Secondary structure calculation program - copyright by David Keith Smith, 1989
1a8q-.pdb
1A8Q HALOPEROXIDASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 274
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 PRO P e 0 0 999.9 166.8 -175.6 999.9 999.9 999.9 0 0.0 13 -2.5 0 0.0 0 0.0 6 30
2 2 ILE I E E AA - 12 0 -121.7 135.8 170.9 -162.9 999.9 173.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
3 3 CYS C E E AA - 11 0 -110.5 127.9 179.1 -143.9 18.0 165.2 11 -2.8 11 -3.3 0 0.0 5 -0.6 11 39
4 4 THR T E E AA - 10 0 -95.5 126.3 -174.6 -141.3 19.7 148.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
5 5 THR T e > T - 0 0 -78.6 177.1 176.1 -94.7 29.8 104.3 9 -2.8 8 -2.3 3 -0.6 0 0.0 11 38
6 6 ARG R T T 3 TS+ 0 0 -60.3 -24.0 179.5 50.7 127.2 44.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25
7 7 ASP D T T 3 TS- 0 0 -96.3 0.9 178.8 -101.8 122.7 73.3 0 0.0 0 0.0 0 0.0 0 0.0 5 30
8 8 GLY G S t < TS+ 0 0 89.2 11.9 -179.7 144.5 73.8 56.8 5 -2.3 0 0.0 0 0.0 0 0.0 6 27
9 9 VAL V e - 0 0 -83.4 142.7 178.6 -131.5 47.8 126.5 0 0.0 5 -2.8 0 0.0 11 -0.7 11 38
10 10 GLU E E E AA - 4 0 -99.3 118.6 179.5 -165.0 18.8 148.1 0 0.0 61 -2.3 0 0.0 12 -0.6 11 37
11 11 ILE I E E AA - 3 0 -102.2 118.9 -178.9 -147.4 11.1 152.8 3 -3.3 3 -2.8 9 -0.7 0 0.0 16 52
12 12 PHE F E E AA + 2 0 -81.9 145.2 176.0 170.0 25.6 130.6 10 -0.6 53 -2.5 0 0.0 0 0.0 12 46
13 13 TYR Y E E AB - 52 0 -153.7 156.5 171.2 -130.4 33.2 171.5 1 -2.5 0 0.0 0 0.0 0 0.0 12 49
14 14 LYS K E E AB - 51 0 -99.5 139.5 -177.1 -172.0 21.3 147.1 51 -2.3 51 -2.0 0 0.0 0 0.0 10 45
15 15 ASP D E E AB + 50 0 -140.2 102.5 -171.7 175.3 11.7 155.5 0 0.0 0 0.0 0 0.0 0 0.0 9 45
16 16 TRP W E E AB - 49 0 -114.2 140.6 171.1 -10.3 36.7 158.9 49 -3.0 49 -2.5 0 0.0 0 0.0 9 36
17 17 GLY G - 0 0 82.5 -178.2 179.6 -85.0 69.0 96.4 0 0.0 0 0.0 0 0.0 0 0.0 9 29
18 18 GLN Q S S S+ 0 0 -135.0 147.9 -178.4 64.3 73.6 161.3 0 0.0 0 0.0 0 0.0 0 0.0 9 27
19 19 GLY G S S S- 0 0 130.5 -172.4 -175.6 -12.6 92.3 147.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
20 20 ARG R S e S- 0 0 -66.7 140.1 -176.4 -106.9 82.0 122.9 0 0.0 48 -1.9 0 0.0 0 0.0 10 41
21 21 PRO P E E Ac - 48 0 -79.4 138.1 176.0 -172.1 30.4 114.2 0 0.0 89 -2.3 0 0.0 0 0.0 14 54
22 22 VAL V E E Acd - 49 89 -122.7 114.1 -174.2 -162.5 12.9 171.9 48 -3.0 50 -2.7 0 0.0 24 -0.5 13 64
23 23 VAL V E E Acd - 50 90 -109.8 123.8 -174.5 -151.8 5.1 156.1 89 -2.5 91 -2.7 0 0.0 0 0.0 11 78
24 24 PHE F E E Acd - 51 91 -102.5 136.2 -172.5 -160.5 4.3 141.7 50 -3.1 52 -0.9 22 -0.5 26 -0.5 13 77
25 25 ILE I E E A d - 0 92 -124.2 108.6 -170.0 -144.7 17.4 160.7 91 -2.9 93 -2.5 0 0.0 0 0.0 15 69
26 26 HIS H - 0 0 -78.3 168.3 -179.5 -125.0 6.3 104.4 24 -0.5 0 0.0 0 0.0 0 0.0 18 72
27 27 GLY G t > T - 0 0 -100.7 -175.7 179.0 -38.3 46.1 107.9 0 0.0 30 -1.6 0 0.0 0 0.0 11 76
28 28 TRP W T T 3 TS+ 0 0 -87.4 147.6 -9.8 2.0 115.0 132.5 0 0.0 0 0.0 0 0.0 0 0.0 10 74
29 29 PRO P T T 3 TS+ 0 0 -102.5 47.4 -168.6 74.3 114.8 128.2 0 0.0 0 0.0 0 0.0 0 0.0 9 74
30 30 LEU L t < T - 0 0 -100.6 -148.2 -177.6 -137.8 59.0 76.7 27 -1.6 0 0.0 0 0.0 0 0.0 14 66
31 31 ASN N g > T - 0 0 -163.0 -174.7 -175.3 -61.3 48.6 151.2 0 0.0 34 -2.1 0 0.0 0 0.0 15 60
32 32 GLY G G G > TS+ 0 0 -61.5 -17.2 173.0 75.7 118.4 46.5 0 0.0 35 -2.1 0 0.0 0 0.0 15 58
33 33 ASP D G G > TS+ 0 0 -64.1 -16.1 175.5 75.1 79.4 43.4 0 0.0 36 -1.3 0 0.0 0 0.0 8 54
34 34 ALA A G G < TS+ 0 0 -68.3 -3.9 -177.9 47.6 97.8 58.6 31 -2.1 0 0.0 0 0.0 0 0.0 10 64
35 35 TRP W G h > < TS+ 0 0 -120.1 9.1 -173.6 111.8 71.1 79.0 32 -2.1 39 -2.8 0 0.0 0 0.0 12 60
36 36 GLN Q H H > < TS+ 0 0 -57.9 -37.3 179.9 53.0 79.7 30.1 33 -1.3 40 -2.1 0 0.0 0 0.0 8 49
37 37 ASP D H H > TS+ 0 0 -59.7 -45.2 -178.5 41.5 114.6 25.0 0 0.0 41 -1.9 0 0.0 0 0.0 10 48
38 38 GLN Q H H > TS+ 0 0 -72.0 -33.8 176.4 58.0 109.6 33.2 0 0.0 42 -2.6 0 0.0 0 0.0 9 58
39 39 LEU L H H X TS+ 0 0 -61.2 -44.2 178.4 44.2 110.1 17.4 35 -2.8 43 -2.2 0 0.0 0 0.0 12 51
40 40 LYS K H H X TS+ 0 0 -65.0 -46.8 -177.9 54.1 111.8 23.1 36 -2.1 44 -2.8 0 0.0 0 0.0 9 38
41 41 ALA A H H X TS+ 0 0 -55.5 -50.0 -177.8 41.8 112.5 25.1 37 -1.9 45 -1.0 0 0.0 0 0.0 9 45
42 42 VAL V H H < >TS+ 0 0 -70.4 -33.8 -178.8 50.2 114.2 27.0 38 -2.6 47 -2.3 0 0.0 0 0.0 13 46
43 43 VAL V H H < >5TS+ 0 0 -72.7 -32.0 177.6 53.6 108.1 19.3 39 -2.2 46 -1.9 0 0.0 0 0.0 13 36
44 44 ASP D H H < 35TS+ 0 0 -69.7 -21.8 177.0 53.7 107.1 38.2 40 -2.8 0 0.0 0 0.0 0 0.0 7 29
45 45 ALA A T h < 35TS- 0 0 -91.8 5.0 174.9 -92.1 131.6 69.9 41 -1.0 0 0.0 0 0.0 0 0.0 7 29
46 46 GLY G T T <5TS+ 0 0 94.6 23.4 175.3 118.9 85.4 53.8 43 -1.9 0 0.0 0 0.0 0 0.0 10 30
47 47 TYR Y t T - 0 0 -59.5 150.7 177.3 -77.3 47.4 102.9 52 -0.5 57 -1.9 0 0.0 0 0.0 11 77
55 55 ARG R T T 3 TS+ 0 0 -47.4 139.0 -179.6 20.3 123.5 97.7 0 0.0 0 0.0 0 0.0 0 0.0 13 63
56 56 GLY G T T 3 TS+ 0 0 73.4 12.6 179.7 93.6 110.6 47.8 61 -2.0 188 -2.3 0 0.0 0 0.0 14 53
57 57 HIS H S t X TS- 0 0 -134.3 156.8 174.3 -17.3 86.8 158.7 54 -1.9 60 -2.4 0 0.0 0 0.0 17 54
58 58 GLY G T T 3 TS- 0 0 54.6 -125.5 -178.6 -22.6 126.4 104.8 0 0.0 0 0.0 0 0.0 0 0.0 13 47
59 59 HIS H T T 3 TS+ 0 0 -106.0 14.7 175.2 110.9 107.2 79.3 0 0.0 0 0.0 0 0.0 0 0.0 9 37
60 60 SER S S t < TS- 0 0 -82.8 167.2 -177.9 -65.5 87.8 114.4 57 -2.4 0 0.0 0 0.0 0 0.0 13 48
61 61 THR T - 0 0 -52.1 134.8 176.6 -124.3 46.3 101.6 10 -2.3 63 -2.3 0 0.0 56 -2.0 10 38
62 62 PRO P - 0 0 -79.4 74.5 -176.3 -177.2 47.6 117.1 0 0.0 0 0.0 0 0.0 0 0.0 9 40
63 63 VAL V - 0 0 -76.5 159.2 173.9 -150.0 33.3 109.4 61 -2.3 0 0.0 0 0.0 0 0.0 9 36
64 64 TRP W S S S+ 0 0 -89.3 -39.7 -166.1 40.1 75.6 34.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
65 65 ASP D S S S+ 0 0 -114.3 176.5 176.1 57.3 80.3 123.1 0 0.0 0 0.0 0 0.0 0 0.0 4 34
66 66 GLY G + 0 0 81.8 23.2 177.0 149.6 48.7 45.8 0 0.0 68 -1.8 0 0.0 0 0.0 7 41
67 67 TYR Y + 0 0 -88.4 69.2 -179.7 101.9 43.6 120.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
68 68 ASP D S h > TS- 0 0 -146.3 157.9 -174.5 -109.5 83.1 167.1 66 -1.8 72 -2.4 0 0.0 0 0.0 9 44
69 69 PHE F H H > TS+ 0 0 -66.2 -32.9 177.1 57.4 113.1 41.2 0 0.0 73 -2.5 0 0.0 0 0.0 10 55
70 70 ASP D H H > TS+ 0 0 -61.4 -42.4 178.3 43.7 111.6 20.3 0 0.0 74 -1.9 0 0.0 0 0.0 10 43
71 71 THR T H H > TS+ 0 0 -67.9 -44.5 178.2 50.8 113.3 21.2 0 0.0 75 -2.3 0 0.0 0 0.0 9 47
72 72 PHE F H H X TS+ 0 0 -57.5 -42.9 179.2 48.3 111.9 24.5 68 -2.4 76 -2.2 0 0.0 0 0.0 13 66
73 73 ALA A H H X TS+ 0 0 -65.7 -35.6 -179.2 48.9 111.4 29.9 69 -2.5 77 -2.6 0 0.0 0 0.0 13 55
74 74 ASP D H H X TS+ 0 0 -72.6 -36.3 174.4 52.8 109.1 31.6 70 -1.9 78 -2.1 0 0.0 0 0.0 9 45
75 75 ASP D H H X TS+ 0 0 -62.5 -41.4 176.4 48.7 110.1 20.7 71 -2.3 79 -1.8 0 0.0 0 0.0 11 55
76 76 LEU L H H X TS+ 0 0 -62.5 -41.7 176.6 53.2 109.4 21.7 72 -2.2 80 -2.6 0 0.0 0 0.0 10 72
77 77 ASN N H H X TS+ 0 0 -59.1 -40.5 179.8 52.4 106.4 25.2 73 -2.6 81 -2.5 0 0.0 0 0.0 10 54
78 78 ASP D H H X TS+ 0 0 -64.0 -37.9 -179.3 48.4 110.1 24.9 74 -2.1 82 -2.7 0 0.0 0 0.0 12 46
79 79 LEU L H H X TS+ 0 0 -68.9 -44.0 -180.0 45.7 113.5 21.1 75 -1.8 83 -1.9 0 0.0 0 0.0 10 53
80 80 LEU L H H < >TS+ 0 0 -67.6 -35.2 178.6 45.6 117.1 27.2 76 -2.6 85 -2.4 0 0.0 0 0.0 9 55
81 81 THR T H H < >5TS+ 0 0 -73.5 -42.7 179.4 52.3 109.9 24.1 77 -2.5 84 -0.7 0 0.0 0 0.0 8 32
82 82 ASP D H H < 35TS+ 0 0 -59.8 -42.9 179.2 37.5 118.4 28.5 78 -2.7 0 0.0 0 0.0 0 0.0 7 32
83 83 LEU L T h < 35TS- 0 0 -84.9 -4.6 -177.5 -133.9 106.0 62.5 79 -1.9 0 0.0 0 0.0 0 0.0 6 38
84 84 ASP D T T <5T - 0 0 46.7 56.6 -177.7 -175.1 36.2 23.8 81 -0.7 0 0.0 0 0.0 0 0.0 6 29
85 85 LEU L t T - 0 118 -117.4 141.4 171.5 -40.4 58.3 162.6 25 -2.5 96 -2.1 0 0.0 0 0.0 13 73
94 94 SER S T e > TS+ 0 0 55.0 -126.2 177.2 4.9 133.8 96.0 118 -1.9 97 -2.1 0 0.0 121 -1.3 16 69
95 95 MET M T h > > TS+ 0 0 -65.6 -15.8 170.3 76.0 120.7 39.5 0 0.0 98 -1.3 0 0.0 99 -1.1 13 75
96 96 GLY G H H > < TS+ 0 0 -57.4 -28.5 175.9 67.8 83.3 33.9 93 -2.1 100 -2.2 0 0.0 0 0.0 13 76
97 97 GLY G H H > < TS+ 0 0 -64.2 -28.7 173.6 53.2 96.0 32.7 94 -2.1 101 -2.7 0 0.0 0 0.0 15 75
98 98 GLY G H H > < TS+ 0 0 -72.9 -37.7 173.6 50.8 107.1 34.0 95 -1.3 102 -2.4 0 0.0 0 0.0 14 69
99 99 GLU E H H X TS+ 0 0 -60.0 -41.5 179.6 46.8 113.1 22.1 95 -1.1 103 -2.0 0 0.0 0 0.0 14 71
100 100 LEU L H H X TS+ 0 0 -66.0 -48.7 -179.6 46.5 114.4 13.9 96 -2.2 104 -2.0 0 0.0 0 0.0 12 78
101 101 ALA A H H X TS+ 0 0 -62.2 -45.4 -178.2 46.7 113.9 26.1 97 -2.7 105 -2.5 0 0.0 0 0.0 12 74
102 102 ARG R H H X TS+ 0 0 -71.1 -29.2 170.6 57.7 107.7 29.3 98 -2.4 106 -2.3 0 0.0 0 0.0 13 56
103 103 TYR Y H H X >TS+ 0 0 -60.0 -45.1 177.9 45.3 109.4 18.5 99 -2.0 107 -2.9 0 0.0 108 -0.6 14 58
104 104 VAL V H H X 5TS+ 0 0 -62.6 -43.2 -176.8 49.8 114.2 21.7 100 -2.0 108 -1.7 0 0.0 0 0.0 12 57
105 105 GLY G H H < 5TS+ 0 0 -63.4 -39.1 -173.4 30.3 122.6 30.0 101 -2.5 0 0.0 0 0.0 0 0.0 11 40
106 106 ARG R H H < 5TS+ 0 0 -91.0 -40.0 -172.3 22.1 134.9 38.0 102 -2.3 0 0.0 0 0.0 0 0.0 8 35
107 107 HIS H H H < 5TS- 0 0 -111.2 -11.0 179.1 -137.6 96.1 60.6 103 -2.9 0 0.0 0 0.0 0 0.0 7 39
108 108 GLY G h < TS+ 0 0 -111.5 20.3 -177.0 116.6 84.8 75.2 0 0.0 112 -1.9 0 0.0 0 0.0 10 43
110 110 GLY G T T 3 TS+ 0 0 -61.1 -32.8 179.3 39.4 85.1 34.6 0 0.0 0 0.0 0 0.0 0 0.0 4 28
111 111 ARG R T e 3 TS+ 0 0 -92.5 0.4 -169.9 93.1 104.9 64.6 0 0.0 88 -2.7 0 0.0 0 0.0 8 39
112 112 LEU L E E Ae < T + 88 0 -109.3 145.6 172.5 176.9 40.8 140.8 109 -1.9 0 0.0 0 0.0 0 0.0 12 47
113 113 ARG R E E A* S- 0 0 -98.1 -47.2 -172.9 -25.0 73.3 37.6 88 -3.1 0 0.0 0 0.0 0 0.0 10 41
114 114 SER S E E Ae - 89 0 -161.9 173.8 -175.5 -134.5 55.0 161.2 88 -1.4 90 -1.6 0 0.0 0 0.0 11 53
115 115 ALA A E E Aef - 90 215 -146.2 149.1 179.1 -156.8 2.4 167.1 214 -1.8 216 -2.4 0 0.0 0 0.0 12 69
116 116 VAL V E E Aef - 91 216 -129.0 130.5 179.3 -163.4 4.4 172.7 90 -2.4 92 -2.7 0 0.0 118 -0.6 12 74
117 117 LEU L E E Aef - 92 217 -115.2 106.0 179.7 -170.0 10.4 158.4 216 -2.8 218 -2.6 0 0.0 119 -0.6 14 76
118 118 LEU L E E Aef S- 93 218 -101.7 117.7 177.3 -29.5 71.4 152.3 92 -3.2 94 -1.9 116 -0.6 0 0.0 12 79
119 119 SER S S e S+ 0 0 48.0 50.1 -168.7 174.2 98.9 28.8 218 -2.8 0 0.0 117 -0.6 0 0.0 15 74
120 120 ALA A - 0 0 -100.5 155.7 -177.3 -124.9 42.8 124.3 0 0.0 0 0.0 0 0.0 0 0.0 16 80
121 121 ILE I + 0 0 -69.8 -26.3 -177.6 144.8 55.4 50.1 94 -1.3 0 0.0 0 0.0 0 0.0 14 70
122 122 PRO P + 0 0 -61.0 150.0 3.6 25.9 55.1 104.6 0 0.0 0 0.0 0 0.0 0 0.0 15 69
123 123 PRO P S S S- 0 0 -82.7 -40.0 179.5 -50.5 123.6 150.9 0 0.0 204 -3.5 0 0.0 0 0.0 12 63
124 124 VAL V - 0 0 -157.4 137.2 -178.4 -158.6 35.6 161.5 230 -0.6 0 0.0 0 0.0 0 0.0 14 59
125 125 MET M + 0 0 -87.1 -36.5 -171.7 100.3 58.3 29.7 0 0.0 135 -3.0 0 0.0 0 0.0 16 52
126 126 ILE I B B a S- 135 0 -62.6 132.8 175.3 -122.4 71.4 103.0 200 -1.2 0 0.0 0 0.0 0 0.0 11 44
127 127 LYS K + 0 0 -67.9 142.1 174.4 146.3 46.4 118.0 135 -2.6 0 0.0 0 0.0 0 0.0 12 34
128 128 SER S - 0 0 -157.4 -177.9 175.4 -84.3 65.8 160.9 131 -1.3 0 0.0 0 0.0 0 0.0 8 24
129 129 ASP D S S S+ 0 0 -65.5 -27.6 177.3 48.1 132.3 34.6 0 0.0 0 0.0 0 0.0 0 0.0 5 14
130 130 LYS K S S S+ 0 0 -80.6 -20.7 -178.6 34.4 122.5 43.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
131 131 ASN N t > T + 0 0 -134.9 72.6 -171.7 165.4 67.4 131.0 0 0.0 134 -1.9 0 0.0 128 -1.3 9 32
132 132 PRO P T T 3 TS+ 0 0 -70.7 -16.5 177.3 57.6 74.3 40.4 0 0.0 0 0.0 0 0.0 0 0.0 7 22
133 133 ASP D T T 3 TS+ 0 0 -93.6 10.5 -176.7 104.5 88.9 72.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
134 134 GLY G S t < TS- 0 0 -84.2 -171.8 -176.8 -78.2 82.2 91.7 131 -1.9 0 0.0 0 0.0 0 0.0 13 38
135 135 VAL V B B a - 126 0 -92.7 131.1 179.7 -118.6 46.1 138.9 125 -3.0 127 -2.6 0 0.0 0 0.0 10 41
136 136 PRO P h > > T - 0 0 -65.1 152.3 178.9 -116.5 21.4 107.6 0 0.0 139 -1.7 0 0.0 140 -0.9 9 33
137 137 ASP D H H > 3 TS+ 0 0 -56.6 -36.0 -177.6 67.5 111.0 35.8 0 0.0 141 -2.4 0 0.0 0 0.0 8 30
138 138 GLU E H H > 3 TS+ 0 0 -57.1 -32.5 178.9 57.2 95.0 38.3 0 0.0 142 -2.0 0 0.0 0 0.0 6 21
139 139 VAL V H H > < TS+ 0 0 -64.7 -45.6 -179.0 45.3 108.1 21.5 136 -1.7 143 -2.3 0 0.0 0 0.0 8 34
140 140 PHE F H H X TS+ 0 0 -66.5 -38.8 176.3 53.5 111.3 24.5 136 -0.9 144 -2.3 0 0.0 0 0.0 11 40
141 141 ASP D H H X TS+ 0 0 -57.6 -45.8 -178.2 50.0 108.9 23.7 137 -2.4 145 -2.5 0 0.0 0 0.0 8 29
142 142 ALA A H H X TS+ 0 0 -62.9 -40.3 176.5 52.4 108.1 30.1 138 -2.0 146 -2.2 0 0.0 0 0.0 8 31
143 143 LEU L H H X TS+ 0 0 -61.6 -44.4 -177.3 45.1 112.3 21.9 139 -2.3 147 -1.9 0 0.0 0 0.0 10 48
144 144 LYS K H H X TS+ 0 0 -67.7 -39.5 178.7 50.0 113.1 23.8 140 -2.3 148 -2.0 0 0.0 0 0.0 11 38
145 145 ASN N H H X TS+ 0 0 -66.5 -31.6 179.0 54.5 108.3 33.3 141 -2.5 149 -1.8 0 0.0 0 0.0 8 29
146 146 GLY G H H X TS+ 0 0 -66.5 -45.9 -178.8 47.5 108.5 25.9 142 -2.2 150 -1.9 0 0.0 0 0.0 10 35
147 147 VAL V H H X TS+ 0 0 -62.1 -40.0 -178.5 45.2 116.0 28.6 143 -1.9 151 -0.7 0 0.0 0 0.0 13 38
148 148 LEU L H H < TS+ 0 0 -77.6 -22.1 -179.9 53.3 110.6 41.1 144 -2.0 0 0.0 0 0.0 0 0.0 9 31
149 149 THR T H H < TS- 0 0 -76.9 -52.4 177.5 -30.5 139.1 17.0 145 -1.8 0 0.0 0 0.0 0 0.0 6 21
150 150 GLU E H H X T - 0 0 -167.3 93.4 -174.8 -167.3 59.9 125.0 146 -1.9 154 -2.1 0 0.0 0 0.0 8 25
151 151 ARG R H H X TS+ 0 0 -59.4 -36.5 -176.4 58.5 82.9 40.0 147 -0.7 155 -2.0 0 0.0 0 0.0 10 36
152 152 SER S H H > TS+ 0 0 -62.3 -50.9 176.2 38.0 112.7 13.7 0 0.0 156 -1.5 0 0.0 0 0.0 9 34
153 153 GLN Q H H > TS+ 0 0 -63.0 -36.7 -178.1 62.1 112.2 28.5 0 0.0 157 -2.5 0 0.0 0 0.0 7 31
154 154 PHE F H H X TS+ 0 0 -60.5 -37.5 178.8 49.5 102.0 30.0 150 -2.1 158 -2.6 0 0.0 0 0.0 10 41
155 155 TRP W H H X TS+ 0 0 -68.4 -39.9 177.4 51.7 109.8 27.1 151 -2.0 159 -1.8 0 0.0 0 0.0 11 49
156 156 LYS K H H X TS+ 0 0 -59.8 -42.2 -179.7 42.8 114.6 19.6 152 -1.5 160 -0.6 0 0.0 0 0.0 12 36
157 157 ASP D H H X > TS+ 0 0 -71.7 -36.7 -179.3 52.8 112.6 28.0 153 -2.5 160 -0.8 0 0.0 161 -0.6 8 37
158 158 THR T H H X 3 TS+ 0 0 -68.8 -28.8 179.8 71.2 93.8 39.8 154 -2.6 162 -2.3 0 0.0 0 0.0 8 51
159 159 ALA A H H X 3 TS+ 0 0 -59.4 -30.6 179.4 62.5 90.3 35.3 155 -1.8 163 -1.9 0 0.0 0 0.0 12 50
160 160 GLU E H H < <>TS+ 0 0 -59.3 -50.1 177.9 35.7 110.9 17.3 157 -0.8 165 -2.6 156 -0.6 0 0.0 11 41
161 161 GLY G H H < >5TS+ 0 0 -69.7 -38.3 -175.1 61.7 111.6 33.4 157 -0.6 164 -0.8 0 0.0 224 -0.5 11 49
162 162 PHE F H H < 35TS+ 0 0 -58.1 -38.2 -177.1 29.5 117.5 27.8 158 -2.3 252 -0.8 0 0.0 253 -0.7 13 61
163 163 PHE F T h < 35TS- 0 0 -104.6 9.9 -176.2 -120.8 105.3 70.3 159 -1.9 0 0.0 0 0.0 0 0.0 12 58
164 164 SER S T T X5T + 0 0 48.1 47.9 -174.3 163.2 52.8 27.2 161 -0.8 167 -1.8 0 0.0 0 0.0 14 46
165 165 ALA A T T 3 > T - 0 0 -97.0 167.8 174.5 -117.8 24.4 125.3 0 0.0 177 -1.3 0 0.0 176 -0.5 6 33
174 174 GLN Q H H > 3 TS+ 0 0 -67.0 -35.6 175.7 62.2 118.5 27.2 0 0.0 178 -2.6 0 0.0 0 0.0 6 29
175 175 GLY G H H > 3 TS+ 0 0 -53.1 -41.3 -179.6 55.5 97.1 31.8 0 0.0 179 -2.5 0 0.0 0 0.0 6 25
176 176 ASN N H H > < TS+ 0 0 -59.2 -44.7 -177.7 45.4 110.7 22.4 173 -0.5 180 -1.8 0 0.0 0 0.0 10 43
177 177 LYS K H H X TS+ 0 0 -66.6 -41.1 178.4 49.8 112.8 29.6 173 -1.3 181 -2.2 0 0.0 0 0.0 12 42
178 178 ASP D H H X TS+ 0 0 -65.8 -37.1 178.4 50.0 110.6 27.9 174 -2.6 182 -2.4 0 0.0 0 0.0 9 34
179 179 ALA A H H X TS+ 0 0 -68.7 -34.9 174.4 55.2 106.9 29.9 175 -2.5 183 -2.4 0 0.0 0 0.0 8 42
180 180 PHE F H H X TS+ 0 0 -56.7 -52.9 178.7 45.3 110.9 18.4 176 -1.8 184 -2.4 0 0.0 0 0.0 12 50
181 181 TRP W H H X TS+ 0 0 -58.1 -46.0 -178.6 53.6 111.0 24.5 177 -2.2 185 -2.0 0 0.0 0 0.0 12 44
182 182 TYR Y H H < TS+ 0 0 -58.4 -44.8 177.0 43.7 112.1 25.3 178 -2.4 0 0.0 0 0.0 0 0.0 8 34
183 183 MET M H H < > TS+ 0 0 -66.2 -41.6 -176.4 53.5 112.2 25.5 179 -2.4 186 -1.2 0 0.0 0 0.0 13 48
184 184 ALA A H H < > TS+ 0 0 -67.4 -24.5 -178.3 67.6 95.5 36.1 180 -2.4 187 -2.2 0 0.0 0 0.0 12 52
185 185 MET M T h < 3 TS+ 0 0 -71.5 -13.8 178.4 59.8 94.5 44.5 181 -2.0 0 0.0 0 0.0 0 0.0 8 43
186 186 ALA A T T < TS+ 0 0 -89.1 -2.7 -179.7 97.0 85.6 57.0 183 -1.2 0 0.0 0 0.0 0 0.0 9 44
187 187 GLN Q S t < TS- 0 0 -87.0 144.7 176.4 -113.5 81.4 133.6 184 -2.2 0 0.0 0 0.0 0 0.0 14 52
188 188 THR T h > T - 0 0 -66.5 156.6 178.6 -123.3 21.8 104.6 56 -2.3 192 -2.2 0 0.0 0 0.0 11 42
189 189 ILE I H H > TS+ 0 0 -69.9 -29.0 -179.3 52.7 113.2 21.0 0 0.0 193 -2.1 0 0.0 0 0.0 9 43
190 190 GLU E H H > TS+ 0 0 -73.8 -37.2 176.7 48.8 108.7 28.3 0 0.0 194 -2.9 0 0.0 0 0.0 7 39
191 191 GLY G H H > TS+ 0 0 -67.4 -35.1 176.6 59.3 106.9 28.3 0 0.0 195 -2.0 0 0.0 0 0.0 12 52
192 192 GLY G H H X TS+ 0 0 -53.3 -54.4 -179.2 29.1 117.4 14.2 188 -2.2 196 -0.7 0 0.0 0 0.0 13 56
193 193 VAL V H H X > TS+ 0 0 -80.2 -38.9 -175.8 52.4 118.7 20.9 189 -2.1 197 -1.3 0 0.0 196 -0.7 12 48
194 194 ARG R H H X 3 TS+ 0 0 -71.0 -31.2 177.4 59.3 103.1 33.3 190 -2.9 198 -2.1 0 0.0 0 0.0 10 44
195 195 CYS C H H X 3 TS+ 0 0 -65.0 -31.9 177.7 57.3 100.4 32.5 191 -2.0 199 -3.4 0 0.0 0 0.0 11 58
196 196 VAL V H H X < TS+ 0 0 -59.6 -48.5 177.5 47.3 107.1 20.5 193 -0.7 200 -2.6 192 -0.7 0 0.0 11 56
197 197 ASP D H H X TS+ 0 0 -57.4 -44.5 -178.5 46.8 115.7 26.6 193 -1.3 201 -1.3 0 0.0 0 0.0 9 43
198 198 ALA A H H X TS+ 0 0 -67.2 -49.1 -171.9 38.6 117.6 21.4 194 -2.1 202 -1.4 0 0.0 0 0.0 11 51
199 199 PHE F H H < TS+ 0 0 -77.3 -20.9 -176.3 52.5 115.3 38.0 195 -3.4 0 0.0 0 0.0 0 0.0 11 61
200 200 GLY G H H < TS+ 0 0 -76.4 -35.7 -162.8 23.5 122.5 35.6 196 -2.6 126 -1.2 0 0.0 0 0.0 11 53
201 201 TYR Y H H < TS+ 0 0 -116.2 -10.4 -175.5 106.4 88.1 60.4 197 -1.3 0 0.0 0 0.0 0 0.0 9 46
202 202 THR T h < T - 0 0 -80.4 135.5 -179.9 -146.6 55.5 127.2 198 -1.4 204 -0.6 0 0.0 0 0.0 8 50
203 203 ASP D + 0 0 -103.6 124.7 -178.3 177.9 19.1 149.8 0 0.0 0 0.0 0 0.0 0 0.0 9 48
204 204 PHE F h > T + 0 0 -107.4 16.1 -178.6 114.0 46.0 72.5 123 -3.5 208 -2.2 202 -0.6 0 0.0 12 49
205 205 THR T H H > TS+ 0 0 -54.3 -47.4 -178.2 46.7 79.5 26.6 0 0.0 209 -1.3 0 0.0 0 0.0 11 43
206 206 GLU E H H 4 TS+ 0 0 -68.2 -28.1 173.2 52.2 110.7 35.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
207 207 ASP D H H 4 > TS+ 0 0 -69.3 -38.7 -178.8 56.4 104.9 26.9 0 0.0 210 -1.2 0 0.0 0 0.0 11 42
208 208 LEU L H H < > TS+ 0 0 -62.0 -34.8 179.6 60.4 98.9 34.5 204 -2.2 211 -1.5 0 0.0 0 0.0 14 53
209 209 LYS K T h < 3 TS+ 0 0 -69.4 -15.3 177.4 61.4 97.4 48.9 205 -1.3 0 0.0 0 0.0 0 0.0 9 36
210 210 LYS K T T < TS+ 0 0 -87.0 -3.1 178.7 114.2 76.2 59.3 207 -1.2 0 0.0 0 0.0 0 0.0 10 37
211 211 PHE F t < T + 0 0 -68.2 137.7 177.4 164.3 29.8 118.5 208 -1.5 0 0.0 0 0.0 0 0.0 10 47
212 212 ASP D + 0 0 -141.4 24.2 179.2 86.0 49.5 100.7 0 0.0 0 0.0 0 0.0 0 0.0 7 41
213 213 ILE I S S S- 0 0 -123.5 156.1 -179.9 -82.5 93.2 163.1 0 0.0 0 0.0 0 0.0 0 0.0 9 44
214 214 PRO P e - 0 0 -57.7 139.8 -175.8 -168.3 52.8 113.7 0 0.0 115 -1.8 0 0.0 0 0.0 10 45
215 215 THR T E E Af - 115 0 -140.0 130.0 174.6 -158.2 15.7 174.6 0 0.0 243 -2.6 0 0.0 0 0.0 12 57
216 216 LEU L E E Afg - 116 243 -106.5 129.1 178.1 -163.0 7.1 164.1 115 -2.4 117 -2.8 0 0.0 218 -0.5 12 58
217 217 VAL V E E Afg - 117 244 -112.5 118.5 178.3 -178.6 10.0 161.3 243 -3.1 245 -2.6 0 0.0 0 0.0 15 66
218 218 VAL V E E Afg + 118 245 -114.8 137.2 -179.4 162.8 8.9 169.2 117 -2.6 119 -2.8 216 -0.5 0 0.0 13 66
219 219 HIS H E E A g - 0 246 -156.2 140.7 179.1 -128.2 32.5 166.4 245 -1.7 247 -2.9 0 0.0 0 0.0 15 64
220 220 GLY G E E A g> T - 0 247 -83.9 151.6 175.5 -140.3 14.0 131.7 0 0.0 223 -0.8 0 0.0 0 0.0 15 53
221 221 ASP D T e 3 TS+ 0 0 -95.9 10.3 166.4 56.6 101.4 66.4 247 -1.9 0 0.0 0 0.0 0 0.0 12 39
222 222 ASP D T T 3 TS+ 0 0 -118.2 35.8 179.5 142.4 72.4 99.7 250 -1.9 224 -0.9 0 0.0 0 0.0 10 43
223 223 ASP D t < T - 0 0 -79.6 112.3 -176.7 -176.6 27.6 132.6 220 -0.8 0 0.0 0 0.0 0 0.0 15 53
224 224 GLN Q S S S+ 0 0 -92.4 7.0 -178.3 44.2 79.1 69.5 222 -0.9 0 0.0 161 -0.5 0 0.0 10 44
225 225 VAL V S S S+ 0 0 -114.7 -48.7 -177.1 28.0 120.9 42.6 0 0.0 0 0.0 0 0.0 0 0.0 7 61
226 226 VAL V S S S- 0 0 -122.6 103.2 -169.7 -132.0 87.6 159.7 0 0.0 0 0.0 0 0.0 0 0.0 12 69
227 227 PRO P g > > T - 0 0 -69.3 126.8 -175.4 -143.2 6.2 113.0 0 0.0 231 -1.2 0 0.0 230 -0.8 13 57
228 228 ILE I G G 4 >>TS+ 0 0 -56.8 -44.0 -175.5 55.2 94.5 31.3 0 0.0 233 -2.2 0 0.0 231 -0.6 12 53
229 229 ASP D G G 4 35TS+ 0 0 -63.9 -29.1 -179.5 41.6 112.4 39.8 0 0.0 0 0.0 0 0.0 0 0.0 9 46
230 230 ALA A G G 4 <5TS+ 0 0 -85.2 -23.4 -170.9 17.0 131.0 49.6 227 -0.8 124 -0.6 0 0.0 0 0.0 13 50
231 231 THR T T h X X5TS+ 0 0 -117.9 -89.4 -178.9 30.9 124.3 56.9 227 -1.2 235 -2.8 228 -0.6 234 -1.0 15 65
232 232 GLY G H H > 35TS+ 0 0 -45.7 -47.7 177.0 51.9 119.4 33.6 0 0.0 236 -1.7 0 0.0 0 0.0 17 62
233 233 ARG R H H > 3 X TS+ 0 0 -80.8 -38.7 -178.8 53.0 110.7 28.3 231 -1.0 238 -1.5 0 0.0 237 -0.6 10 52
235 235 SER S H H X 3 TS+ 0 0 -65.3 -31.2 -178.6 58.9 104.1 28.9 231 -2.8 239 -2.6 0 0.0 0 0.0 13 60
236 236 ALA A H H < 3 TS+ 0 0 -66.4 -26.3 176.4 46.3 108.6 39.3 232 -1.7 0 0.0 0 0.0 0 0.0 11 48
237 237 GLN Q H H < < TS+ 0 0 -84.8 -29.3 -177.6 43.1 116.1 40.7 234 -0.6 0 0.0 233 -0.6 0 0.0 8 37
238 238 ILE I H H < TS+ 0 0 -84.5 -43.7 -179.8 81.0 94.0 35.0 234 -1.5 0 0.0 0 0.0 0 0.0 9 37
239 239 ILE I S h < > TS- 0 0 -66.9 125.1 -178.5 -110.6 93.9 128.8 235 -2.6 242 -1.6 0 0.0 0 0.0 13 45
240 240 PRO P T T 3 TS- 0 0 -58.5 132.8 177.8 -3.8 93.7 109.5 0 0.0 0 0.0 0 0.0 0 0.0 8 33
241 241 ASN N T T 3 TS+ 0 0 62.7 13.1 -179.9 160.9 91.6 61.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
242 242 ALA A t < T - 0 0 -64.7 147.6 170.5 -141.4 31.7 101.3 239 -1.6 0 0.0 0 0.0 0 0.0 11 40
243 243 GLU E E E Ag - 216 0 -103.5 140.6 177.8 -153.3 12.2 155.4 215 -2.6 217 -3.1 0 0.0 0 0.0 8 38
244 244 LEU L E E Ag - 217 0 -115.7 134.0 173.3 -174.3 10.7 160.1 0 0.0 0 0.0 0 0.0 0 0.0 10 40
245 245 LYS K E E Ag - 218 0 -123.7 112.5 177.2 -155.6 12.3 164.3 217 -2.6 219 -1.7 0 0.0 0 0.0 8 45
246 246 VAL V E E Ag - 219 0 -85.1 127.5 177.9 -148.5 6.6 140.5 0 0.0 248 -0.9 0 0.0 0 0.0 8 42
247 247 TYR Y E E Ag > T - 220 0 -98.3 103.1 -178.0 -136.9 19.4 145.9 219 -2.9 221 -1.9 0 0.0 250 -1.8 9 45
248 248 GLU E T T 3 TS+ 0 0 -62.9 130.9 179.1 2.5 82.1 110.4 246 -0.9 0 0.0 0 0.0 0 0.0 7 34
249 249 GLY G T T 3 TS+ 0 0 75.9 6.1 -173.1 138.1 97.7 59.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
250 250 SER S t < T - 0 0 -93.1 150.4 179.3 -140.3 41.2 126.7 247 -1.8 222 -1.9 0 0.0 0 0.0 14 49
251 251 SER S t > T - 0 0 -89.3 -168.1 177.5 -89.3 35.9 90.7 0 0.0 254 -0.7 0 0.0 0 0.0 13 55
252 252 HIS H T T 3 TS+ 0 0 -75.4 -16.5 -175.4 64.1 119.4 44.8 162 -0.8 0 0.0 0 0.0 0 0.0 16 65
253 253 GLY G T T > > T + 0 0 -106.1 40.9 -179.4 138.9 57.6 90.2 162 -0.7 256 -2.1 0 0.0 257 -1.3 9 78
254 254 ILE I T T 4 < T + 0 0 -52.0 -38.6 -174.1 58.5 67.2 38.6 251 -0.7 0 0.0 0 0.0 0 0.0 12 65
255 255 ALA A T T 4 3 TS+ 0 0 -71.2 -19.4 -176.2 33.1 116.1 46.2 0 0.0 0 0.0 0 0.0 0 0.0 11 64
256 256 MET M T T 4 < TS+ 0 0 -110.6 -13.1 -173.0 94.8 94.2 58.2 253 -2.1 0 0.0 0 0.0 0 0.0 11 61
257 257 VAL V S t X TS- 0 0 -90.2 132.2 179.0 -105.8 82.1 132.2 253 -1.3 261 -2.5 0 0.0 0 0.0 12 51
258 258 PRO P T T 4 TS+ 0 0 -50.8 140.7 177.9 14.2 102.4 105.0 0 0.0 260 -1.3 0 0.0 0 0.0 8 36
259 259 GLY G T h > TS+ 0 0 90.8 -59.5 177.7 60.1 123.3 120.1 0 0.0 263 -1.8 0 0.0 0 0.0 7 31
260 260 ASP D H H > TS+ 0 0 -66.5 -38.2 -176.9 57.6 98.6 28.9 258 -1.3 264 -2.6 0 0.0 0 0.0 11 45
261 261 LYS K H H X TS+ 0 0 -66.1 -31.5 176.9 48.5 106.6 29.1 257 -2.5 265 -2.1 0 0.0 0 0.0 12 43
262 262 GLU E H H > TS+ 0 0 -72.3 -32.8 176.5 51.9 110.4 31.1 0 0.0 266 -2.1 0 0.0 0 0.0 8 33
263 263 LYS K H H X TS+ 0 0 -64.3 -45.5 179.8 45.9 112.3 23.9 259 -1.8 267 -2.4 0 0.0 0 0.0 8 34
264 264 PHE F H H X TS+ 0 0 -64.9 -42.2 -179.3 53.1 110.1 22.0 260 -2.6 268 -2.8 0 0.0 0 0.0 10 50
265 265 ASN N H H X TS+ 0 0 -58.8 -40.6 -179.5 49.9 109.6 22.8 261 -2.1 269 -2.5 0 0.0 0 0.0 10 49
266 266 ARG R H H X TS+ 0 0 -63.6 -44.5 178.0 45.0 113.6 18.4 262 -2.1 270 -2.2 0 0.0 0 0.0 8 35
267 267 ASP D H H X TS+ 0 0 -65.1 -41.7 179.2 51.3 112.8 30.8 263 -2.4 271 -2.3 0 0.0 0 0.0 8 40
268 268 LEU L H H X TS+ 0 0 -61.8 -44.6 -178.6 49.4 109.4 20.2 264 -2.8 272 -2.2 0 0.0 0 0.0 8 59
269 269 LEU L H H X TS+ 0 0 -67.6 -34.6 177.0 50.2 110.9 26.1 265 -2.5 273 -0.7 0 0.0 0 0.0 10 44
270 270 GLU E H H < > TS+ 0 0 -65.8 -44.8 178.5 47.2 112.8 19.4 266 -2.2 273 -1.1 0 0.0 0 0.0 8 34
271 271 PHE F H H < > TS+ 0 0 -63.8 -35.5 -177.2 65.9 100.6 32.8 267 -2.3 274 -1.6 0 0.0 0 0.0 8 42
272 272 LEU L H H < 3 TS+ 0 0 -64.8 -19.5 175.8 66.6 89.5 41.2 268 -2.2 0 0.0 0 0.0 0 0.0 7 46
273 273 ASN N T h < < T 0 0 -81.9 15.8 178.6 999.9 999.9 80.8 270 -1.1 0 0.0 269 -0.7 0 0.0 5 33
274 274 LYS K t < T 0 0 -107.8 999.9 999.9 999.9 999.9 45.4 271 -1.6 0 0.0 0 0.0 0 0.0 6 30
1a8q-.pdb
1A8Q HALOPEROXIDASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEE TTS EEEEEEE SSSEEEEE TT GGGGHHHHHHHHHTT EEEEE TTSTTS SS SHHHHHHHHHHHHHHTT SEEEEEETTHHHHH Kabs/Sand
chirality ----+-+---+--+--+---------++--+++++++++++++-+--++----++--+----++++-++++++++++++++--+++------+++++++ chirality
bends SSS SSS SS SSSSSSSSSSSSSSS SSSSSS SS SSSSSSSSSSSSSSSS S SSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33<>>><<< >33< >33X33< >33< >>><<< 3-turns
bridge-2 dddd cccc eeeeee bridge-2
bridge-1 AAA AAABBBB cccc BBBB dddd bridge-1
sheets AAA AAAAAAA AAAAA AAAAA AAAAAA sheets
4-turns >>>>XXX<<<< >>>>XXXXXXXX<<<< >>>>XX 4-turns
summary eEEEeTTteEEEEEEE SSeEEEEE tTTtgGGGhHHHHHHHHHhTtEEEEEetTTtTTt SS hHHHHHHHHHHHHHHhTt SEEEEEEehHHHHH summary
sequence PICTTRDGVEIFYKDWGQGRPVVFIHGWPLNGDAWQDQLKAVVDAGYRGIAHDRRGHGHSTPVWDGYDFDTFADDLNDLLTDLDLRDVTLVAHSMGGGEL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHH STTEEEEEEES S B SS TTSB HHHHHHHHHHHHHHHHHHHHHHHHHHTTTTSTT HHHHHHHHHHHTTS HHHHHHHHHHHH Kabs/Sand
chirality ++++++--++++------+-++--+-+-+++++---++++++++++++--++++++++++++-+++-++-+--+++++++++++++--++++++++++++ chirality
bends SSSSSSS SSS S SS S S SS SSS SSSSSSSSSSSSS SSSSSSSSSSSSS SSSS SSSSSSSSSSSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33<>33X33X33< >33< >>3<< >33< 3-turns
bridge-2 ffff bridge-2
bridge-1 e*eeeee a a bridge-1
sheets AAAAAAA sheets
4-turns XXXX<<<< >>>>XXXXXXXX<>XXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXX<< 4-turns
summary HHHHHHHhtTeEEEEEEEe S B SStTTtBhHHHHHHHHHHHHHHHHHHHHHHHHHHhTTTtTTt hHHHHHHHHHHHhTthHHHHHHHHHHHH summary
sequence ARYVGRHGTGRLRSAVLLSAIPPVMIKSDKNPDGVPDEVFDALKNGVLTERSQFWKDTAEGFFSANRPGNKVTQGNKDAFWYMAMAQTIEGGVRCVDAFG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand H HHHHTT S EEEEEETT SSS GGGTHHHHHHHSTT EEEEETT TTTTTSTTHHHHHHHHHHHHHT Kabs/Sand
chirality +-++++++++++-----+--++-++--+++++++++++--+------++--+++++-+++++++++++++++ chirality
bends S SSSSSS S SS SSS SSSSSSSSSSSSSS SS S SSSSSSSSSSSSSSSSSS bends
turns TT TTTTTTTT TTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >>333< >33<>3><3< >>3<< 3-turns
bridge-2 ggggg bridge-2
bridge-1 ffff ggggg bridge-1
sheets AAAAAA AAAAA sheets
4-turns << >>44<< >444X>>>X<<<< >444X4>>X>XXXXXXX<<<< 4-turns
summary Hh hHHHHhTt SeEEEEEEeTtSSSgGGGhHHHHHHHhTTtEEEEETTttTTTTTtThHHHHHHHHHHHHHht summary
sequence YTDFTEDLKKFDIPTLVVHGDDDQVVPIDATGRKSAQIIPNAELKVYEGSSHGIAMVPGDKEKFNRDLLEFLNK sequence
210 220 230 240 250 260 270