Secondary structure calculation program - copyright by David Keith Smith, 1989
1gbs-.pdb
1GBS HYDROLASE (O-GLYCOSYL) LYSOZYME (E.C.3.2.1.17) AUSTRALIAN BLACK SWAN (CYGNUS ATRATUS) EGG-WHITE
Sequence length - 185
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 ARG R 0 0 999.9 142.5 -178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
2 2 THR T + 0 0 -136.7 10.3 -178.0 84.9 999.9 71.7 0 0.0 0 0.0 0 0.0 0 0.0 11 33
3 3 ASP D t > T + 0 0 -102.6 19.6 -178.5 111.5 50.3 78.9 0 0.0 6 -0.9 0 0.0 0 0.0 9 34
4 4 CYS C T T 3 TS+ 0 0 -61.5 -36.5 -177.2 32.8 87.4 33.7 60 -0.5 0 0.0 0 0.0 0 0.0 7 36
5 5 TYR Y T T 3 TS- 0 0 -105.5 8.9 -179.0 -83.8 124.4 74.9 60 -0.6 0 0.0 0 0.0 0 0.0 12 48
6 6 GLY G t < T - 0 0 120.3 -176.3 179.3 -76.7 45.2 132.5 3 -0.9 0 0.0 0 0.0 0 0.0 8 43
7 7 ASN N g > T - 0 0 -131.4 128.5 -176.6 -146.0 21.9 174.0 0 0.0 10 -1.8 0 0.0 0 0.0 9 48
8 8 VAL V G G > TS+ 0 0 -65.1 -26.6 178.7 68.9 95.4 40.7 0 0.0 11 -1.6 0 0.0 0 0.0 13 53
9 9 ASN N G G 3 TS+ 0 0 -69.2 -11.7 -179.4 53.8 97.8 52.8 0 0.0 0 0.0 0 0.0 0 0.0 6 44
10 10 ARG R G G < TS+ 0 0 -104.4 4.0 -179.7 102.6 86.3 68.1 7 -1.8 0 0.0 0 0.0 0 0.0 6 35
11 11 ILE I S g < TS- 0 0 -94.4 131.8 178.1 -131.8 70.0 139.0 8 -1.6 0 0.0 0 0.0 0 0.0 10 43
12 12 ASP D - 0 0 -74.7 136.8 -180.0 -179.3 34.5 126.0 0 0.0 0 0.0 0 0.0 0 0.0 4 42
13 13 THR T - 0 0 -145.4 145.4 177.2 -164.3 38.4 177.7 0 0.0 0 0.0 0 0.0 0 0.0 9 46
14 14 THR T - 0 0 -105.0 9.2 178.5 -149.1 46.1 76.0 0 0.0 0 0.0 0 0.0 0 0.0 9 43
15 15 GLY G + 0 0 59.9 -157.6 -178.9 0.1 46.5 91.9 0 0.0 0 0.0 0 0.0 0 0.0 16 54
16 16 ALA A B B A - 30 0 -68.6 135.7 177.1 -132.7 65.6 111.6 30 -1.2 30 -3.1 0 0.0 0 0.0 17 51
17 17 SER S h > > T - 0 0 -77.4 167.9 179.3 -103.1 33.4 112.9 0 0.0 21 -2.1 0 0.0 20 -1.2 12 43
18 18 CYS C H H > 3 TS+ 0 0 -65.4 -23.5 177.8 66.8 121.9 39.2 0 0.0 22 -2.5 0 0.0 0 0.0 9 32
19 19 LYS K H H 4 3 TS+ 0 0 -65.2 -28.8 178.3 37.8 109.0 39.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
20 20 THR T H H > < TS+ 0 0 -87.1 -43.7 -178.3 46.2 120.1 31.3 17 -1.2 24 -0.5 0 0.0 0 0.0 10 45
21 21 ALA A H H < >>TS+ 0 0 -68.6 -49.4 -179.0 55.3 105.3 22.5 17 -2.1 26 -1.8 0 0.0 24 -0.9 15 39
22 22 LYS K G h < >5TS+ 0 0 -54.9 -48.1 179.9 51.8 104.7 29.2 18 -2.5 25 -2.1 0 0.0 0 0.0 11 24
23 23 PRO P G G 4 35TS+ 0 0 -62.6 -21.7 178.2 58.1 106.1 41.4 0 0.0 0 0.0 0 0.0 0 0.0 7 23
24 24 GLU E G G < <5TS- 0 0 -85.4 1.2 178.9 -106.6 124.9 68.8 21 -0.9 0 0.0 20 -0.5 0 0.0 7 33
25 25 GLY G T g <5TS+ 0 0 82.3 19.6 178.7 133.4 76.0 44.3 22 -2.1 0 0.0 0 0.0 0 0.0 6 23
26 26 LEU L t T + 0 0 -126.7 -165.3 178.9 60.1 42.8 112.5 0 0.0 33 -0.6 0 0.0 0 0.0 15 34
30 30 GLY G H H > A TS- 16 0 81.6 -162.2 -178.9 -24.1 104.1 104.8 16 -3.1 34 -2.2 0 0.0 16 -1.2 12 41
31 31 VAL V H H > TS+ 0 0 -57.2 -43.8 179.6 52.9 135.1 30.7 0 0.0 35 -2.6 0 0.0 0 0.0 12 42
32 32 PRO P H H > TS+ 0 0 -62.4 -38.5 177.0 50.5 109.5 26.7 0 0.0 36 -2.1 0 0.0 0 0.0 9 36
33 33 ALA A H H X TS+ 0 0 -62.3 -47.7 177.7 49.5 110.4 19.5 29 -0.6 37 -2.4 0 0.0 0 0.0 13 43
34 34 SER S H H X TS+ 0 0 -57.3 -46.7 179.5 47.7 112.5 21.6 30 -2.2 38 -2.4 0 0.0 0 0.0 16 57
35 35 LYS K H H X TS+ 0 0 -65.2 -36.9 178.8 50.2 110.9 28.1 31 -2.6 39 -2.2 0 0.0 0 0.0 11 53
36 36 THR T H H X TS+ 0 0 -66.7 -42.7 178.5 47.0 112.2 24.1 32 -2.1 40 -1.8 0 0.0 0 0.0 8 43
37 37 ILE I H H X TS+ 0 0 -64.5 -40.6 178.3 51.2 112.2 22.5 33 -2.4 41 -0.9 0 0.0 0 0.0 10 54
38 38 ALA A H H X > TS+ 0 0 -63.5 -38.4 179.1 53.2 107.6 29.0 34 -2.4 42 -0.6 0 0.0 41 -0.6 13 56
39 39 GLU E H H < > TS+ 0 0 -64.8 -38.0 178.2 57.1 103.4 27.8 35 -2.2 42 -0.9 0 0.0 0 0.0 8 44
40 40 ARG R H H < 3 TS+ 0 0 -62.4 -25.9 180.0 45.8 109.7 42.9 36 -1.8 0 0.0 0 0.0 0 0.0 7 36
41 41 ASP D H H X < TS+ 0 0 -95.6 -5.4 -178.0 95.4 86.1 60.6 37 -0.9 45 -3.0 38 -0.6 0 0.0 11 46
42 42 LEU L H H X < TS+ 0 0 -57.1 -43.0 179.4 49.1 82.2 31.6 39 -0.9 46 -2.3 38 -0.6 0 0.0 8 44
43 43 LYS K H H > TS+ 0 0 -63.1 -48.5 178.2 43.0 116.4 16.5 0 0.0 47 -0.6 0 0.0 0 0.0 7 30
44 44 ALA A H H 4 > TS+ 0 0 -61.0 -42.9 179.9 52.2 114.5 23.1 0 0.0 47 -1.1 0 0.0 0 0.0 11 39
45 45 MET M H H < > TS+ 0 0 -61.8 -39.6 -177.4 63.5 98.7 30.3 41 -3.0 48 -1.9 0 0.0 0 0.0 11 52
46 46 ASP D H H < 3 TS+ 0 0 -61.3 -21.2 178.1 70.2 88.8 46.1 42 -2.3 0 0.0 0 0.0 0 0.0 7 38
47 47 ARG R T h < < TS+ 0 0 -65.5 -26.8 -178.9 33.2 109.9 36.0 44 -1.1 0 0.0 43 -0.6 0 0.0 7 33
48 48 TYR Y S h > < TS+ 0 0 -111.7 7.1 -178.1 112.2 85.6 70.3 45 -1.9 52 -2.7 0 0.0 0 0.0 9 45
49 49 LYS K H H > TS+ 0 0 -50.2 -46.2 179.8 51.9 75.5 30.4 0 0.0 53 -2.7 0 0.0 0 0.0 9 43
50 50 THR T H H > TS+ 0 0 -59.4 -44.1 179.5 43.1 114.1 22.6 0 0.0 54 -2.0 0 0.0 0 0.0 7 33
51 51 ILE I H H > TS+ 0 0 -67.8 -44.3 179.4 51.5 113.8 24.7 0 0.0 55 -2.6 0 0.0 0 0.0 10 43
52 52 ILE I H H X TS+ 0 0 -60.1 -45.6 179.4 44.8 112.9 22.0 48 -2.7 56 -2.0 0 0.0 0 0.0 13 55
53 53 LYS K H H X TS+ 0 0 -66.8 -36.2 179.5 52.5 113.1 28.5 49 -2.7 57 -2.0 0 0.0 0 0.0 11 43
54 54 LYS K H H X TS+ 0 0 -65.6 -47.3 179.2 44.2 111.3 22.7 50 -2.0 58 -2.1 0 0.0 0 0.0 8 36
55 55 VAL V H H X TS+ 0 0 -66.7 -37.5 178.8 54.7 111.8 29.8 51 -2.6 59 -2.6 0 0.0 0 0.0 13 43
56 56 GLY G H H X >TS+ 0 0 -62.4 -43.0 178.4 44.6 110.6 25.7 52 -2.0 61 -2.1 0 0.0 60 -0.7 13 49
57 57 GLU E H H < 5TS+ 0 0 -65.8 -43.1 -179.7 51.9 113.5 26.1 53 -2.0 0 0.0 0 0.0 0 0.0 12 32
58 58 LYS K H H < 5TS+ 0 0 -61.1 -43.1 -178.5 31.8 120.4 26.7 54 -2.1 0 0.0 0 0.0 0 0.0 7 32
59 59 LEU L H H < 5TS- 0 0 -98.9 4.2 -178.4 -119.6 107.3 68.4 55 -2.6 0 0.0 0 0.0 0 0.0 9 38
60 60 CYS C T h < 5TS+ 0 0 56.0 47.1 178.5 126.9 71.3 25.8 56 -0.7 5 -0.6 0 0.0 4 -0.5 11 38
61 61 VAL V t > T - 0 0 -67.3 128.9 179.1 -141.1 21.0 116.0 0 0.0 66 -1.6 0 0.0 65 -1.2 14 59
63 63 PRO P H H > 3 TS+ 0 0 -55.2 -33.5 178.6 63.6 104.6 29.8 0 0.0 67 -2.7 0 0.0 0 0.0 13 63
64 64 ALA A H H > 3 TS+ 0 0 -58.5 -39.8 179.6 50.0 100.4 30.8 0 0.0 68 -2.2 0 0.0 0 0.0 12 66
65 65 VAL V H H > < TS+ 0 0 -66.6 -43.3 177.9 49.8 109.8 24.3 62 -1.2 69 -2.1 0 0.0 0 0.0 12 83
66 66 ILE I H H X TS+ 0 0 -59.6 -45.5 178.9 48.6 112.8 17.1 62 -1.6 70 -2.6 0 0.0 0 0.0 13 85
67 67 ALA A H H X TS+ 0 0 -62.8 -41.8 178.5 52.5 108.4 27.0 63 -2.7 71 -2.7 0 0.0 0 0.0 14 73
68 68 GLY G H H X TS+ 0 0 -60.7 -40.2 179.5 47.4 111.7 24.3 64 -2.2 72 -2.1 0 0.0 0 0.0 15 75
69 69 ILE I H H X TS+ 0 0 -66.2 -45.6 179.0 49.9 111.4 20.3 65 -2.1 73 -2.9 0 0.0 0 0.0 11 82
70 70 ILE I H H X TS+ 0 0 -61.5 -39.5 179.7 51.4 110.2 25.8 66 -2.6 74 -2.4 0 0.0 76 -1.2 12 76
71 71 SER S H H X TS+ 0 0 -63.7 -46.1 -179.8 40.9 115.5 18.3 67 -2.7 75 -1.4 0 0.0 0 0.0 13 67
72 72 ARG R H H < TS+ 0 0 -68.1 -44.6 -178.6 43.8 119.6 25.5 68 -2.1 0 0.0 0 0.0 0 0.0 9 67
73 73 GLU E H H < TS- 0 0 -71.1 -42.8 -176.0 -5.9 138.6 27.8 69 -2.9 0 0.0 0 0.0 0 0.0 10 65
74 74 SER S H H < >>TS- 0 0 -140.4 8.1 -176.3 -111.1 84.6 68.5 70 -2.4 79 -1.7 0 0.0 77 -0.5 15 53
75 75 HIS H G h < >5TS- 0 0 54.5 44.4 -179.3 -57.7 84.5 23.7 71 -1.4 78 -1.6 0 0.0 0 0.0 12 53
76 76 ALA A G G 35TS- 0 0 55.4 37.4 178.9 -48.2 106.2 33.8 70 -1.2 0 0.0 0 0.0 0 0.0 12 55
77 77 GLY G G G X5TS+ 0 0 95.2 -18.9 -178.7 112.4 112.1 82.6 74 -0.5 80 -1.4 0 0.0 0 0.0 11 45
78 78 LYS K T g <5TS+ 0 0 -58.7 -26.9 -176.7 46.9 81.0 39.3 75 -1.6 0 0.0 0 0.0 0 0.0 7 39
79 79 VAL V T T 3 TS- 84 0 -117.6 100.4 -176.9 -26.7 89.8 162.6 84 -1.8 84 -1.8 0 0.0 0 0.0 7 25
82 82 ASN N T T 3 TS- 0 0 56.4 42.0 179.7 -50.0 127.4 25.5 80 -0.5 0 0.0 0 0.0 0 0.0 5 29
83 83 GLY G T T 3 TS+ 0 0 83.5 -9.7 -179.0 122.3 112.5 74.8 0 0.0 92 -2.5 0 0.0 0 0.0 12 39
84 84 TRP W B B BC< T - 81 91 -92.9 142.0 178.1 -128.2 58.8 130.5 81 -1.8 81 -1.8 0 0.0 0 0.0 14 36
85 85 GLY G t > T - 0 0 -73.3 172.0 -177.4 -90.8 43.3 104.7 90 -2.5 88 -2.0 0 0.0 0 0.0 14 32
86 86 ASP D T T 3 TS+ 0 0 -67.8 -10.4 175.9 47.3 126.7 53.2 0 0.0 0 0.0 0 0.0 0 0.0 8 24
87 87 ARG R T T 3 TS- 0 0 -107.5 8.7 178.3 -118.2 110.8 71.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
88 88 GLY G S t < TS+ 0 0 70.6 7.1 179.4 95.2 92.5 58.5 85 -2.0 0 0.0 0 0.0 0 0.0 7 27
89 89 ASN N e + 0 0 -95.0 -43.1 -179.1 69.9 66.5 31.9 0 0.0 98 -2.7 0 0.0 0 0.0 10 29
90 90 GLY G E E AA - 97 0 -83.9 134.1 179.5 -161.9 65.2 130.0 0 0.0 85 -2.5 0 0.0 0 0.0 12 45
91 91 PHE F E E AAC >T - 96 84 -118.8 137.6 177.1 -6.6 42.1 159.2 96 -2.6 96 -2.1 0 0.0 0 0.0 15 48
92 92 GLY G T T >5TS- 0 0 79.1 173.5 179.2 -49.4 96.7 86.2 83 -2.5 95 -1.6 0 0.0 0 0.0 16 55
93 93 LEU L T T 35TS+ 0 0 -49.3 -43.4 -179.3 39.2 140.6 29.1 107 -2.2 0 0.0 0 0.0 0 0.0 15 61
94 94 MET M T T 35TS- 0 0 -90.6 0.7 179.3 -127.7 108.3 64.0 0 0.0 0 0.0 0 0.0 0 0.0 12 71
95 95 GLN Q T T <5T - 0 0 52.7 57.6 175.6 -164.5 25.5 22.8 92 -1.6 0 0.0 0 0.0 0 0.0 12 59
96 96 VAL V E E AA AA > T - 90 0 -80.1 118.6 -179.4 -150.3 14.0 133.6 0 0.0 101 -2.4 0 0.0 100 -1.9 11 40
98 98 LYS K T e 4 3 TS+ 0 0 -59.8 -22.4 179.0 60.4 96.0 45.9 89 -2.7 0 0.0 96 -0.6 0 0.0 10 28
99 99 ARG R T T 4 3 TS+ 0 0 -78.8 -18.0 -179.7 32.9 115.6 44.3 0 0.0 0 0.0 0 0.0 0 0.0 6 19
100 100 SER S T T 4 < TS+ 0 0 -107.3 -32.2 179.8 15.0 130.8 45.5 97 -1.9 0 0.0 0 0.0 0 0.0 6 26
101 101 HIS H S t < TS- 0 0 -144.9 139.7 177.8 -113.1 78.4 171.7 97 -2.4 0 0.0 0 0.0 0 0.0 7 31
102 102 LYS K - 0 0 -71.8 120.8 -179.5 -118.7 45.6 127.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
103 103 PRO P - 0 0 -64.8 139.0 179.0 -155.2 29.5 113.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
104 104 GLN Q - 0 0 -115.8 150.2 178.5 -0.2 45.3 151.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
105 105 GLY G S S S- 0 0 71.2 -176.9 177.9 -38.4 98.5 93.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
106 106 THR T t > T - 0 0 -77.1 157.7 -177.9 -104.3 64.9 120.4 0 0.0 109 -1.3 0 0.0 0 0.0 9 30
107 107 TRP W T T 3 TS+ 0 0 -58.2 -21.3 -178.1 29.4 115.3 47.6 0 0.0 93 -2.2 0 0.0 0 0.0 11 45
108 108 ASN N T T 3 TS+ 0 0 -130.9 30.0 -178.1 98.7 100.3 86.7 0 0.0 0 0.0 0 0.0 0 0.0 11 51
109 109 GLY G S h > < TS- 0 0 -113.6 -176.3 -178.1 -91.8 83.3 118.5 106 -1.3 113 -2.1 0 0.0 0 0.0 9 41
110 110 GLU E H H > TS+ 0 0 -63.0 -38.1 178.6 55.4 119.5 32.3 0 0.0 114 -2.5 0 0.0 0 0.0 10 40
111 111 VAL V H H > TS+ 0 0 -61.7 -46.6 179.3 46.0 110.3 22.9 0 0.0 115 -2.2 0 0.0 0 0.0 9 36
112 112 HIS H H H > TS+ 0 0 -61.7 -50.5 -179.2 47.3 113.8 21.3 0 0.0 116 -2.6 0 0.0 0 0.0 16 49
113 113 ILE I H H X TS+ 0 0 -60.5 -38.5 177.4 52.1 111.4 28.1 109 -2.1 117 -2.5 0 0.0 0 0.0 14 60
114 114 THR T H H X TS+ 0 0 -64.7 -41.5 178.4 48.6 110.8 25.2 110 -2.5 118 -2.2 0 0.0 0 0.0 9 48
115 115 GLN Q H H X TS+ 0 0 -63.6 -50.6 179.3 45.2 113.3 18.9 111 -2.2 119 -2.3 0 0.0 0 0.0 11 45
116 116 GLY G H H X TS+ 0 0 -60.0 -41.7 179.9 47.8 115.5 25.0 112 -2.6 120 -1.8 0 0.0 0 0.0 11 62
117 117 THR T H H X TS+ 0 0 -68.2 -38.3 177.7 52.3 109.4 31.2 113 -2.5 121 -2.6 0 0.0 0 0.0 11 62
118 118 THR T H H X TS+ 0 0 -63.5 -41.8 177.7 52.1 108.0 22.4 114 -2.2 122 -1.8 0 0.0 0 0.0 9 48
119 119 ILE I H H X TS+ 0 0 -59.3 -40.1 177.2 49.5 110.7 26.0 115 -2.3 123 -1.6 0 0.0 0 0.0 9 52
120 120 LEU L H H X TS+ 0 0 -64.0 -49.4 179.3 50.0 108.9 21.1 116 -1.8 124 -2.3 0 0.0 0 0.0 11 60
121 121 THR T H H X TS+ 0 0 -62.6 -26.6 176.7 56.1 107.5 39.1 117 -2.6 125 -2.2 0 0.0 0 0.0 9 51
122 122 ASP D H H X TS+ 0 0 -70.4 -42.0 177.3 45.9 108.9 26.7 118 -1.8 126 -2.0 0 0.0 0 0.0 8 38
123 123 PHE F H H X TS+ 0 0 -66.5 -38.8 178.3 51.5 111.8 26.6 119 -1.6 127 -1.9 0 0.0 0 0.0 14 49
124 124 ILE I H H X TS+ 0 0 -62.6 -45.5 178.4 49.9 109.7 22.4 120 -2.3 128 -2.0 0 0.0 0 0.0 14 53
125 125 LYS K H H X TS+ 0 0 -61.5 -38.5 177.1 52.9 109.0 25.2 121 -2.2 129 -1.6 0 0.0 0 0.0 9 40
126 126 ARG R H H X TS+ 0 0 -62.7 -41.1 -179.7 46.9 109.9 27.9 122 -2.0 130 -1.7 0 0.0 0 0.0 10 38
127 127 ILE I H H X TS+ 0 0 -69.8 -32.9 178.0 58.5 107.0 34.3 123 -1.9 131 -2.6 0 0.0 0 0.0 12 43
128 128 GLN Q H H < TS+ 0 0 -62.7 -39.2 -179.8 41.3 111.2 27.9 124 -2.0 0 0.0 0 0.0 0 0.0 11 37
129 129 LYS K H H < TS+ 0 0 -79.3 -30.0 -179.5 50.2 116.0 33.5 125 -1.6 0 0.0 0 0.0 0 0.0 7 28
130 130 LYS K H H < TS+ 0 0 -77.0 -33.3 -179.8 26.9 124.0 32.9 126 -1.7 0 0.0 0 0.0 0 0.0 6 31
131 131 PHE F h < > T + 0 0 -131.5 75.2 -179.7 164.0 65.1 127.0 127 -2.6 134 -1.1 0 0.0 0 0.0 8 32
132 132 PRO P T T 3 TS+ 0 0 -62.4 -27.0 -179.9 62.5 74.7 42.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
133 133 SER S T T 3 TS+ 0 0 -70.9 -29.9 179.5 93.6 84.3 42.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
134 134 TRP W S t < TS- 0 0 -61.8 157.6 176.8 -108.6 83.8 102.8 131 -1.1 0 0.0 0 0.0 0 0.0 9 31
135 135 THR T h > T - 0 0 -80.1 165.2 179.5 -102.7 34.4 114.9 0 0.0 139 -2.0 0 0.0 0 0.0 7 32
136 136 LYS K H H > TS+ 0 0 -56.2 -40.8 -179.2 52.4 123.2 25.4 0 0.0 140 -2.1 0 0.0 0 0.0 9 37
137 137 ASP D H H > TS+ 0 0 -66.0 -34.1 178.1 51.9 107.3 32.0 0 0.0 141 -1.6 0 0.0 0 0.0 13 45
138 138 GLN Q H H > TS+ 0 0 -67.9 -39.6 179.0 50.2 109.0 26.6 0 0.0 142 -2.1 0 0.0 0 0.0 10 49
139 139 GLN Q H H X TS+ 0 0 -65.6 -38.6 176.3 56.7 105.7 29.1 135 -2.0 143 -3.2 0 0.0 0 0.0 14 55
140 140 LEU L H H X TS+ 0 0 -59.6 -42.3 179.3 47.1 108.4 21.7 136 -2.1 144 -2.3 0 0.0 0 0.0 12 70
141 141 LYS K H H X TS+ 0 0 -66.1 -40.8 179.9 49.3 112.6 22.9 137 -1.6 145 -2.3 0 0.0 0 0.0 12 72
142 142 GLY G H H X TS+ 0 0 -63.0 -42.2 179.0 53.2 109.2 23.9 138 -2.1 146 -2.4 0 0.0 0 0.0 14 63
143 143 GLY G H H X TS+ 0 0 -58.7 -46.3 179.1 47.4 109.2 23.8 139 -3.2 147 -1.4 0 0.0 0 0.0 16 64
144 144 ILE I H H X TS+ 0 0 -63.6 -41.1 179.6 51.8 110.9 24.2 140 -2.3 148 -0.6 0 0.0 0 0.0 14 78
145 145 SER S H H X > TS+ 0 0 -61.9 -41.7 179.7 51.6 108.4 24.5 141 -2.3 149 -1.9 0 0.0 148 -1.1 15 66
146 146 ALA A H H X 3 TS+ 0 0 -65.9 -28.4 178.3 71.8 94.4 39.0 142 -2.4 150 -3.0 0 0.0 0 0.0 13 58
147 147 TYR Y H H < 3 TS+ 0 0 -58.4 -28.0 178.6 32.7 110.4 39.2 143 -1.4 0 0.0 0 0.0 0 0.0 11 59
148 148 ASN N H H < < TS+ 0 0 -96.5 -43.1 -176.6 16.1 138.1 32.7 145 -1.1 0 0.0 144 -0.6 0 0.0 9 57
149 149 ALA A H H < TS- 0 0 -115.7 0.4 179.1 -103.8 106.0 62.4 145 -1.9 0 0.0 0 0.0 0 0.0 11 42
150 150 GLY G h < > T - 0 0 93.1 151.0 -178.8 -82.0 36.2 82.2 146 -3.0 153 -1.7 0 0.0 0 0.0 10 42
151 151 ALA A G G > TS+ 0 0 -59.8 -27.4 -179.6 67.5 123.5 36.6 0 0.0 154 -1.4 0 0.0 0 0.0 11 40
152 152 GLY G G G 3 TS+ 0 0 -67.1 -21.2 179.6 58.8 92.8 44.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
153 153 ASN N G G < TS+ 0 0 -81.2 -16.3 179.9 85.3 85.7 49.6 150 -1.7 155 -1.1 0 0.0 0 0.0 10 36
154 154 VAL V g < T + 0 0 -90.0 97.5 -178.8 145.8 44.5 139.6 151 -1.4 0 0.0 0 0.0 0 0.0 13 43
155 155 ARG R + 0 0 -106.5 -15.1 -178.3 4.5 67.6 55.7 153 -1.1 0 0.0 0 0.0 0 0.0 7 35
156 156 SER S - 0 0 -158.5 170.7 178.6 -113.5 69.6 159.3 0 0.0 0 0.0 0 0.0 0 0.0 6 35
157 157 TYR Y S t > TS+ 0 0 -79.4 -47.2 -176.7 48.7 110.2 20.8 0 0.0 160 -0.8 0 0.0 0 0.0 8 42
158 158 ALA A T T 3 TS+ 0 0 -63.4 -39.2 -177.7 32.3 120.1 35.6 0 0.0 0 0.0 0 0.0 0 0.0 4 34
159 159 ARG R T T > TS+ 0 0 -107.9 16.3 -178.2 118.8 78.8 75.0 0 0.0 162 -1.6 0 0.0 0 0.0 8 36
160 160 MET M T T < TS+ 0 0 -49.2 -44.4 -177.8 52.7 73.4 35.0 157 -0.8 0 0.0 0 0.0 0 0.0 12 48
161 161 ASP D T T > TS+ 0 0 -72.5 -16.8 178.8 105.3 78.6 51.1 0 0.0 164 -2.4 0 0.0 0 0.0 12 48
162 162 ILE I T T < TS+ 0 0 -66.3 121.2 -178.0 27.2 88.0 122.3 159 -1.6 0 0.0 0 0.0 0 0.0 7 38
163 163 GLY G T T 3 TS+ 0 0 111.2 -20.5 176.9 108.5 98.0 79.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
164 164 THR T S g X TS- 0 0 -77.5 174.0 178.8 -65.0 93.2 109.0 161 -2.4 167 -2.2 0 0.0 0 0.0 12 40
165 165 THR T G G > TS- 0 0 -64.4 126.2 -178.7 -2.6 126.3 118.5 0 0.0 168 -1.2 0 0.0 0 0.0 8 36
166 166 HIS H G G 3 TS- 0 0 65.2 14.2 -179.9 -94.1 112.3 54.3 0 0.0 0 0.0 0 0.0 0 0.0 9 37
167 167 ASP D G G < TS+ 0 0 53.1 31.2 -177.9 77.7 116.5 43.2 164 -2.2 0 0.0 0 0.0 0 0.0 9 41
168 168 ASP D h > < T + 0 0 -150.5 16.8 -174.6 129.8 46.2 78.2 165 -1.2 172 -3.1 0 0.0 0 0.0 13 50
169 169 TYR Y H H > TS+ 0 0 -47.8 -62.7 -179.3 31.5 81.8 25.6 0 0.0 173 -2.7 0 0.0 0 0.0 14 64
170 170 ALA A H H > TS+ 0 0 -65.0 -38.7 -179.8 54.3 119.7 26.5 0 0.0 174 -3.1 0 0.0 0 0.0 11 70
171 171 ASN N H H > TS+ 0 0 -60.1 -46.1 178.6 42.2 113.5 17.2 0 0.0 175 -1.8 0 0.0 0 0.0 13 65
172 172 ASP D H H X TS+ 0 0 -66.9 -50.1 -179.7 47.6 116.2 17.4 168 -3.1 176 -2.4 0 0.0 0 0.0 17 69
173 173 VAL V H H X TS+ 0 0 -60.4 -41.3 179.7 52.7 110.0 26.1 169 -2.7 177 -2.6 0 0.0 0 0.0 15 74
174 174 VAL V H H X TS+ 0 0 -61.8 -40.9 178.9 47.8 110.7 25.7 170 -3.1 178 -2.1 0 0.0 0 0.0 15 68
175 175 ALA A H H X TS+ 0 0 -66.1 -43.7 178.5 48.0 112.2 24.6 171 -1.8 179 -1.8 0 0.0 0 0.0 16 60
176 176 ARG R H H X TS+ 0 0 -62.9 -40.7 179.3 51.3 112.3 24.9 172 -2.4 180 -2.3 0 0.0 0 0.0 15 63
177 177 ALA A H H X TS+ 0 0 -62.6 -44.0 179.4 54.5 104.7 28.3 173 -2.6 181 -2.4 0 0.0 0 0.0 15 68
178 178 GLN Q H H X TS+ 0 0 -59.8 -35.7 175.8 50.7 109.1 25.8 174 -2.1 182 -1.0 0 0.0 0 0.0 11 54
179 179 TYR Y H H < > TS+ 0 0 -65.1 -50.2 -180.0 47.6 109.9 15.6 175 -1.8 182 -1.1 0 0.0 0 0.0 11 51
180 180 TYR Y H H < >>TS+ 0 0 -60.8 -30.5 178.2 63.0 104.3 31.9 176 -2.3 185 -1.9 0 0.0 183 -1.2 13 52
181 181 LYS K H H < >5TS+ 0 0 -59.2 -37.0 -179.5 45.6 105.4 33.4 177 -2.4 184 -0.5 0 0.0 0 0.0 10 43
182 182 GLN Q T h < <5TS+ 0 0 -84.5 -7.6 -178.1 54.1 112.9 62.2 179 -1.1 0 0.0 178 -1.0 0 0.0 7 30
183 183 HIS H T T <5TS- 0 0 -125.1 42.2 176.8 -65.4 128.9 98.7 180 -1.2 0 0.0 0 0.0 0 0.0 6 38
184 184 GLY G T T <5T 0 0 98.6 4.0 -178.9 999.9 999.9 60.7 181 -0.5 0 0.0 0 0.0 0 0.0 5 34
185 185 TYR Y t 5555< >5555< >5555< >5555< 5-turns
3-turns >33<>>3<< >33<>>3<< >>3<< >>3<< >33< >>3X<3<>33<>33< >33< >33< 3-turns
bridge-2 C C bridge-2
bridge-1 A A B B AA AA bridge-1
sheets AA AA sheets
4-turns >>4><<4< >>>>XXXXXX<4<<<>>>>XXXXX<<<< >>>>XXXXXX<<<< >444 4-turns
summary tTTtgGGGg BhHHHHhGGgtS hHHHHHHHHHHHHHHHHHhhHHHHHHHHHHHhthHHHHHHHHHHHHhGGgTtBTTBtTTteEETTTTEEeTT summary
sequence RTDCYGNVNRIDTTGASCKTAKPEGLSYCGVPASKTIAERDLKAMDRYKTIIKKVGEKLCVEPAVIAGIISRESHAGKVLKNGWGDRGNGFGLMQVDKRS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S S TTSHHHHHHHHHHHHHHHHHHHHH TTS HHHHHHHHHHHHHH GGG STTTTTTSGGG HHHHHHHHHHHHHTTT Kabs/Sand
chirality ------++-++++++++++++++++++++++++--+++++++++++++--+++++-+++++++---++++++++++++++++- chirality
bends S S SSSSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSS SSS SSSSSSSSSSS SSSSSSSSSSSSSSS bends
turns T TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >>3<< >3><><3X>3<< >>><<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns < >>>>XXXXXXXXXXXXXXX<<<< >>>>XXXXXXXX<<<< >>>>XXXXXXX<<<< 4-turns
summary t StTThHHHHHHHHHHHHHHHHHHHHHhTTthHHHHHHHHHHHHHHhGGGg tTTTTTTgGGGhHHHHHHHHHHHHHhTTt summary
sequence HKPQGTWNGEVHITQGTTILTDFIKRIQKKFPSWTKDQQLKGGISAYNAGAGNVRSYARMDIGTTHDDYANDVVARAQYYKQHGY sequence
110 120 130 140 150 160 170 180