVALGIFSATLGAYALSLGVPAIAVGIAGILLAAVVGALIDDKFADALNNEIIR sequence
110 120 130 140 150 160 170 180 190