Secondary structure calculation program - copyright by David Keith Smith, 1989
1kkuA.pdb
1KKU TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 216
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 GLU E 0 0 999.9 7.5 -172.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 15
2 A 6 LYS K - 0 0 -69.1 163.3 176.2 -101.1 999.9 98.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
3 A 7 THR T E E Aa - 37 0 -87.3 139.3 177.5 -128.4 30.1 136.3 36 -2.5 38 -2.8 0 0.0 0 0.0 9 27
4 A 8 GLU E E E Aa - 38 0 -85.5 128.4 -174.9 -170.6 32.0 138.5 0 0.0 109 -2.7 0 0.0 0 0.0 11 34
5 A 9 VAL V E E Aab - 39 109 -125.2 142.2 168.9 -153.9 19.1 158.4 38 -2.2 40 -3.1 0 0.0 41 -0.9 13 51
6 A 10 VAL V E E Aab - 41 110 -110.6 136.3 -178.5 -140.9 17.6 162.9 109 -2.8 111 -2.3 0 0.0 8 -0.5 13 58
7 A 11 LEU L E E Aab - 42 111 -99.1 119.6 -177.3 -170.6 18.0 146.1 41 -2.4 43 -3.5 0 0.0 9 -0.5 13 67
8 A 12 LEU L E E Aab - 43 112 -116.3 119.6 173.2 -171.9 4.7 162.1 111 -2.4 113 -2.3 6 -0.5 10 -0.6 13 68
9 A 13 ALA A E E Aa - 44 0 -113.4 113.4 167.2 -174.2 3.6 162.3 43 -3.1 45 -2.3 7 -0.5 0 0.0 11 72
10 A 14 CYS C E E Aa + 45 0 -85.8 167.7 -179.3 105.4 30.2 119.5 8 -0.6 0 0.0 0 0.0 0 0.0 11 63
11 A 15 GLY G E E Aa S- 46 0 146.9 -175.6 -178.0 -80.5 75.8 153.2 45 -0.7 47 -1.8 0 0.0 0 0.0 7 61
12 A 16 SER S - 0 0 -94.6 -24.2 -177.6 -156.8 39.1 46.1 0 0.0 0 0.0 0 0.0 0 0.0 9 59
13 A 17 PHE F t > T - 0 0 42.6 61.1 -170.6 -176.8 19.4 18.7 0 0.0 16 -0.7 0 0.0 0 0.0 10 66
14 A 18 ASN N T T 3 TS- 0 0 -123.2 70.0 -7.6 -15.0 83.0 120.6 0 0.0 0 0.0 0 0.0 0 0.0 8 61
15 A 19 PRO P T T 3 TS- 0 0 -92.4 -179.0 173.6 -129.2 88.3 51.9 0 0.0 0 0.0 0 0.0 0 0.0 10 66
16 A 20 ILE I t < T - 0 0 -72.3 150.1 179.6 -177.3 33.4 115.7 13 -0.7 0 0.0 0 0.0 0 0.0 13 64
17 A 21 THR T h > > T - 0 0 -141.2 -178.7 178.7 -85.0 45.2 151.7 0 0.0 21 -1.3 0 0.0 20 -0.6 13 56
18 A 22 ASN N H H > 3 TS+ 0 0 -59.0 -34.1 -179.4 65.7 120.8 31.4 198 -2.7 22 -2.9 0 0.0 0 0.0 10 45
19 A 23 MET M H H > 3 TS+ 0 0 -56.9 -46.0 179.1 47.1 100.7 21.2 0 0.0 23 -2.2 0 0.0 0 0.0 13 50
20 A 24 HIS H H H > < TS+ 0 0 -63.6 -36.8 179.4 49.5 113.2 31.3 17 -0.6 24 -1.1 0 0.0 0 0.0 8 65
21 A 25 LEU L H H X TS+ 0 0 -66.9 -41.4 177.6 52.3 108.8 25.2 17 -1.3 25 -1.4 0 0.0 0 0.0 9 62
22 A 26 ARG R H H X TS+ 0 0 -62.7 -42.9 177.2 63.4 100.3 28.5 18 -2.9 26 -2.9 0 0.0 0 0.0 8 49
23 A 27 LEU L H H X TS+ 0 0 -50.4 -42.3 177.1 49.4 102.9 28.8 19 -2.2 27 -2.3 0 0.0 0 0.0 9 62
24 A 28 PHE F H H X TS+ 0 0 -62.0 -49.0 -174.4 44.6 112.2 18.9 20 -1.1 28 -2.4 0 0.0 0 0.0 10 60
25 A 29 GLU E H H X TS+ 0 0 -64.6 -42.1 177.0 51.6 114.8 21.4 21 -1.4 29 -2.4 0 0.0 0 0.0 8 48
26 A 30 LEU L H H X TS+ 0 0 -54.2 -47.7 -164.2 46.2 111.5 17.8 22 -2.9 30 -2.0 0 0.0 0 0.0 11 45
27 A 31 ALA A H H X TS+ 0 0 -76.3 -33.3 178.1 47.9 113.0 28.4 23 -2.3 31 -3.0 0 0.0 0 0.0 11 56
28 A 32 LYS K H H X TS+ 0 0 -70.0 -44.4 177.4 53.1 108.7 28.7 24 -2.4 32 -2.5 0 0.0 0 0.0 9 51
29 A 33 ASP D H H X TS+ 0 0 -53.3 -39.8 -170.7 44.8 114.6 23.0 25 -2.4 33 -1.2 0 0.0 0 0.0 8 37
30 A 34 TYR Y H H X > TS+ 0 0 -73.0 -55.4 -175.2 46.6 113.2 16.3 26 -2.0 34 -0.6 0 0.0 33 -0.5 9 40
31 A 35 MET M H H < > TS+ 0 0 -52.2 -52.6 -174.7 47.7 114.4 15.0 27 -3.0 34 -2.1 0 0.0 37 -0.7 12 45
32 A 36 ASN N H H < > TS+ 0 0 -63.2 -25.0 178.8 57.9 107.6 41.4 28 -2.5 35 -0.6 0 0.0 0 0.0 11 30
33 A 37 GLY G H H < < TS+ 0 0 -86.3 0.4 171.2 76.6 86.4 63.1 29 -1.2 0 0.0 30 -0.5 0 0.0 8 26
34 A 38 THR T T h < < TS- 0 0 -68.5 -30.6 -169.5 -135.4 96.1 41.6 31 -2.1 0 0.0 30 -0.6 0 0.0 7 26
35 A 39 GLY G S t < TS+ 0 0 85.1 -9.1 -176.9 84.6 91.6 75.5 32 -0.6 0 0.0 0 0.0 0 0.0 7 18
36 A 40 ARG R S e S+ 0 0 -100.2 -13.1 -177.2 37.0 87.7 51.9 0 0.0 3 -2.5 0 0.0 0 0.0 10 24
37 A 41 TYR Y E E Aa - 3 0 -136.9 167.4 173.0 -151.0 52.6 152.5 31 -0.7 0 0.0 0 0.0 0 0.0 12 32
38 A 42 THR T E E Aa - 4 0 -139.3 122.0 -171.7 -137.6 24.1 169.5 3 -2.8 5 -2.2 0 0.0 0 0.0 10 32
39 A 43 VAL V E E Aa + 5 0 -88.6 132.1 -164.4 177.1 24.2 132.4 0 0.0 0 0.0 0 0.0 0 0.0 11 44
40 A 44 VAL V E E A* - 0 0 -115.3 -24.2 177.6 -10.0 54.8 40.0 5 -3.1 0 0.0 0 0.0 0 0.0 9 40
41 A 45 LYS K E E Aa - 6 0 -164.7 149.5 163.2 -143.1 53.5 163.2 5 -0.9 7 -2.4 0 0.0 0 0.0 10 45
42 A 46 GLY G E E Aac - 7 76 -118.7 155.9 -175.9 -159.7 11.9 162.1 75 -2.6 77 -2.5 0 0.0 0 0.0 12 58
43 A 47 ILE I E E Aac - 8 77 -138.9 125.1 174.7 -162.8 9.1 168.1 7 -3.5 9 -3.1 0 0.0 0 0.0 12 61
44 A 48 ILE I E E Aac - 9 78 -96.5 135.2 -180.0 -176.4 14.5 144.5 77 -2.6 79 -1.8 0 0.0 0 0.0 12 63
45 A 49 SER S E E Aa - 10 0 -139.9 94.3 -178.0 -150.8 12.5 141.0 9 -2.3 11 -0.7 0 0.0 0 0.0 14 62
46 A 50 PRO P E E Aa - 11 0 -66.8 150.3 -176.5 -103.5 25.3 104.0 0 0.0 0 0.0 0 0.0 0 0.0 14 61
47 A 51 VAL V e - 0 0 -71.7 165.8 -171.0 -114.5 40.9 103.5 11 -1.8 0 0.0 0 0.0 0 0.0 11 50
48 A 52 GLY G t > T - 0 0 -99.1 -175.4 -176.4 -99.7 24.0 105.7 0 0.0 51 -0.6 0 0.0 0 0.0 11 44
49 A 53 ASP D T T 3 TS+ 0 0 -82.6 -11.3 178.0 75.4 110.5 55.3 83 -0.6 0 0.0 0 0.0 0 0.0 9 34
50 A 54 ALA A T T 3 TS+ 0 0 -67.2 -30.1 -179.7 80.9 76.8 33.8 0 0.0 52 -0.9 0 0.0 0 0.0 7 27
51 A 55 TYR Y S t < TS- 0 0 -71.8 109.5 -175.6 -156.7 81.9 132.2 48 -0.6 53 -1.3 0 0.0 0 0.0 7 31
52 A 56 LYS K + 0 0 -99.2 83.8 171.6 156.7 27.1 126.7 50 -0.9 0 0.0 0 0.0 0 0.0 6 23
53 A 57 LYS K t > T - 0 0 -99.3 158.4 177.3 -109.4 45.0 139.8 51 -1.3 56 -0.8 0 0.0 0 0.0 5 22
54 A 58 LYS K T T 3 TS+ 0 0 -79.1 140.8 -173.9 20.1 105.0 123.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
55 A 59 GLY G T T 3 TS+ 0 0 82.4 -16.1 179.4 125.1 91.3 78.3 0 0.0 57 -0.7 0 0.0 0 0.0 5 34
56 A 60 LEU L t < T - 0 0 -78.7 113.4 -175.7 -148.5 53.1 132.3 53 -0.8 0 0.0 0 0.0 0 0.0 8 37
57 A 61 ILE I - 0 0 -84.1 165.0 -175.2 -65.5 36.0 110.3 55 -0.7 0 0.0 0 0.0 0 0.0 7 41
58 A 62 PRO P h > > T - 0 0 -51.0 133.0 174.4 -121.4 46.8 97.5 0 0.0 62 -1.2 0 0.0 61 -0.9 7 38
59 A 63 ALA A H H > 3 TS+ 0 0 -38.6 -35.6 -162.9 67.5 106.4 37.5 0 0.0 63 -3.5 0 0.0 0 0.0 11 44
60 A 64 TYR Y H H > 3 TS+ 0 0 -72.7 -34.4 176.2 47.0 101.9 26.2 0 0.0 64 -2.5 0 0.0 0 0.0 6 38
61 A 65 HIS H H H > < TS+ 0 0 -64.5 -40.9 -172.8 47.1 113.6 25.5 58 -0.9 65 -2.4 0 0.0 0 0.0 8 42
62 A 66 ARG R H H X TS+ 0 0 -74.6 -35.3 171.4 52.4 111.1 27.2 58 -1.2 66 -2.2 0 0.0 0 0.0 15 57
63 A 67 VAL V H H X TS+ 0 0 -60.9 -49.2 179.0 49.8 109.7 11.5 59 -3.5 67 -2.2 0 0.0 0 0.0 11 47
64 A 68 ILE I H H X > TS+ 0 0 -51.4 -58.2 -169.2 49.2 109.8 19.5 60 -2.5 68 -3.5 0 0.0 67 -0.6 8 45
65 A 69 MET M H H X 3 TS+ 0 0 -60.7 -35.2 171.5 49.7 111.2 22.7 61 -2.4 69 -2.4 0 0.0 0 0.0 12 56
66 A 70 ALA A H H X 3 TS+ 0 0 -67.4 -33.3 -178.1 50.1 110.6 27.1 62 -2.2 70 -1.5 0 0.0 0 0.0 13 57
67 A 71 GLU E H H X < TS+ 0 0 -73.1 -34.2 177.9 49.0 111.5 17.3 63 -2.2 71 -0.6 64 -0.6 0 0.0 10 47
68 A 72 LEU L H H < > TS+ 0 0 -65.2 -34.3 -171.3 55.7 107.9 24.2 64 -3.5 71 -0.9 0 0.0 0 0.0 9 41
69 A 73 ALA A H H < 3 TS+ 0 0 -70.3 -31.8 179.2 34.3 116.5 36.7 65 -2.4 0 0.0 0 0.0 0 0.0 11 48
70 A 74 THR T H H < > TS+ 0 0 -105.0 13.7 -174.1 113.2 79.0 79.4 66 -1.5 73 -1.4 0 0.0 0 0.0 9 44
71 A 75 LYS K T h < < TS+ 0 0 -58.9 -27.2 -173.8 37.8 87.0 35.3 68 -0.9 0 0.0 67 -0.6 0 0.0 6 29
72 A 76 ASN N T T 3 TS+ 0 0 -103.8 -2.4 -174.9 114.2 89.2 66.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
73 A 77 SER S t < T - 0 0 -78.7 133.0 176.3 -152.1 55.8 124.2 70 -1.4 0 0.0 0 0.0 0 0.0 7 28
74 A 78 LYS K S S S+ 0 0 -65.7 -25.6 -160.6 21.0 89.6 38.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
75 A 79 TRP W S e S+ 0 0 -129.9 -19.4 179.1 78.8 100.1 55.1 0 0.0 42 -2.6 0 0.0 0 0.0 7 35
76 A 80 VAL V E E Ac + 42 0 -101.8 137.9 -178.1 171.4 51.6 155.0 0 0.0 0 0.0 0 0.0 0 0.0 10 45
77 A 81 GLU E E E Ac - 43 0 -138.7 166.7 174.4 -115.7 29.3 149.7 42 -2.5 44 -2.6 0 0.0 0 0.0 11 42
78 A 82 VAL V E E Ac - 44 0 -110.1 130.7 178.1 -165.9 19.2 158.1 0 0.0 0 0.0 0 0.0 0 0.0 10 48
79 A 83 ASP D e - 0 0 -119.3 130.8 -161.3 -165.9 6.1 163.9 44 -1.8 0 0.0 0 0.0 0 0.0 8 47
80 A 84 THR T h > T + 0 0 -104.8 -0.6 -175.8 108.0 58.3 66.6 0 0.0 84 -1.6 0 0.0 0 0.0 9 45
81 A 85 TRP W H H > > TS+ 0 0 -46.4 -65.0 -172.7 41.3 82.4 23.4 0 0.0 84 -2.1 0 0.0 85 -1.1 7 43
82 A 86 GLU E H H 4 3 TS+ 0 0 -58.3 -34.1 176.9 56.8 111.8 31.7 0 0.0 0 0.0 0 0.0 0 0.0 13 43
83 A 87 SER S H H 4 3 TS+ 0 0 -64.6 -24.3 -176.4 53.4 106.2 41.6 0 0.0 49 -0.6 0 0.0 0 0.0 11 47
84 A 88 LEU L H H < < TS+ 0 0 -83.4 -29.0 -172.7 105.7 80.2 37.8 81 -2.1 0 0.0 80 -1.6 0 0.0 7 32
85 A 89 GLN Q h < T - 0 0 -63.0 149.5 -169.0 -137.1 67.0 102.0 81 -1.1 0 0.0 0 0.0 0 0.0 9 27
86 A 90 LYS K S S S+ 0 0 -82.8 -32.1 166.8 48.5 89.9 39.2 0 0.0 0 0.0 0 0.0 0 0.0 5 19
87 A 91 GLU E S S S- 0 0 -106.2 141.5 -179.5 -98.2 100.7 154.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
88 A 92 TRP W - 0 0 -59.9 140.2 -171.0 -143.0 39.6 106.5 0 0.0 0 0.0 0 0.0 0 0.0 10 31
89 A 93 LYS K - 0 0 -112.5 140.2 177.8 -125.4 7.1 146.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
90 A 94 GLU E h > > T - 0 0 -84.6 149.2 -173.5 -114.0 27.9 124.9 0 0.0 94 -2.2 0 0.0 93 -1.5 6 42
91 A 95 THR T H H > 3 TS+ 0 0 -54.5 -33.3 -178.3 60.3 115.8 34.1 0 0.0 95 -3.2 0 0.0 0 0.0 7 52
92 A 96 LEU L H H > 3 TS+ 0 0 -65.6 -33.6 175.9 44.9 107.9 26.4 0 0.0 96 -1.8 0 0.0 0 0.0 9 41
93 A 97 LYS K H H > < TS+ 0 0 -73.7 -41.0 178.0 53.2 110.2 22.2 90 -1.5 97 -3.3 0 0.0 0 0.0 8 39
94 A 98 VAL V H H X TS+ 0 0 -58.2 -42.1 178.2 49.7 111.1 18.6 90 -2.2 98 -2.4 0 0.0 0 0.0 10 50
95 A 99 LEU L H H X TS+ 0 0 -60.1 -44.3 -175.5 46.0 111.0 28.0 91 -3.2 99 -2.3 0 0.0 0 0.0 12 52
96 A 100 ARG R H H X TS+ 0 0 -68.1 -42.6 178.1 56.6 110.1 17.1 92 -1.8 100 -2.9 0 0.0 0 0.0 8 39
97 A 101 HIS H H H X TS+ 0 0 -51.6 -50.2 -175.6 42.0 111.1 20.3 93 -3.3 101 -1.5 0 0.0 0 0.0 8 41
98 A 102 HIS H H H X TS+ 0 0 -74.7 -29.6 173.7 50.6 113.8 32.7 94 -2.4 102 -0.8 0 0.0 0 0.0 9 48
99 A 103 GLN Q H H X > TS+ 0 0 -67.6 -45.2 -179.3 49.9 109.9 22.0 95 -2.3 103 -1.5 0 0.0 102 -0.7 10 41
100 A 104 GLU E H H X 3 TS+ 0 0 -62.0 -31.7 -177.3 60.2 105.2 30.7 96 -2.9 104 -0.9 0 0.0 0 0.0 8 25
101 A 105 LYS K H H < 3 TS+ 0 0 -67.5 -27.3 -175.7 46.4 106.0 36.7 97 -1.5 0 0.0 0 0.0 0 0.0 8 29
102 A 106 LEU L H H < X TS+ 0 0 -84.1 -30.6 -177.5 56.6 106.6 33.1 98 -0.8 105 -0.7 99 -0.7 0 0.0 10 28
103 A 107 GLU E H H < 3 TS+ 0 0 -71.6 -18.4 -176.2 63.9 99.4 43.9 99 -1.5 0 0.0 0 0.0 0 0.0 8 19
104 A 108 ALA A T h < 3 TS+ 0 0 -86.1 -20.8 162.7 70.2 84.3 44.0 100 -0.9 106 -1.1 0 0.0 0 0.0 6 14
105 A 109 SER S t < T 0 0 -77.6 49.8 -167.4 999.9 999.9 106.0 102 -0.7 0 0.0 0 0.0 0 0.0 5 14
106!A 110 ASP D 0 0 63.1 999.9 999.9 999.9 999.9 110.3 104 -1.1 0 0.0 0 0.0 0 0.0 5 11
107!A 148 VAL V 0 0 999.9 103.2 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
108 A 149 PRO P - 0 0 -76.2 142.1 -177.4 -133.6 999.9 115.5 0 0.0 110 -0.5 0 0.0 0 0.0 9 37
109 A 150 LYS K E E Ab - 5 0 -97.6 127.3 173.8 -138.3 12.6 143.4 4 -2.7 6 -2.8 0 0.0 0 0.0 10 47
110 A 151 VAL V E E Ab - 6 0 -76.2 148.9 175.5 -169.9 21.1 124.9 108 -0.5 0 0.0 0 0.0 0 0.0 13 59
111 A 152 LYS K E E Ab - 7 0 -140.3 143.7 -179.3 -114.1 24.9 170.7 6 -2.3 8 -2.4 0 0.0 0 0.0 12 67
112 A 153 LEU L E E Abd - 8 142 -82.4 127.3 179.3 -154.0 24.1 136.4 141 -2.3 143 -2.7 0 0.0 114 -0.5 13 64
113 A 154 LEU L E E A d + 0 143 -100.3 122.5 -173.1 137.2 35.6 153.7 8 -2.3 0 0.0 0 0.0 0 0.0 12 63
114 A 155 CYS C E E A d - 0 144 -150.6 -179.0 167.6 -115.5 43.9 145.4 143 -2.4 145 -2.1 112 -0.5 0 0.0 11 65
115 A 156 GLY G h > > T - 0 0 -114.7 -164.8 -172.0 -83.6 47.0 120.3 0 0.0 119 -0.8 0 0.0 118 -0.7 10 55
116 A 157 ALA A H H > > TS+ 0 0 -70.8 -51.7 163.0 75.9 118.7 17.2 0 0.0 120 -2.3 0 0.0 119 -1.1 13 45
117 A 158 ASP D H H > 3 TS+ 0 0 -15.4 -52.8 172.7 56.3 92.1 35.1 0 0.0 121 -3.3 0 0.0 0 0.0 7 41
118 A 159 LEU L H H > < TS+ 0 0 -55.4 -55.5 170.7 45.1 108.9 17.4 115 -0.7 122 -1.8 0 0.0 0 0.0 8 53
119 A 160 LEU L H H X X TS+ 0 0 -51.1 -54.1 174.9 50.7 112.2 11.2 116 -1.1 122 -0.8 115 -0.8 123 -0.7 11 52
120 A 161 GLU E H H X > TS+ 0 0 -46.8 -47.8 -166.9 51.1 111.2 13.5 116 -2.3 123 -2.0 0 0.0 124 -0.8 9 37
121 A 162 SER S H H < > TS+ 0 0 -62.0 -30.1 -166.9 65.4 98.8 36.0 117 -3.3 124 -0.6 0 0.0 0 0.0 8 34
122 A 163 PHE F H H < < TS+ 0 0 -70.4 -14.3 -169.7 45.6 103.4 54.2 118 -1.8 0 0.0 119 -0.8 0 0.0 9 44
123 A 164 ALA A H H < < TS+ 0 0 -113.8 -13.8 167.4 125.2 71.8 55.2 120 -2.0 0 0.0 119 -0.7 0 0.0 9 32
124 A 165 VAL V S h X X TS- 0 0 -45.4 124.7 -158.3 -103.4 78.2 107.8 120 -0.8 127 -1.2 121 -0.6 128 -0.7 8 23
125 A 166 PRO P T T 4 3 TS+ 0 0 -36.1 -63.9 -171.4 2.2 100.3 49.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
126 A 167 ASN N T T 4 3 TS+ 0 0 -105.3 -1.0 -162.1 101.9 103.5 65.2 0 0.0 0 0.0 0 0.0 0 0.0 5 14
127 A 168 LEU L T T 4 < TS+ 0 0 -65.3 -44.7 180.0 34.6 78.9 34.8 124 -1.2 0 0.0 0 0.0 0 0.0 8 19
128 A 169 TRP W S t < TS- 0 0 -113.5 149.7 169.5 -119.3 78.3 150.2 124 -0.7 130 -0.6 0 0.0 0 0.0 10 27
129 A 170 LYS K h > > T - 0 0 -80.4 121.4 -174.9 -135.0 24.0 140.0 0 0.0 133 -2.0 0 0.0 132 -1.7 7 25
130 A 171 SER S H H > 3 TS+ 0 0 -48.1 -33.8 -173.0 55.0 104.6 36.8 128 -0.6 134 -1.7 0 0.0 0 0.0 7 31
131 A 172 GLU E H H > 3 TS+ 0 0 -76.6 -29.0 175.2 50.7 105.7 34.9 0 0.0 135 -2.0 0 0.0 0 0.0 6 26
132 A 173 ASP D H H > < TS+ 0 0 -72.3 -45.1 172.7 49.7 110.2 20.9 129 -1.7 136 -2.4 0 0.0 0 0.0 9 36
133 A 174 ILE I H H X TS+ 0 0 -54.3 -35.7 -170.5 52.8 110.9 24.9 129 -2.0 137 -2.4 0 0.0 0 0.0 11 46
134 A 175 THR T H H X TS+ 0 0 -73.9 -41.4 -174.8 48.4 107.7 22.1 130 -1.7 138 -2.7 0 0.0 0 0.0 11 40
135 A 176 GLN Q H H X >TS+ 0 0 -67.4 -42.0 177.6 47.2 113.1 17.5 131 -2.0 139 -3.3 0 0.0 140 -0.6 10 36
136 A 177 ILE I H H X >TS+ 0 0 -58.7 -53.2 -167.2 39.4 118.5 13.6 132 -2.4 141 -1.8 0 0.0 140 -1.8 11 50
137 A 178 VAL V H H < 5TS+ 0 0 -66.5 -46.4 -166.1 36.9 125.1 27.6 133 -2.4 0 0.0 0 0.0 0 0.0 13 52
138 A 179 ALA A H H < 5TS+ 0 0 -78.7 -38.6 -174.3 38.0 122.2 32.1 134 -2.7 0 0.0 0 0.0 0 0.0 9 35
139 A 180 ASN N H H < 5TS+ 0 0 -85.8 -27.8 -177.8 11.5 135.9 35.4 135 -3.3 0 0.0 0 0.0 0 0.0 7 39
140 A 181 TYR Y T h < > T + 0 0 -141.2 51.6 -150.4 151.4 59.9 112.3 0 0.0 152 -2.3 0 0.0 151 -1.0 8 31
149 A 190 GLY G H H > 3 TS+ 0 0 -79.7 -20.9 168.6 68.5 71.4 33.7 0 0.0 153 -3.8 0 0.0 0 0.0 12 36
150 A 191 ASN N H H > 3 TS+ 0 0 -53.8 -48.2 162.8 42.2 102.9 17.5 0 0.0 154 -1.4 0 0.0 0 0.0 6 26
151 A 192 ASP D H H > < TS+ 0 0 -57.7 -47.7 -177.1 58.4 112.5 20.1 148 -1.0 155 -2.4 0 0.0 0 0.0 8 32
152 A 193 ALA A H H X TS+ 0 0 -51.0 -55.7 -174.6 45.9 105.9 18.6 148 -2.3 156 -2.0 0 0.0 0 0.0 13 38
153 A 194 GLN Q H H X TS+ 0 0 -59.1 -35.2 179.0 56.0 109.7 32.8 149 -3.8 157 -2.1 0 0.0 0 0.0 9 40
154 A 195 LYS K H H X TS+ 0 0 -64.5 -45.0 179.1 50.5 104.7 20.8 150 -1.4 158 -2.5 0 0.0 0 0.0 8 33
155 A 196 PHE F H H X TS+ 0 0 -61.2 -37.5 178.0 52.5 110.1 24.7 151 -2.4 159 -0.7 0 0.0 0 0.0 10 39
156 A 197 ILE I H H < > TS+ 0 0 -60.3 -40.0 -174.0 46.8 110.2 17.5 152 -2.0 159 -1.1 0 0.0 163 -0.5 12 46
157 A 198 TYR Y H H < 3 TS+ 0 0 -73.5 -31.6 178.9 55.4 109.6 30.0 153 -2.1 0 0.0 0 0.0 0 0.0 9 27
158 A 199 GLU E H H < 3 TS+ 0 0 -76.1 -7.2 -177.6 66.5 99.5 56.0 154 -2.5 0 0.0 0 0.0 0 0.0 7 25
159 A 200 SER S h X < T - 0 0 -123.3 125.8 -178.5 -155.8 63.5 163.3 156 -1.1 163 -3.4 155 -0.7 0 0.0 9 36
160 A 201 ASP D H H > TS+ 0 0 -63.8 -35.7 -175.7 52.9 97.3 29.6 0 0.0 164 -2.9 0 0.0 0 0.0 8 32
161 A 202 VAL V H H > TS+ 0 0 -70.1 -48.5 176.7 40.3 115.1 13.9 0 0.0 165 -1.2 0 0.0 0 0.0 9 38
162 A 203 LEU L H H 4 > TS+ 0 0 -62.6 -45.8 -179.1 50.0 115.4 17.6 0 0.0 165 -0.7 0 0.0 0 0.0 11 45
163 A 204 TRP W H H < > TS+ 0 0 -57.6 -42.7 -174.7 58.1 106.4 21.8 159 -3.4 166 -1.8 156 -0.5 0 0.0 10 32
164 A 205 LYS K H H < 3 TS+ 0 0 -56.9 -32.5 -165.9 32.3 117.0 27.5 160 -2.9 0 0.0 0 0.0 0 0.0 6 28
165 A 206 HIS H G h < X TS+ 0 0 -113.8 16.3 -176.4 122.3 81.4 73.4 161 -1.2 168 -2.8 162 -0.7 0 0.0 10 35
166 A 207 ARG R G T X T + 0 0 -47.2 -29.9 -171.5 70.8 61.8 44.1 163 -1.8 169 -2.3 0 0.0 0 0.0 9 36
167 A 208 SER S G T 3 TS+ 0 0 -69.5 -10.2 -178.5 50.9 101.4 42.2 0 0.0 0 0.0 0 0.0 0 0.0 5 30
168 A 209 ASN N G e < TS+ 0 0 -107.2 12.0 178.9 79.2 94.5 76.6 165 -2.8 142 -1.9 0 0.0 0 0.0 9 42
169 A 210 ILE I E E Ae < T - 142 0 -118.2 132.5 177.7 -159.8 62.7 162.4 166 -2.3 171 -0.5 0 0.0 0 0.0 11 55
170 A 211 HIS H E E Ae - 143 0 -116.9 119.2 178.7 -153.8 4.5 169.5 142 -2.2 144 -2.5 0 0.0 172 -0.6 9 59
171 A 212 VAL V E E Ae - 144 0 -92.2 122.4 -174.7 -163.0 13.4 146.5 169 -0.5 173 -0.6 0 0.0 0 0.0 11 50
172 A 213 VAL V E E Ae - 145 0 -113.5 123.6 178.0 -138.8 9.1 156.5 144 -4.0 146 -2.9 170 -0.6 0 0.0 12 49
173 A 214 ASN N E E Ae - 146 0 -78.8 135.4 167.5 -153.9 3.9 123.9 171 -0.6 175 -0.7 0 0.0 0 0.0 9 39
174 A 215 GLU E e - 0 0 -103.0 113.8 -177.6 -179.2 11.8 155.0 146 -2.1 0 0.0 0 0.0 0 0.0 9 38
175 A 216 TRP W S S S+ 0 0 -88.6 -10.1 175.3 69.9 70.2 53.0 173 -0.7 177 -0.7 0 0.0 0 0.0 5 23
176 A 217 PHE F S S S- 0 0 -109.8 101.9 -178.9 -138.4 84.7 146.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
177 A 218 ALA A + 0 0 -56.3 127.0 169.2 152.5 39.3 102.0 175 -0.7 0 0.0 0 0.0 0 0.0 6 24
178 A 219 ASN N + 0 0 -153.3 71.8 -175.8 171.8 10.3 115.7 0 0.0 180 -1.6 0 0.0 0 0.0 5 33
179 A 220 ASP D + 0 0 -82.8 68.5 -177.1 158.2 10.9 123.3 0 0.0 181 -1.2 0 0.0 0 0.0 5 36
180 A 221 ILE I - 0 0 -98.3 85.8 -170.3 -173.7 20.7 134.1 178 -1.6 0 0.0 0 0.0 0 0.0 10 37
181 A 222 SER S h > T - 0 0 -83.9 153.0 175.9 -124.2 34.1 117.8 179 -1.2 185 -2.1 0 0.0 0 0.0 8 37
182 A 223 SER S H H > TS+ 0 0 -55.9 -45.8 176.6 58.8 112.9 26.6 0 0.0 186 -3.4 0 0.0 0 0.0 11 45
183 A 224 THR T H H > TS+ 0 0 -52.5 -47.7 175.2 45.8 106.9 20.3 0 0.0 187 -2.6 0 0.0 0 0.0 6 37
184 A 225 LYS K H H > TS+ 0 0 -67.0 -32.1 -178.8 51.9 111.8 28.9 0 0.0 188 -2.6 0 0.0 0 0.0 8 33
185 A 226 ILE I H H X TS+ 0 0 -67.8 -45.7 -177.2 46.0 111.4 11.3 181 -2.1 189 -2.7 0 0.0 0 0.0 11 48
186 A 227 ARG R H H X TS+ 0 0 -61.7 -45.1 177.7 51.8 112.4 18.5 182 -3.4 190 -2.7 0 0.0 0 0.0 11 42
187 A 228 ARG R H H X TS+ 0 0 -54.4 -45.6 -177.4 47.2 111.2 19.2 183 -2.6 191 -0.9 0 0.0 0 0.0 8 29
188 A 229 ALA A H H < >>TS+ 0 0 -63.6 -40.8 -172.7 53.0 111.1 23.6 184 -2.6 193 -2.5 0 0.0 191 -0.7 11 33
189 A 230 LEU L H H < >5TS+ 0 0 -65.9 -49.5 175.3 52.1 104.1 19.1 185 -2.7 192 -2.4 0 0.0 0 0.0 12 39
190 A 231 ARG R H H < 35TS+ 0 0 -64.1 -6.6 166.7 53.8 109.2 48.9 186 -2.7 0 0.0 0 0.0 0 0.0 11 26
191 A 232 ARG R T h < <5TS- 0 0 -101.1 9.6 177.1 -113.8 117.2 75.6 187 -0.9 0 0.0 188 -0.7 0 0.0 7 20
192 A 233 GLY G T T <5T + 0 0 72.6 20.1 -176.1 148.9 65.6 42.8 189 -2.4 0 0.0 0 0.0 0 0.0 7 23
193 A 234 GLN Q t > T + 0 0 -125.8 4.9 170.3 139.8 34.4 77.8 0 0.0 198 -2.0 0 0.0 199 -0.6 10 41
196 A 237 ARG R B B 4 a 3 T + 199 0 -43.7 129.3 165.8 19.4 69.4 109.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
197 A 238 TYR Y T T 4 3 TS+ 0 0 84.4 8.7 163.1 80.3 108.3 68.8 199 -0.8 0 0.0 0 0.0 0 0.0 6 30
198 A 239 LEU L T T 4 < TS+ 0 0 -104.8 -14.0 177.0 24.0 103.7 60.3 195 -2.0 18 -2.7 0 0.0 0 0.0 9 41
199 A 240 VAL V B B < a TS- 196 0 -140.6 158.9 177.7 -72.7 107.4 165.0 195 -0.6 197 -0.8 0 0.0 0 0.0 12 46
200 A 241 PRO P h > T - 0 0 -57.2 142.2 -174.9 -115.4 44.8 96.0 0 0.0 204 -2.8 0 0.0 0 0.0 11 40
201 A 242 ASP D H H > TS+ 0 0 -47.4 -45.8 -176.8 49.8 116.0 22.8 0 0.0 205 -2.2 0 0.0 0 0.0 8 30
202 A 243 LEU L H H > TS+ 0 0 -68.4 -34.8 175.0 50.8 108.6 29.4 0 0.0 206 -2.3 0 0.0 0 0.0 8 36
203 A 244 VAL V H H > TS+ 0 0 -65.6 -40.0 173.2 50.6 110.8 23.1 0 0.0 207 -2.4 0 0.0 0 0.0 12 45
204 A 245 GLN Q H H X TS+ 0 0 -62.8 -39.8 175.6 50.6 109.6 25.2 200 -2.8 208 -2.2 0 0.0 0 0.0 11 44
205 A 246 GLU E H H X TS+ 0 0 -64.3 -40.1 179.6 49.3 110.0 17.7 201 -2.2 209 -2.7 0 0.0 0 0.0 8 34
206 A 247 TYR Y H H X TS+ 0 0 -65.2 -45.2 -178.5 49.7 110.8 25.1 202 -2.3 210 -2.0 0 0.0 0 0.0 9 39
207 A 248 ILE I H H < >TS+ 0 0 -62.8 -40.0 -176.9 48.2 113.1 22.8 203 -2.4 212 -1.7 0 0.0 0 0.0 10 50
208 A 249 GLU E H H < >5TS+ 0 0 -70.6 -40.5 -177.3 47.6 110.5 25.7 204 -2.2 211 -0.7 0 0.0 0 0.0 8 35
209 A 250 LYS K H H < 35TS+ 0 0 -70.9 -31.8 175.3 42.7 117.7 29.3 205 -2.7 0 0.0 0 0.0 0 0.0 6 22
210 A 251 HIS H T h < 35TS- 0 0 -89.8 5.0 179.6 -130.5 103.9 67.5 206 -2.0 0 0.0 0 0.0 0 0.0 6 25
211 A 252 ASN N T T X5T + 0 0 48.3 41.5 -180.0 179.9 41.4 32.4 208 -0.7 214 -0.9 0 0.0 0 0.0 7 33
212 A 253 LEU L T T 333<>33< >>><<< >33< >33< >33< >33<>3><3< >33< >33< >3 3-turns
bridge-2 bbbb ccc bridge-2
bridge-1 aaaaaaaaa aaa*aaaaaa ccc bridge-1
sheets AAAAAAAAA AAAAAAAAAA AAA sheets
4-turns >>>>XXXXXXXXXX<<<< >>>>XXXXXX<<<< >>44<< >>>>XXXXXXX 4-turns
summary EEEEEEEEE tTTthHHHHHHHHHHHHHHHHhteEEEEEEEEEEetTTt tTTt hHHHHHHHHHHHHhTtSeEEEehHHHHhSS hHHHHHHHHHH summary
sequence EKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHT EEEEEE HHHHHHHHSTTTS HHHHHHHHHHT EEEEES HHHHHHHHHH HHHHHGGGGEEEEE SS HHHHHHHHHTT BTTB Kabs/Sand
chirality ++++ -----+--++++++++-+++--++++++++++-----+-++++++++++++-+++++++++------+-+++--+++++++++-+-+++++-- chirality
bends SSSS SSSSSSSSSSSSS SSSSSSSSSSS S SSSSSSSSSS SSSSSS SS SS SSSSSSSSSS SSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTT turns
5-turns >>555<< >5555< 5-turns
3-turns 3X33< >>3><33< >33< >33< >>3XX3<< >>3<< >33< 3-turns
bridge-2 ddd eeeee bridge-2
bridge-1 bbbb ddd eeeee a a bridge-1
sheets AAAAAA AAAAA AAAAA sheets
4-turns <<<< >>>>XX<<>>>XXXX<<<< >>>>XXXX<<>4<<< >>>>XXX<<<< >444<> 4-turns
summary HHHht EEEEEEhHHHHHHHHhTTTthHHHHHHHHHHheEEEEEShHHHHHHHHHHhHHHHHhTTeEEEEEeSS hHHHHHHHHHhTt tBTTBh summary
sequence KLEASDVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWFANDISSTKIRRALRRGQSIRYLVP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHTTTT Kabs/Sand
chirality +++++++++-++++ chirality
bends SSSSSSSSSS S bends
turns TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33X33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>XXX<<<< 4-turns
summary HHHHHHHHHhTTTt summary
sequence DLVQEYIEKHNLYSSE sequence
210
Messages
chain break between 106(A 110 ) and 107(A 148 )