Secondary structure calculation program - copyright by David Keith Smith, 1989
1fnuA.pdb
1FNU TOXIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 221
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 GLN Q 0 0 999.9 96.2 176.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
2 A 2 GLN Q - 0 0 -55.3 135.8 178.4 -87.7 999.9 115.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
3 A 3 ASP D - 0 0 -51.0 140.0 -179.4 -88.5 58.8 98.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
4 A 4 PRO P - 0 0 -55.0 141.4 175.1 -130.1 29.8 97.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
5 A 5 ASP D g > > T - 0 0 -84.9 141.3 178.8 -115.4 29.4 134.7 0 0.0 8 -1.9 0 0.0 9 -0.6 6 22
6 A 6 PRO P G G 4 > TS+ 0 0 -47.4 -33.4 178.8 50.7 120.3 35.1 0 0.0 9 -0.5 0 0.0 0 0.0 5 30
7 A 7 SER S G G 4 3 TS+ 0 0 -79.0 -17.1 178.6 64.7 100.9 54.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
8 A 8 GLN Q G G 4 < TS+ 0 0 -80.8 -18.8 178.9 94.8 83.7 53.8 5 -1.9 0 0.0 0 0.0 0 0.0 6 29
9 A 9 LEU L S g < < TS- 0 0 -80.1 140.2 178.6 -121.9 78.8 124.4 5 -0.6 0 0.0 6 -0.5 0 0.0 12 38
10 A 10 HIS H - 0 0 -80.3 129.9 -179.9 -132.2 23.5 132.3 0 0.0 0 0.0 0 0.0 0 0.0 10 40
11 A 11 ARG R g > > T - 0 0 -86.1 125.9 -179.6 -148.3 6.1 137.4 0 0.0 14 -1.2 0 0.0 15 -0.6 9 39
12 A 12 SER S G G 4 > TS+ 0 0 -63.5 -28.4 -176.2 67.9 91.7 39.7 168 -2.5 15 -0.5 0 0.0 0 0.0 14 44
13 A 13 SER S G G 4 3 TS+ 0 0 -72.6 -9.8 176.2 53.5 97.2 51.9 0 0.0 0 0.0 0 0.0 0 0.0 7 36
14 A 14 LEU L G G 4 < TS+ 0 0 -90.5 -26.6 -178.7 109.2 86.4 44.1 11 -1.2 0 0.0 0 0.0 0 0.0 6 31
15 A 15 VAL V g < X T - 0 0 -58.7 129.1 174.1 -147.6 59.7 102.4 11 -0.6 17 -0.5 12 -0.5 18 -0.5 11 36
16 A 16 LYS K T T 3 TS+ 0 0 -94.1 126.4 179.3 7.9 84.0 144.1 190 -2.8 0 0.0 0 0.0 0 0.0 7 28
17 A 17 ASN N T T > T + 0 0 71.4 45.1 -179.4 166.4 69.0 20.4 15 -0.5 20 -1.9 0 0.0 0 0.0 7 30
18 A 18 LEU L T h > X T + 0 0 -63.4 -23.1 178.3 80.7 65.7 41.9 15 -0.5 21 -2.4 0 0.0 22 -1.9 12 44
19 A 19 GLN Q H H > 3 TS+ 0 0 -51.2 -30.0 -179.8 66.9 81.1 37.9 0 0.0 23 -2.5 0 0.0 0 0.0 11 40
20 A 20 ASN N H H 4 < TS+ 0 0 -68.4 -18.1 172.2 44.4 102.6 49.0 17 -1.9 0 0.0 0 0.0 0 0.0 8 44
21 A 21 ILE I H H > X TS+ 0 0 -85.7 -44.8 177.0 57.5 111.2 33.0 18 -2.4 25 -1.6 0 0.0 24 -0.8 10 61
22 A 22 TYR Y H H X 3 TS+ 0 0 -48.3 -49.9 -176.7 48.7 104.3 27.5 18 -1.9 26 -2.1 0 0.0 0 0.0 12 50
23 A 23 PHE F H H X 3 TS+ 0 0 -69.2 -21.7 179.3 57.7 106.7 36.4 19 -2.5 27 -1.2 0 0.0 0 0.0 9 43
24 A 24 LEU L H H 4 < TS+ 0 0 -71.6 -39.6 -176.9 30.4 118.3 27.6 21 -0.8 0 0.0 0 0.0 0 0.0 11 56
25 A 25 TYR Y H H < TS+ 0 0 -98.6 -17.4 175.0 51.9 118.1 48.1 21 -1.6 0 0.0 0 0.0 0 0.0 13 51
26 A 26 GLU E H H < TS+ 0 0 -83.1 -34.1 -179.6 76.2 102.5 37.0 22 -2.1 0 0.0 0 0.0 0 0.0 9 39
27 A 27 GLY G S h < TS- 0 0 -71.2 169.8 178.4 -87.6 98.0 96.8 23 -1.2 0 0.0 0 0.0 0 0.0 7 39
28 A 28 ASP D - 0 0 -76.2 150.5 178.8 -119.8 42.2 117.2 0 0.0 0 0.0 0 0.0 0 0.0 7 38
29 A 29 PRO P - 0 0 -81.9 172.6 178.2 -107.1 26.4 113.7 0 0.0 31 -0.6 0 0.0 0 0.0 10 51
30 A 30 VAL V E E AA + 80 0 -101.7 122.1 -179.3 175.9 46.1 151.3 80 -3.4 80 -2.9 0 0.0 0 0.0 10 55
31 A 31 THR T E E AA + 79 0 -135.2 138.0 -178.8 170.4 9.8 175.0 29 -0.6 0 0.0 0 0.0 0 0.0 8 53
32 A 32 HIS H E E AA - 78 0 -147.6 138.9 -178.7 -147.8 17.7 171.8 78 -1.9 78 -2.9 0 0.0 0 0.0 9 50
33 A 33 GLU E E E A* - 0 0 -116.5 132.7 175.3 -5.6 69.8 153.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
34 A 34 ASN N E E A* S+ 0 0 56.0 63.0 179.3 145.4 85.1 21.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
35 A 35 VAL V E E AA - 76 0 -125.6 159.5 -176.5 -139.5 38.6 150.5 76 -1.8 76 -2.9 0 0.0 0 0.0 10 36
36 A 36 LYS K E E AA - 75 0 -127.8 130.7 -176.7 -106.9 25.7 167.8 0 0.0 0 0.0 0 0.0 0 0.0 10 38
37 A 37 SER S e - 0 0 -46.9 163.2 -179.5 -169.6 27.7 86.7 74 -0.5 0 0.0 0 0.0 0 0.0 13 47
38 A 38 VAL V - 0 0 -134.1 -14.2 -176.4 -21.4 58.5 64.6 47 -2.6 0 0.0 0 0.0 0 0.0 8 35
39 A 39 ASP D B B A - 47 0 -177.0 -174.2 179.2 -133.8 55.1 161.1 47 -1.2 47 -2.3 0 0.0 0 0.0 7 38
40 A 40 GLN Q - 0 0 -163.5 149.0 179.2 -155.9 8.6 165.2 0 0.0 0 0.0 0 0.0 0 0.0 9 44
41 A 41 LEU L S S S+ 0 0 -90.3 -60.7 177.1 14.7 88.7 31.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
42 A 42 LEU L S t > TS- 0 0 -111.1 161.0 -178.3 -101.3 91.2 138.1 0 0.0 45 -1.8 0 0.0 0 0.0 5 31
43 A 43 SER S T T 3 TS+ 0 0 -57.4 -19.9 -175.0 53.8 116.7 43.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
44 A 44 HIS H T e 3 TS+ 0 0 -101.9 9.2 178.5 69.3 100.3 69.6 0 0.0 62 -2.5 0 0.0 0 0.0 13 39
45 A 45 ASP D E E BB < T - 61 0 -118.9 166.4 173.1 -153.8 59.7 139.8 42 -1.8 0 0.0 0 0.0 0 0.0 14 48
46 A 46 LEU L E E BB - 60 0 -138.2 140.7 -177.4 -150.2 10.9 170.1 60 -2.3 60 -2.8 0 0.0 0 0.0 15 56
47 A 47 ILE I E E BBA - 59 39 -113.2 138.9 -176.4 -158.7 10.3 153.1 39 -2.3 38 -2.6 0 0.0 39 -1.2 14 58
48 A 48 TYR Y E E BB - 58 0 -126.5 132.6 179.8 -133.1 22.2 162.2 58 -3.1 58 -2.3 0 0.0 50 -1.9 12 57
49 A 49 ASN N + 0 0 -83.2 77.5 179.6 130.7 63.9 131.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
50 A 50 VAL V - 0 0 -132.4 155.2 -178.1 -142.9 41.7 161.6 48 -1.9 0 0.0 0 0.0 0 0.0 8 42
51 A 51 SER S + 0 0 -118.4 165.8 177.7 144.4 26.4 140.1 0 0.0 0 0.0 0 0.0 0 0.0 8 37
52 A 52 GLY G B B B > T - 55 0 -176.9 178.0 179.9 -47.2 64.5 159.7 55 -2.1 55 -1.8 0 0.0 0 0.0 7 32
53 A 53 PRO P T T 3 TS+ 0 0 -70.6 142.3 -177.6 12.0 127.3 122.1 0 0.0 0 0.0 0 0.0 0 0.0 4 24
54 A 54 ASN N T T 3 TS+ 0 0 76.4 -2.5 178.8 59.5 123.5 74.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
55 A 55 TYR Y B B B < T + 52 0 -153.5 158.4 177.5 176.3 37.7 174.8 52 -1.8 52 -2.1 0 0.0 0 0.0 10 36
56 A 56 ASP D S S S+ 0 0 -141.5 15.7 177.0 52.1 80.5 76.0 95 -2.9 0 0.0 0 0.0 0 0.0 11 35
57 A 57 LYS K E E B c - 0 96 -149.4 129.9 -178.3 -165.4 68.3 162.9 95 -0.8 97 -1.6 0 0.0 0 0.0 14 44
58 A 58 LEU L E E BBc - 48 97 -126.8 135.9 178.0 -164.1 2.4 169.8 48 -2.3 48 -3.1 0 0.0 0 0.0 15 59
59 A 59 LYS K E E BBc - 47 98 -121.9 134.8 172.1 -166.8 1.3 161.7 97 -2.4 99 -2.6 0 0.0 0 0.0 13 68
60 A 60 THR T E E BBc - 46 99 -117.9 133.3 180.0 -151.0 9.8 170.8 46 -2.8 46 -2.3 0 0.0 62 -0.6 12 75
61 A 61 GLU E E E BBc - 45 100 -103.4 122.5 179.8 -169.1 19.2 155.9 99 -2.0 101 -2.1 0 0.0 0 0.0 13 61
62 A 62 LEU L e - 0 0 -99.9 -174.8 -176.5 -81.3 39.8 102.3 44 -2.5 0 0.0 60 -0.6 0 0.0 15 54
63 A 63 LYS K S S S- 0 0 -54.0 -47.8 -177.0 -42.2 93.5 26.9 0 0.0 0 0.0 0 0.0 0 0.0 12 37
64 A 64 ASN N S h > TS- 0 0 -169.2 -177.9 -178.8 -65.0 73.1 156.0 0 0.0 68 -2.0 0 0.0 0 0.0 9 29
65 A 65 GLN Q H H > TS+ 0 0 -54.2 -45.2 179.9 56.3 125.1 27.7 0 0.0 69 -2.4 0 0.0 0 0.0 10 27
66 A 66 GLU E H H > TS+ 0 0 -57.2 -41.9 179.4 48.5 108.0 28.9 0 0.0 70 -1.7 0 0.0 0 0.0 8 25
67 A 67 MET M H H > TS+ 0 0 -66.0 -47.2 177.5 49.9 109.8 22.3 0 0.0 71 -1.8 0 0.0 0 0.0 10 35
68 A 68 ALA A H H X TS+ 0 0 -56.6 -47.5 178.8 47.5 113.4 19.9 64 -2.0 72 -2.0 0 0.0 0 0.0 15 43
69 A 69 THR T H H X TS+ 0 0 -64.5 -28.1 179.7 61.1 104.6 29.4 65 -2.4 73 -0.6 0 0.0 0 0.0 9 35
70 A 70 LEU L H H < TS+ 0 0 -62.9 -41.4 -178.6 25.3 120.6 21.8 66 -1.7 0 0.0 0 0.0 0 0.0 8 35
71 A 71 PHE F H H < > TS+ 0 0 -97.8 -10.8 -177.9 102.3 94.4 55.1 67 -1.8 74 -2.0 0 0.0 0 0.0 11 45
72 A 72 LYS K H H < 3 TS+ 0 0 -40.7 -57.8 180.0 26.2 94.3 28.5 68 -2.0 0 0.0 0 0.0 0 0.0 9 42
73 A 73 ASP D T h < 3 TS+ 0 0 -92.6 10.2 -177.4 107.7 103.4 66.9 69 -0.6 0 0.0 0 0.0 0 0.0 8 31
74 A 74 LYS K S e < TS- 0 0 -90.9 150.3 176.5 -121.4 72.6 122.0 71 -2.0 76 -0.6 0 0.0 37 -0.5 10 35
75 A 75 ASN N E E AA + 36 0 -83.7 128.5 -174.4 172.9 52.0 142.5 0 0.0 106 -2.6 0 0.0 0 0.0 12 34
76 A 76 VAL V E E AAD - 35 105 -133.8 170.9 173.2 -124.6 36.2 143.0 35 -2.9 35 -1.8 74 -0.6 0 0.0 14 49
77 A 77 ASP D E E A*D - 0 104 -112.6 149.0 179.3 -156.0 25.4 157.8 104 -2.8 104 -2.2 0 0.0 0 0.0 13 55
78 A 78 ILE I E E AAD + 32 103 -123.5 137.3 176.7 168.4 19.1 164.1 32 -2.9 32 -1.9 0 0.0 0 0.0 11 65
79 A 79 TYR Y E E AA + 31 0 -146.6 105.6 -174.3 149.9 25.6 147.3 102 -1.7 0 0.0 0 0.0 0 0.0 12 66
80 A 80 GLY G E E AA - 30 0 -146.3 162.4 179.4 -119.2 51.5 164.4 30 -2.9 30 -3.4 0 0.0 82 -0.7 14 67
81 A 81 VAL V - 0 0 -95.0 108.8 -176.5 -148.9 47.8 151.6 0 0.0 0 0.0 0 0.0 0 0.0 13 62
82 A 82 GLU E - 0 0 -91.3 156.1 175.0 -167.8 17.9 121.9 80 -0.7 0 0.0 0 0.0 0 0.0 10 64
83 A 83 TYR Y B B C - 98 0 -133.5 155.3 -177.7 -173.9 12.0 159.5 98 -1.8 98 -2.0 0 0.0 0 0.0 12 54
84 A 84 TYR Y t > T + 0 0 -113.9 -50.0 178.8 90.3 60.6 42.8 0 0.0 87 -2.1 0 0.0 0 0.0 8 43
85 A 85 HIS H T T 3 TS+ 0 0 -58.9 122.8 -178.3 2.5 109.7 117.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
86 A 86 LEU L T T 3 TS+ 0 0 66.8 25.7 176.0 141.6 94.0 47.2 0 0.0 88 -0.6 0 0.0 0 0.0 6 30
87 A 87 CYS C t < T - 0 0 -92.4 122.3 176.9 -178.1 27.3 146.8 84 -2.1 0 0.0 0 0.0 0 0.0 10 42
88 A 88 TYR Y + 0 0 -127.0 136.9 -175.7 142.6 23.2 170.0 86 -0.6 0 0.0 0 0.0 0 0.0 6 38
89 A 89 LEU L - 0 0 -135.6 -40.5 -177.0 -3.8 68.8 52.0 0 0.0 0 0.0 0 0.0 0 0.0 13 41
90 A 90 CYS C t > T - 0 0 -160.9 148.3 179.4 -121.4 56.6 168.3 0 0.0 93 -0.8 0 0.0 0 0.0 6 31
91 A 91 GLU E T T 3 TS+ 0 0 -64.5 -25.9 -179.0 43.1 116.7 40.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
92 A 92 ASN N T T 3 TS+ 0 0 -99.1 -5.6 -177.4 99.8 88.4 65.4 0 0.0 94 -0.6 0 0.0 0 0.0 4 20
93 A 93 ALA A t < T + 0 0 -89.2 116.4 -179.9 169.3 36.0 141.0 90 -0.8 0 0.0 0 0.0 0 0.0 8 29
94 A 94 GLU E S S S+ 0 0 -101.2 -4.5 -178.7 50.4 75.8 64.1 92 -0.6 0 0.0 0 0.0 0 0.0 4 26
95 A 95 ARG R S e S+ 0 0 -129.6 58.0 180.0 142.2 77.7 113.9 0 0.0 56 -2.9 0 0.0 57 -0.8 8 31
96 A 96 SER S E E Bc - 57 0 -105.0 165.4 179.4 -164.0 29.1 129.4 0 0.0 0 0.0 0 0.0 0 0.0 15 41
97 A 97 ALA A E E Bc - 58 0 -135.4 150.8 -178.4 -152.1 12.3 160.6 57 -1.6 59 -2.4 0 0.0 0 0.0 14 53
98 A 98 CYS C E E BcC + 59 83 -133.4 148.3 176.1 172.4 14.6 163.0 83 -2.0 83 -1.8 0 0.0 0 0.0 14 63
99 A 99 ILE I E E Bc - 60 0 -140.8 170.2 175.4 -125.4 27.4 152.8 59 -2.6 61 -2.0 0 0.0 0 0.0 14 70
100 A 100 TYR Y E E Bc S- 61 0 -120.1 139.8 -177.6 -35.3 73.2 163.1 0 0.0 0 0.0 0 0.0 0 0.0 15 64
101 A 101 GLY G e + 0 0 50.9 -131.5 178.9 139.8 69.9 97.7 61 -2.1 0 0.0 0 0.0 0 0.0 15 64
102 A 102 GLY G e + 0 0 69.6 21.7 -175.4 133.6 37.8 47.9 0 0.0 79 -1.7 0 0.0 0 0.0 14 67
103 A 103 VAL V E E AD + 78 0 -111.5 132.3 178.3 165.4 23.5 153.8 0 0.0 0 0.0 0 0.0 0 0.0 10 67
104 A 104 THR T E E AD - 77 0 -141.1 143.2 -178.3 -98.5 43.7 172.9 77 -2.2 77 -2.8 0 0.0 0 0.0 11 60
105 A 105 ASN N E E AD - 76 0 -58.2 143.6 177.0 -147.9 26.4 107.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
106 A 106 HIS H e > T + 0 0 -74.8 -51.9 -176.4 103.6 64.1 15.1 75 -2.6 109 -1.9 0 0.0 0 0.0 11 34
107 A 107 GLU E T T 3 TS- 0 0 -40.3 111.3 179.2 -25.7 105.6 93.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
108 A 108 GLY G T T 3 TS+ 0 0 53.5 32.5 -178.4 117.6 101.3 41.1 0 0.0 0 0.0 0 0.0 0 0.0 4 21
109 A 109 ASN N e < T + 0 0 -105.5 2.9 -178.8 102.9 50.1 64.5 106 -1.9 138 -3.4 0 0.0 0 0.0 9 33
110 A 110 HIS H E E CE - 137 0 -86.8 158.3 -177.6 -144.8 60.1 112.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
111 A 111 LEU L E E C* - 0 0 -126.3 133.8 178.6 -136.1 14.3 170.6 136 -1.3 0 0.0 0 0.0 0 0.0 9 25
112 A 112 GLU E E E C* S+ 0 0 -53.0 -54.5 -179.1 25.8 97.5 17.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
113 A 113 ILE I E E C* S- 0 0 -113.9 139.2 179.4 -98.0 101.5 158.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
114 A 114 PRO P E E C* - 0 0 -51.6 138.8 178.5 -120.5 36.6 99.3 0 0.0 0 0.0 0 0.0 0 0.0 9 25
115 A 115 LYS K E E CE - 135 0 -81.0 133.9 179.9 -144.4 27.3 132.2 135 -2.7 135 -1.5 0 0.0 117 -0.5 11 32
116 A 116 LYS K E E CE - 134 0 -101.6 130.6 179.8 -164.2 14.2 154.1 0 0.0 118 -0.5 0 0.0 0 0.0 8 32
117 A 117 ILE I E E CE - 133 0 -121.0 124.0 -179.9 -136.8 13.8 162.7 133 -2.7 133 -1.9 115 -0.5 0 0.0 11 46
118 A 118 VAL V E E CE - 132 0 -77.1 128.8 -178.2 -148.3 17.5 127.0 116 -0.5 214 -0.7 0 0.0 120 -0.6 10 37
119 A 119 VAL V E E CEf - 131 214 -105.9 118.9 -179.2 -148.7 4.0 154.6 131 -3.9 131 -1.1 0 0.0 121 -0.7 13 47
120 A 120 LYS K E E CEf - 130 215 -88.5 110.9 178.6 -168.8 14.8 139.0 214 -2.0 216 -3.7 118 -0.6 0 0.0 11 39
121 A 121 VAL V E E CEf - 129 216 -106.8 128.8 175.2 -175.8 7.3 150.6 129 -3.1 129 -1.6 119 -0.7 0 0.0 12 44
122 A 122 SER S E E C*f - 0 217 -111.6 146.2 177.7 -166.6 5.0 152.9 216 -3.4 218 -2.2 0 0.0 0 0.0 13 31
123 A 123 ILE I E E CEf> TS- 126 218 -136.8 122.3 -177.5 -16.6 75.5 166.9 126 -2.7 126 -1.9 0 0.0 0 0.0 11 33
124 A 124 ASP D T e 3 TS- 0 0 50.3 41.2 176.8 -48.2 132.4 27.9 218 -3.5 0 0.0 0 0.0 0 0.0 8 24
125 A 125 GLY G T T 3 TS+ 0 0 91.4 -19.8 178.0 99.1 118.5 76.2 0 0.0 0 0.0 0 0.0 0 0.0 7 22
126 A 126 ILE I E E CE < TS- 123 0 -109.9 133.7 176.8 -130.9 71.1 156.2 123 -1.9 123 -2.7 0 0.0 128 -1.7 6 17
127 A 127 GLN Q E E C* + 0 0 -75.0 92.1 -177.3 164.6 38.2 124.1 0 0.0 0 0.0 0 0.0 0 0.0 8 23
128 A 128 SER S E E C* + 0 0 -91.6 -5.8 178.3 27.0 51.0 57.7 126 -1.7 0 0.0 0 0.0 0 0.0 7 22
129 A 129 LEU L E E CE - 121 0 -162.3 152.0 177.1 -171.2 43.0 167.8 121 -1.6 121 -3.1 0 0.0 0 0.0 7 29
130 A 130 SER S E E CE + 120 0 -133.5 141.1 174.5 167.3 16.7 167.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
131 A 131 PHE F E E CE - 119 0 -144.8 167.0 -179.8 -114.6 30.1 154.4 119 -1.1 119 -3.9 0 0.0 0 0.0 7 34
132 A 132 ASP D E E CE - 118 0 -107.6 142.4 170.7 -173.7 20.8 147.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
133 A 133 ILE I E E CE - 117 0 -120.7 172.1 -176.6 -149.6 17.8 139.4 117 -1.9 117 -2.7 0 0.0 0 0.0 11 43
134 A 134 GLU E E E CE - 116 0 -146.9 147.9 175.5 -171.9 13.4 174.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
135 A 135 THR T E E CE - 115 0 -140.4 151.4 178.7 -149.9 23.0 165.4 115 -1.5 115 -2.7 0 0.0 0 0.0 10 49
136 A 136 ASN N E E C* S+ 0 0 -96.9 -1.2 -179.5 94.6 74.0 67.3 0 0.0 111 -1.3 0 0.0 0 0.0 10 41
137 A 137 LYS K E E CE - 110 0 -102.9 140.5 177.9 -154.5 61.8 140.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
138 A 138 LYS K S e S+ 0 0 -67.9 -50.2 176.6 30.3 101.4 20.8 109 -3.4 209 -2.5 0 0.0 140 -0.6 10 40
139 A 139 MET M E E DG S+ 208 0 -112.3 112.9 -176.6 179.4 86.7 163.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
140 A 140 VAL V E E DG - 207 0 -115.5 146.9 177.4 -109.9 30.7 150.1 207 -2.2 207 -2.7 138 -0.6 0 0.0 13 56
141 A 141 THR T E E >DG T - 206 0 -73.0 150.2 175.7 -127.5 21.5 117.6 0 0.0 145 -1.3 0 0.0 0 0.0 13 67
142 A 142 ALA A H H > TS+ 0 0 -57.7 -39.1 178.7 65.2 111.1 26.0 205 -2.5 146 -3.0 0 0.0 0 0.0 12 66
143 A 143 GLN Q H H > TS+ 0 0 -49.0 -52.5 -177.7 49.7 98.1 19.6 205 -0.5 147 -3.1 0 0.0 0 0.0 14 66
144 A 144 GLU E H H > TS+ 0 0 -57.6 -39.5 -176.6 45.7 113.3 20.3 0 0.0 148 -2.4 0 0.0 0 0.0 11 68
145 A 145 LEU L H H X TS+ 0 0 -72.2 -37.8 177.2 50.6 112.2 25.3 141 -1.3 149 -2.6 0 0.0 0 0.0 12 67
146 A 146 ASP D H H X TS+ 0 0 -64.5 -45.7 179.2 54.8 107.8 21.3 142 -3.0 150 -3.4 0 0.0 0 0.0 9 71
147 A 147 TYR Y H H X TS+ 0 0 -54.7 -58.0 177.8 43.2 111.8 14.1 143 -3.1 151 -2.8 0 0.0 0 0.0 12 64
148 A 148 LYS K H H X TS+ 0 0 -55.8 -37.8 179.4 51.1 113.5 26.3 144 -2.4 152 -1.5 0 0.0 0 0.0 9 59
149 A 149 VAL V H H X TS+ 0 0 -63.3 -49.4 -177.8 42.5 116.1 10.9 145 -2.6 153 -2.5 0 0.0 0 0.0 10 60
150 A 150 ARG R H H X TS+ 0 0 -65.1 -38.8 177.9 54.6 108.6 29.4 146 -3.4 154 -2.2 0 0.0 0 0.0 10 61
151 A 151 LYS K H H X TS+ 0 0 -61.3 -32.8 179.8 49.6 113.4 30.3 147 -2.8 155 -1.5 0 0.0 0 0.0 11 44
152 A 152 TYR Y H H X TS+ 0 0 -73.5 -46.8 -176.8 43.8 110.7 19.0 148 -1.5 156 -1.7 0 0.0 0 0.0 9 42
153 A 153 THR T H H X TS+ 0 0 -76.5 -13.2 176.9 55.2 111.8 36.1 149 -2.5 159 -2.1 0 0.0 157 -1.6 11 51
154 A 154 ILE I H H X TS+ 0 0 -74.8 -44.6 -176.2 39.8 114.1 22.1 150 -2.2 158 -0.6 0 0.0 0 0.0 14 42
155 A 155 ASP D H H < TS+ 0 0 -82.4 -18.2 177.9 25.0 131.0 49.7 151 -1.5 0 0.0 0 0.0 0 0.0 9 31
156 A 156 ASN N H H < TS+ 0 0 -117.5 -27.7 -177.5 26.3 132.0 44.1 152 -1.7 0 0.0 0 0.0 0 0.0 6 27
157 A 157 LYS K H H < TS- 0 0 -121.9 19.2 179.1 -110.9 99.1 79.9 153 -1.6 0 0.0 0 0.0 0 0.0 7 40
158 A 158 GLN Q h < T + 0 0 63.0 32.3 -177.7 155.4 57.5 31.9 154 -0.6 166 -1.8 0 0.0 0 0.0 10 37
159 A 159 LEU L S S S+ 0 0 -61.1 -43.1 178.1 9.4 73.8 27.6 153 -2.1 0 0.0 0 0.0 0 0.0 11 53
160 A 160 TYR Y + 0 0 -132.4 153.8 174.6 175.5 69.3 162.2 0 0.0 0 0.0 0 0.0 0 0.0 14 48
161 A 161 THR T - 0 0 -144.4 172.7 174.4 -86.8 55.2 158.4 163 -0.6 163 -2.7 0 0.0 0 0.0 10 35
162 A 162 ASN N S S S+ 0 0 -78.6 77.1 -174.3 19.3 122.9 122.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
163 A 163 GLY G S S S- 0 0 150.3 -145.5 -177.9 -13.3 122.3 168.6 161 -2.7 161 -0.6 0 0.0 0 0.0 8 29
164 A 164 PRO P - 0 0 -89.3 175.9 -178.6 -113.7 64.4 105.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
165 A 165 SER S - 0 0 -97.1 155.6 175.2 -126.8 15.5 133.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
166 A 166 LYS K S S S+ 0 0 -70.1 -19.3 -177.8 72.7 94.3 41.5 158 -1.8 0 0.0 0 0.0 0 0.0 8 37
167 A 167 TYR Y - 0 0 -102.6 147.1 179.7 -159.8 62.9 135.4 0 0.0 0 0.0 0 0.0 0 0.0 11 47
168 A 168 GLU E S S S+ 0 0 -87.9 -42.8 179.0 11.2 82.5 32.1 219 -2.4 12 -2.5 0 0.0 0 0.0 12 42
169 A 169 THR T E E CH + 219 0 -136.7 156.4 -179.5 171.2 67.5 161.0 219 -1.2 219 -2.1 0 0.0 0 0.0 13 49
170 A 170 GLY G E E CH + 218 0 -163.0 141.4 177.4 168.3 4.2 160.6 0 0.0 186 -2.7 0 0.0 187 -0.5 13 59
171 A 171 TYR Y E E CHI - 217 185 -153.1 157.2 -178.6 -141.0 22.1 168.2 217 -1.2 217 -2.0 0 0.0 0 0.0 13 60
172 A 172 ILE I E E CHI - 216 184 -123.3 137.1 -176.3 -155.1 17.4 170.2 184 -1.9 184 -2.2 0 0.0 0 0.0 13 63
173 A 173 LYS K E E CHI - 215 183 -121.1 130.6 -179.4 -154.9 1.2 163.2 215 -3.0 215 -2.0 0 0.0 0 0.0 11 53
174 A 174 PHE F E E CHI - 214 182 -106.3 130.6 -179.3 -167.1 4.9 153.5 182 -3.2 182 -2.1 0 0.0 0 0.0 12 54
175 A 175 ILE I E E CH - 213 0 -122.9 97.2 -179.5 -163.9 5.9 151.7 213 -2.2 213 -2.8 0 0.0 0 0.0 10 41
176 A 176 PRO P E E CH - 212 0 -81.2 128.0 -179.3 -117.1 31.1 133.7 0 0.0 0 0.0 0 0.0 0 0.0 12 34
177 A 177 LYS K S e S+ 0 0 -23.2 -57.7 -177.3 28.0 102.8 41.0 211 -1.2 0 0.0 0 0.0 0 0.0 6 24
178 A 178 ASN N S S S+ 0 0 -77.4 -123.0 -176.4 19.3 111.6 39.8 0 0.0 0 0.0 0 0.0 0 0.0 4 19
179 A 179 LYS K S S S- 0 0 -57.6 -175.8 -173.0 -21.2 97.5 62.7 0 0.0 0 0.0 0 0.0 0 0.0 5 19
180 A 180 GLU E - 0 0 -32.5 129.9 177.0 -132.6 55.5 78.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
181 A 181 SER S - 0 0 -74.3 163.4 176.5 -171.1 30.7 112.6 0 0.0 0 0.0 0 0.0 0 0.0 10 31
182 A 182 PHE F E E CI - 174 0 -152.1 168.5 -177.8 -153.9 8.9 168.7 174 -2.1 174 -3.2 0 0.0 0 0.0 10 42
183 A 183 TRP W E E CI - 173 0 -149.8 161.6 179.5 -143.7 9.0 165.9 0 0.0 0 0.0 0 0.0 0 0.0 11 56
184 A 184 PHE F E E CI - 172 0 -125.2 135.2 175.3 -124.4 24.9 172.9 172 -2.2 172 -1.9 0 0.0 0 0.0 8 53
185 A 185 ASP D E E CI - 171 0 -74.8 122.2 178.4 -148.4 12.2 130.6 0 0.0 0 0.0 0 0.0 0 0.0 10 56
186 A 186 PHE F S e S+ 0 0 -64.6 -15.9 -176.7 63.3 80.5 46.3 170 -2.7 0 0.0 0 0.0 0 0.0 8 74
187 A 187 PHE F S S S- 0 0 -121.0 141.7 179.7 -139.7 74.0 155.7 170 -0.5 0 0.0 0 0.0 0 0.0 12 63
188 A 188 PRO P - 0 0 -80.4 174.0 172.1 -82.4 39.8 103.0 0 0.0 0 0.0 0 0.0 0 0.0 11 47
189 A 189 GLU E - 0 0 -67.4 166.7 -178.0 -92.2 58.4 106.0 0 0.0 0 0.0 0 0.0 0 0.0 7 35
190 A 190 PRO P S S S+ 0 0 -52.0 -52.8 176.3 29.9 117.2 27.3 0 0.0 16 -2.8 0 0.0 192 -0.6 8 30
191 A 191 GLU E S S S+ 0 0 -112.2 117.4 -173.9 142.2 91.9 163.7 0 0.0 0 0.0 0 0.0 0 0.0 8 22
192 A 192 PHE F - 0 0 -143.3 175.8 171.2 -127.9 43.6 144.3 190 -0.6 0 0.0 0 0.0 0 0.0 9 32
193 A 193 THR T h > T - 0 0 -131.1 152.9 179.1 -123.7 25.8 168.1 0 0.0 197 -2.4 0 0.0 0 0.0 6 33
194 A 194 GLN Q H H > TS+ 0 0 -57.6 -39.2 -179.0 58.4 111.4 27.7 0 0.0 198 -2.7 0 0.0 0 0.0 10 44
195 A 195 SER S H H 4 TS+ 0 0 -59.9 -45.8 179.8 41.8 109.7 29.0 0 0.0 0 0.0 0 0.0 0 0.0 10 41
196 A 196 LYS K H H 4 > TS+ 0 0 -69.7 -41.7 -179.9 51.6 114.3 22.3 0 0.0 199 -1.2 0 0.0 0 0.0 7 39
197 A 197 TYR Y H H < > TS+ 0 0 -61.9 -42.4 -174.1 60.2 102.2 30.1 193 -2.4 200 -1.5 0 0.0 0 0.0 9 51
198 A 198 LEU L G h < > TS+ 0 0 -72.2 -4.3 179.0 92.1 75.8 54.0 194 -2.7 201 -2.5 0 0.0 0 0.0 11 56
199 A 199 MET M G G X T + 0 0 -66.5 -8.7 172.8 85.9 62.1 52.9 196 -1.2 202 -1.3 0 0.0 0 0.0 9 47
200 A 200 ILE I G G < TS+ 0 0 -62.8 -14.8 179.7 45.7 94.3 41.6 197 -1.5 0 0.0 0 0.0 0 0.0 8 50
201 A 201 TYR Y G G X TS+ 0 0 -102.9 -1.4 -177.4 97.5 83.6 66.6 198 -2.5 204 -1.8 0 0.0 0 0.0 12 57
202 A 202 LYS K T g < TS+ 0 0 -59.4 -32.2 -174.5 60.9 74.3 34.4 199 -1.3 0 0.0 0 0.0 0 0.0 12 47
203 A 203 ASP D T T 3 TS- 0 0 -80.0 2.6 176.2 -134.3 100.4 60.9 0 0.0 0 0.0 0 0.0 0 0.0 10 43
204 A 204 ASN N t < T - 0 0 54.9 29.4 -179.9 -161.6 27.6 42.7 201 -1.8 0 0.0 0 0.0 0 0.0 14 52
205 A 205 GLU E e - 0 0 -46.6 129.2 -175.6 -174.1 11.0 96.6 0 0.0 142 -2.5 0 0.0 143 -0.5 10 54
206 A 206 THR T E E DG - 141 0 -131.2 142.1 178.3 -179.2 5.7 163.4 0 0.0 0 0.0 0 0.0 0 0.0 9 56
207 A 207 LEU L E E DG - 140 0 -144.8 167.1 -177.1 -92.2 37.6 162.5 140 -2.7 140 -2.2 0 0.0 209 -0.6 10 46
208 A 208 ASP D E E >DG T - 139 0 -74.5 116.0 -178.5 -155.6 31.1 126.5 0 0.0 212 -0.5 0 0.0 0 0.0 10 40
209 A 209 ASN N T e 4 TS+ 0 0 -71.1 -12.0 -179.1 60.3 87.7 45.4 138 -2.5 0 0.0 207 -0.6 0 0.0 12 46
210 A 210 LYS K T T 4 TS+ 0 0 -79.3 -35.8 -177.5 28.4 118.2 29.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
211 A 211 THR T T e 4 TS+ 0 0 -115.2 25.2 179.2 94.9 96.4 79.8 0 0.0 177 -1.2 0 0.0 0 0.0 7 32
212 A 212 SER S E E >3<< >>3X333< >33< >33< >33< >33< 3-turns
bridge-2 A ccccc DDD C bridge-2
bridge-1 AAA**AA A BBBB B B BBBB AA*AAA C ccccc bridge-1
sheets AAAAAAA BBBB BBBBB AAAAAA BBBBB sheets
4-turns >444< >444< >>4>XX4<<< >>>>XX<<<< 4-turns
summary gGGGg gGGGgTThHHHHHHHHh EEEEEEEe B StTeEEEE BTTBSEEEEEeShHHHHHHHHheEEEEEE BtTTt tTTtSeEEEEE summary
sequence QQDPDPSQLHRSSLVKNLQNIYFLYEGDPVTHENVKSVDQLLSHDLIYNVSGPNYDKLKTELKNQEMATLFKDKNVDIYGVEYYHLCYLCENAERSACIY sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE TT EEEEEEEEEEEEEETTEEEEEEEEEEEESEEEHHHHHHHHHHHHHHHH S SS S SEEEEEEEESSS EEEESS SS HHHHGGG Kabs/Sand
chirality +++--+-++--+------------+-++-+-----+-++--+++++++++++++++-+++-+---+-+++------++-------+---++--+++++++ chirality
bends SS SS SSSS S SS SSSSSSSSSSSSSSSS S SS S S SSS SS SS SSSSS S bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >>>X< 3-turns
bridge-2 fffff IIII bridge-2
bridge-1 DDD E****EEEEEEE*E E**EEEEEEE*E GGG HHHHHHHH IIII bridge-1
sheets AAA CCCCCCCCCCCCCC CCCCCCCCCCCC DDD CCCCCCCC CCCC sheets
4-turns >>>>XXXXXXXXXX<<<< >>44<< 4-turns
summary eeEEEeTTeEEEEEEEEEEEEEEeTEEEEEEEEEEEEeEEEHHHHHHHHHHHHHHHHhS SS S SEEEEEEEEeSS EEEEeS SS hHHHHhGG summary
sequence GGVTNHEGNHLEIPKKIVVKVSIDGIQSLSFDIETNKKMVTAQELDYKVRKYTIDNKQLYTNGPSKYETGYIKFIPKNKESFWFDFFPEPEFTQSKYLMI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GTT EEETTTEEEEEEEE Kabs/Sand
chirality ++------+++-----+-- chirality
bends SSS SSS bends
turns TTTT TTTTT turns
5-turns 5-turns
3-turns X<3< 3-turns
bridge-2 HHHHHHHH bridge-2
bridge-1 GGG fffff bridge-1
sheets DDD CCCCCCCC sheets
4-turns >444< 4-turns
summary GgTteEEEeTeEEEEEEEE summary
sequence YKDNETLDNKTSQIEVYLTTK sequence
210 220