Secondary structure calculation program - copyright by David Keith Smith, 1989
1a0fA.pdb
1A0F TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 201
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 MET M e 0 0 999.9 134.1 -178.9 999.9 999.9 999.9 0 0.0 26 -1.6 0 0.0 0 0.0 9 36
2 A 2 LYS K E E AaB - 26 56 -128.4 133.9 175.1 -156.2 999.9 171.6 56 -1.8 56 -2.6 0 0.0 4 -0.6 10 44
3 A 3 LEU L E E AaB - 27 55 -108.3 122.4 177.5 -150.1 11.8 156.6 26 -2.7 28 -2.7 0 0.0 5 -0.6 13 56
4 A 4 PHE F E E AaB + 28 54 -88.2 119.9 -174.3 154.9 37.9 140.0 54 -2.4 54 -0.9 2 -0.6 0 0.0 13 62
5 A 5 TYR Y E E Aa - 29 0 -140.6 177.2 175.5 -139.7 43.4 143.8 28 -2.0 30 -2.2 3 -0.6 0 0.0 14 58
6 A 6 LYS K t > T - 0 0 -142.5 125.2 -179.7 -96.3 47.0 165.6 0 0.0 9 -2.0 0 0.0 0 0.0 11 45
7 A 7 PRO P T T 3 TS- 0 0 -44.3 122.5 178.5 -1.0 106.6 97.8 0 0.0 0 0.0 0 0.0 0 0.0 10 42
8 A 8 GLY G T T 3 TS+ 0 0 83.3 -21.5 179.1 122.1 101.8 80.0 0 0.0 0 0.0 0 0.0 0 0.0 9 51
9 A 9 ALA A S t X TS- 0 0 -61.3 -176.3 -179.8 -82.1 88.4 87.6 6 -2.0 12 -1.5 0 0.0 0 0.0 8 56
10 A 10 CYS C T T > TS+ 0 0 -66.1 -18.0 177.2 82.2 119.7 49.2 0 0.0 13 -1.5 0 0.0 0 0.0 13 63
11 A 11 SER S T h > 3 TS+ 0 0 -60.0 -18.0 177.7 81.2 70.8 50.7 0 0.0 15 -2.4 0 0.0 0 0.0 14 66
12 A 12 LEU L H H > < TS+ 0 0 -57.6 -37.4 178.2 57.4 86.4 31.5 9 -1.5 16 -2.9 0 0.0 0 0.0 13 64
13 A 13 ALA A H H > < TS+ 0 0 -60.5 -45.4 177.0 41.7 110.0 26.8 10 -1.5 17 -1.9 0 0.0 0 0.0 14 70
14 A 14 SER S H H > TS+ 0 0 -69.7 -36.4 177.7 54.1 114.1 30.3 0 0.0 18 -2.5 0 0.0 0 0.0 14 73
15 A 15 HIS H H H X TS+ 0 0 -64.0 -44.7 177.2 46.2 109.6 22.1 11 -2.4 19 -1.6 0 0.0 0 0.0 10 70
16 A 16 ILE I H H X TS+ 0 0 -63.8 -42.6 179.2 51.2 113.2 20.8 12 -2.9 20 -2.7 0 0.0 0 0.0 12 67
17 A 17 THR T H H X TS+ 0 0 -62.3 -39.9 177.8 55.2 105.0 27.1 13 -1.9 21 -1.5 0 0.0 0 0.0 13 64
18 A 18 LEU L H H < >TS+ 0 0 -61.3 -38.6 177.0 42.5 113.5 29.1 14 -2.5 23 -2.0 0 0.0 0 0.0 12 63
19 A 19 ARG R H H < >5TS+ 0 0 -73.9 -40.9 179.5 53.3 111.9 26.2 15 -1.6 22 -1.0 0 0.0 0 0.0 11 49
20 A 20 GLU E H H < 35TS+ 0 0 -66.7 -21.3 -179.4 48.6 110.2 40.7 16 -2.7 0 0.0 0 0.0 0 0.0 8 48
21 A 21 SER S T h < 35TS- 0 0 -98.8 -0.9 177.4 -116.3 113.4 58.9 17 -1.5 0 0.0 0 0.0 0 0.0 11 41
22 A 22 GLY G T T <5T + 0 0 74.0 32.7 -179.6 156.4 57.9 38.0 19 -1.0 0 0.0 0 0.0 0 0.0 6 32
23 A 23 LYS K t AC >T - 36 0 -84.7 103.3 -177.3 -166.2 21.3 143.4 36 -2.9 35 -1.8 0 0.0 36 -1.3 10 35
32 A 32 LEU L T T 4 5TS+ 0 0 -70.5 -17.6 178.2 53.9 80.1 49.9 30 -1.0 0 0.0 0 0.0 0 0.0 9 36
33 A 33 MET M T T 4 5TS+ 0 0 -78.5 -47.6 -179.6 26.1 123.9 20.0 0 0.0 0 0.0 0 0.0 0 0.0 4 25
34 A 34 LYS K T T 4 5TS- 0 0 -90.8 -9.6 -179.3 -130.7 98.2 58.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
35 A 35 LYS K T T < 5T + 0 0 54.7 48.4 -178.5 138.8 61.3 20.1 31 -1.8 43 -3.3 0 0.0 44 -0.6 11 29
36 A 36 ARG R E E ACA T - 30 0 -80.2 165.4 -179.6 -92.9 42.4 110.9 41 -2.7 40 -2.8 0 0.0 0 0.0 12 34
38 A 38 GLU E T e 3 TS+ 0 0 -51.4 -16.8 -179.3 46.4 130.0 47.8 29 -1.4 0 0.0 0 0.0 0 0.0 9 28
39 A 39 ASN N T T 3 TS- 0 0 -110.7 6.7 178.3 -96.6 124.9 80.2 0 0.0 0 0.0 0 0.0 0 0.0 5 20
40 A 40 GLY G S t < TS+ 0 0 96.0 -7.7 179.7 139.1 75.0 70.2 37 -2.8 0 0.0 0 0.0 0 0.0 6 19
41 A 41 ASP D - 0 0 -72.3 151.6 -178.9 -96.1 63.1 111.9 0 0.0 37 -2.7 0 0.0 0 0.0 7 22
42 A 42 ASP D B B A - 36 0 -67.9 128.1 179.9 -157.7 26.0 120.2 0 0.0 0 0.0 0 0.0 0 0.0 9 25
43 A 43 TYR Y S t > > TS+ 0 0 -77.6 -29.2 178.3 65.8 90.4 33.6 35 -3.3 47 -2.9 0 0.0 46 -2.1 12 35
44 A 44 PHE F T T 4 3 TS+ 0 0 -61.4 -21.3 178.5 63.4 93.2 42.1 35 -0.6 0 0.0 0 0.0 0 0.0 9 32
45 A 45 ALA A T T 4 3 TS+ 0 0 -74.7 -20.9 178.4 33.4 112.7 48.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
46 A 46 VAL V T T 4 < TS+ 0 0 -96.4 -56.4 178.2 20.1 135.8 35.6 43 -2.1 0 0.0 0 0.0 0 0.0 7 39
47 A 47 ASN N t < > T - 0 0 -122.6 108.0 179.7 -161.2 64.6 161.0 43 -2.9 50 -1.9 0 0.0 0 0.0 11 39
48 A 48 PRO P T T 3 TS+ 0 0 -59.3 -17.5 177.6 61.1 92.9 52.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
49 A 49 LYS K T T 3 TS- 0 0 -87.0 -12.4 177.9 -138.0 99.6 51.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
50 A 50 GLY G t < T + 0 0 67.0 17.1 -177.8 120.1 59.1 53.4 47 -1.9 0 0.0 0 0.0 0 0.0 9 36
51 A 51 GLN Q - 0 0 -115.5 156.0 173.8 -94.7 58.4 140.4 0 0.0 0 0.0 0 0.0 0 0.0 7 46
52 A 52 VAL V S S S+ 0 0 -104.0 146.8 0.0 54.4 86.5 142.2 0 0.0 0 0.0 0 0.0 0 0.0 12 56
53 A 53 PRO P e + 0 0 -90.6 166.1 175.2 151.4 58.9 52.2 0 0.0 65 -0.8 0 0.0 0 0.0 13 61
54 A 54 ALA A E E ABD - 4 64 -147.2 136.3 179.2 -150.5 27.7 167.1 4 -0.9 4 -2.4 0 0.0 0 0.0 15 57
55 A 55 LEU L E E ABD - 3 63 -115.3 124.4 178.2 -155.0 2.4 167.8 63 -3.0 63 -2.5 0 0.0 57 -0.7 12 55
56 A 56 LEU L E E ABD - 2 62 -98.4 110.7 179.9 -146.3 18.9 152.3 2 -2.6 2 -1.8 0 0.0 0 0.0 11 44
57 A 57 LEU L e > T - 0 0 -72.2 162.8 -179.0 -109.5 23.6 106.8 61 -3.8 60 -1.4 55 -0.7 0 0.0 10 32
58 A 58 ASP D T T 3 TS+ 0 0 -58.5 -43.8 178.8 56.4 120.6 23.0 0 0.0 0 0.0 0 0.0 0 0.0 6 22
59 A 59 ASP D T T 3 TS- 0 0 -64.1 -10.1 -179.3 -103.1 126.9 54.0 0 0.0 0 0.0 0 0.0 0 0.0 4 11
60 A 60 GLY G S t < TS+ 0 0 103.2 -6.2 179.3 146.5 72.6 67.5 57 -1.4 0 0.0 0 0.0 0 0.0 6 19
61 A 61 THR T e - 0 0 -66.9 134.3 177.9 -145.7 39.0 117.4 0 0.0 57 -3.8 0 0.0 63 -0.5 7 24
62 A 62 LEU L E E AD - 56 0 -105.7 125.0 -179.9 -171.6 15.4 156.3 0 0.0 0 0.0 0 0.0 0 0.0 10 36
63 A 63 LEU L E E AD - 55 0 -117.0 129.4 178.6 -176.2 5.5 166.0 55 -2.5 55 -3.0 61 -0.5 0 0.0 10 38
64 A 64 THR T E E AD + 54 0 -117.3 178.1 -178.4 67.8 42.0 132.3 0 0.0 0 0.0 0 0.0 0 0.0 11 40
65 A 65 GLU E S h > > TS- 0 0 74.2 111.2 -179.1 -123.6 70.7 34.4 53 -0.8 69 -2.4 0 0.0 68 -0.7 8 45
66 A 66 GLY G H H > 3 TS+ 0 0 -47.2 -52.2 179.1 52.6 109.6 28.6 0 0.0 70 -2.9 0 0.0 0 0.0 12 57
67 A 67 VAL V H H > 3 TS+ 0 0 -55.4 -38.3 179.5 47.7 111.6 30.9 0 0.0 71 -1.5 0 0.0 0 0.0 9 55
68 A 68 ALA A H H > < TS+ 0 0 -70.3 -47.8 177.7 48.5 112.2 19.7 65 -0.7 72 -2.3 0 0.0 0 0.0 9 45
69 A 69 ILE I H H X TS+ 0 0 -57.0 -45.5 -177.7 51.0 110.7 22.2 65 -2.4 73 -2.2 0 0.0 0 0.0 13 55
70 A 70 MET M H H X TS+ 0 0 -64.2 -35.7 177.1 47.5 111.3 34.3 66 -2.9 74 -2.1 0 0.0 0 0.0 12 64
71 A 71 GLN Q H H X TS+ 0 0 -71.8 -40.8 177.4 53.5 109.4 28.6 67 -1.5 75 -2.3 0 0.0 0 0.0 10 54
72 A 72 TYR Y H H X TS+ 0 0 -58.4 -45.5 -179.5 42.7 114.3 18.3 68 -2.3 76 -1.3 0 0.0 0 0.0 8 49
73 A 73 LEU L H H X TS+ 0 0 -68.3 -43.7 -179.4 49.1 114.1 24.9 69 -2.2 77 -0.6 0 0.0 0 0.0 11 53
74 A 74 ALA A H H < > TS+ 0 0 -63.8 -45.3 -179.8 49.3 110.8 23.4 70 -2.1 77 -1.1 0 0.0 0 0.0 15 46
75 A 75 ASP D H H < 3 TS+ 0 0 -63.2 -33.8 -179.4 62.4 103.2 35.0 71 -2.3 0 0.0 0 0.0 0 0.0 10 36
76 A 76 SER S H H < 3 TS+ 0 0 -67.1 -20.0 179.8 42.9 108.0 45.7 72 -1.3 0 0.0 0 0.0 0 0.0 6 32
77 A 77 VAL V h < X T + 0 0 -127.3 68.4 -179.3 162.0 66.1 121.3 74 -1.1 80 -2.0 73 -0.6 0 0.0 10 27
78 A 78 PRO P G G > TS+ 0 0 -55.1 -32.7 179.4 65.1 71.9 41.1 0 0.0 81 -1.1 0 0.0 0 0.0 10 28
79 A 79 ASP D G G 3 TS+ 0 0 -64.0 -26.5 -179.7 57.4 96.5 42.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
80 A 80 ARG R G G < TS- 0 0 -82.0 -13.2 178.4 -141.1 97.9 60.5 77 -2.0 0 0.0 0 0.0 0 0.0 7 28
81 A 81 GLN Q g < T + 0 0 53.4 51.8 -179.7 144.7 49.6 31.8 78 -1.1 0 0.0 0 0.0 0 0.0 9 37
82 A 82 LEU L S S S+ 0 0 -91.5 -13.1 179.5 20.0 75.8 57.2 0 0.0 153 -1.8 0 0.0 0 0.0 12 53
83 A 83 LEU L S S S- 0 0 -155.9 133.7 -179.7 -111.2 90.4 160.7 0 0.0 0 0.0 0 0.0 0 0.0 12 49
84 A 84 ALA A - 0 0 -66.3 155.3 -179.5 -88.7 44.6 103.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
85 A 85 PRO P t > T - 0 0 -68.0 154.0 179.9 -78.3 54.2 106.0 0 0.0 88 -1.9 0 0.0 0 0.0 8 27
86 A 86 VAL V T T 3 TS+ 0 0 -49.4 139.5 179.6 20.9 115.5 96.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
87 A 87 ASN N T T 3 TS+ 0 0 77.8 -0.4 177.2 120.3 90.6 67.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
88 A 88 SER S h > X T - 0 0 -92.7 135.3 -179.0 -134.6 67.7 142.4 85 -1.9 92 -1.1 0 0.0 91 -1.1 8 18
89 A 89 ILE I H H > 3 TS+ 0 0 -57.2 -32.4 179.1 65.9 104.4 31.3 0 0.0 93 -1.7 0 0.0 0 0.0 6 16
90 A 90 SER S H H > 3 TS+ 0 0 -56.4 -37.3 179.4 56.4 96.2 32.0 0 0.0 94 -1.6 0 0.0 0 0.0 8 31
91 A 91 ARG R H H > < TS+ 0 0 -61.8 -46.8 -177.9 47.1 107.2 19.8 88 -1.1 95 -1.9 0 0.0 0 0.0 12 35
92 A 92 TYR Y H H X TS+ 0 0 -70.0 -24.3 178.3 55.8 108.1 38.7 88 -1.1 96 -1.9 0 0.0 0 0.0 9 28
93 A 93 LYS K H H X TS+ 0 0 -74.1 -36.4 178.6 47.7 108.2 31.6 89 -1.7 97 -2.0 0 0.0 0 0.0 9 35
94 A 94 THR T H H X TS+ 0 0 -67.7 -40.8 179.5 48.0 113.7 25.5 90 -1.6 98 -2.4 0 0.0 0 0.0 13 45
95 A 95 ILE I H H X TS+ 0 0 -68.5 -33.6 175.6 55.6 107.8 31.9 91 -1.9 99 -2.2 0 0.0 0 0.0 9 44
96 A 96 GLU E H H X TS+ 0 0 -63.0 -45.7 178.6 45.2 110.6 19.3 92 -1.9 100 -2.1 0 0.0 0 0.0 8 36
97 A 97 TRP W H H X TS+ 0 0 -63.8 -42.9 178.4 54.6 109.6 25.1 93 -2.0 101 -3.0 0 0.0 0 0.0 10 52
98 A 98 LEU L H H X TS+ 0 0 -57.8 -41.2 -179.6 44.9 111.4 27.5 94 -2.4 102 -2.3 0 0.0 0 0.0 12 51
99 A 99 ASN N H H X TS+ 0 0 -74.1 -35.7 178.0 51.6 112.1 26.5 95 -2.2 103 -3.1 0 0.0 0 0.0 10 38
100 A 100 TYR Y H H X >TS+ 0 0 -63.1 -49.0 179.1 43.9 113.9 20.3 96 -2.1 104 -2.4 0 0.0 105 -0.9 9 41
101 A 101 ILE I H H X >TS+ 0 0 -61.6 -44.0 -179.3 47.7 116.8 24.4 97 -3.0 106 -3.1 0 0.0 105 -0.9 12 55
102 A 102 ALA A H H < >TS+ 0 0 -61.8 -54.2 -176.9 27.4 124.3 20.7 98 -2.3 107 -1.7 0 0.0 0 0.0 10 47
103 A 103 THR T H H < 5TS+ 0 0 -82.1 -36.1 -178.1 31.3 131.2 31.5 99 -3.1 0 0.0 0 0.0 0 0.0 9 32
104 A 104 GLU E H H < 5TS+ 0 0 -96.6 -29.9 -178.7 22.3 130.7 43.2 100 -2.4 0 0.0 0 0.0 0 0.0 10 39
105 A 105 LEU L T h X > TS+ 0 0 -38.7 -50.7 -180.0 53.7 81.5 39.3 106 -1.3 113 -0.8 0 0.0 0 0.0 8 40
111 A 111 PRO P G G 4 > TS+ 0 0 -61.2 -29.0 -179.8 59.7 103.0 39.8 0 0.0 114 -1.1 0 0.0 0 0.0 11 30
112 A 112 LEU L G G 4 < TS+ 0 0 -66.7 -32.8 -178.1 48.7 106.0 28.0 109 -1.6 0 0.0 0 0.0 0 0.0 8 35
113 A 113 PHE F G G < < TS+ 0 0 -91.9 13.8 -178.1 82.4 101.7 79.1 109 -0.9 0 0.0 110 -0.8 0 0.0 6 34
114 A 114 ARG R g < T - 0 0 -123.5 150.3 178.6 -145.3 65.6 149.1 111 -1.1 0 0.0 0 0.0 0 0.0 7 24
115 A 115 PRO P S S S+ 0 0 -76.6 -48.3 -179.6 61.9 95.6 21.5 0 0.0 0 0.0 0 0.0 0 0.0 6 14
116 A 116 ASP D S S S+ 0 0 -56.9 -10.5 178.1 106.8 78.4 53.3 0 0.0 0 0.0 0 0.0 0 0.0 4 14
117 A 117 THR T S S S- 0 0 -72.2 114.0 179.6 -121.1 81.3 127.3 0 0.0 0 0.0 0 0.0 0 0.0 9 19
118 A 118 PRO P t > > T - 0 0 -56.8 141.8 -179.3 -124.5 14.9 108.8 0 0.0 121 -1.5 0 0.0 122 -1.0 7 16
119 A 119 GLU E T T 4 3 TS+ 0 0 -60.7 -30.2 179.2 56.7 108.6 36.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
120 A 120 GLU E T T 4 3 TS+ 0 0 -77.4 -9.1 179.1 58.3 102.9 51.8 0 0.0 0 0.0 0 0.0 0 0.0 6 16
121 A 121 TYR Y T h > X TS+ 0 0 -87.0 -28.9 -178.3 77.1 86.0 37.6 118 -1.5 125 -1.7 0 0.0 124 -1.1 8 21
122 A 122 LYS K H H X 3 TS+ 0 0 -52.5 -37.2 179.6 56.3 88.5 35.7 118 -1.0 126 -2.1 0 0.0 0 0.0 11 27
123 A 123 PRO P H H > 3 TS+ 0 0 -64.1 -34.7 -178.6 50.5 106.4 35.0 0 0.0 127 -1.9 0 0.0 0 0.0 7 26
124 A 124 THR T H H > < TS+ 0 0 -70.4 -41.8 179.4 49.6 110.3 23.1 121 -1.1 128 -2.4 0 0.0 0 0.0 8 22
125 A 125 VAL V H H X TS+ 0 0 -63.3 -45.8 179.1 47.3 111.7 23.7 121 -1.7 129 -2.4 0 0.0 0 0.0 12 35
126 A 126 ARG R H H X TS+ 0 0 -60.9 -44.8 -179.9 52.2 111.7 20.9 122 -2.1 130 -2.5 0 0.0 0 0.0 9 39
127 A 127 ALA A H H X TS+ 0 0 -58.7 -45.7 178.9 47.3 110.4 25.6 123 -1.9 131 -1.6 0 0.0 0 0.0 8 30
128 A 128 GLN Q H H X TS+ 0 0 -64.2 -40.7 179.6 51.8 111.1 28.8 124 -2.4 132 -1.4 0 0.0 0 0.0 8 34
129 A 129 LEU L H H X TS+ 0 0 -64.0 -42.6 178.6 52.3 106.9 27.3 125 -2.4 133 -2.2 0 0.0 0 0.0 11 46
130 A 130 GLU E H H X TS+ 0 0 -62.4 -34.7 177.8 53.9 106.8 29.5 126 -2.5 134 -1.2 0 0.0 0 0.0 11 40
131 A 131 LYS K H H X TS+ 0 0 -67.1 -35.8 179.4 46.9 110.3 32.6 127 -1.6 135 -1.1 0 0.0 0 0.0 8 31
132 A 132 LYS K H H X TS+ 0 0 -72.6 -39.3 179.0 57.8 106.2 27.0 128 -1.4 136 -2.1 0 0.0 0 0.0 10 41
133 A 133 LEU L H H X TS+ 0 0 -60.6 -28.6 177.6 56.5 102.4 35.6 129 -2.2 137 -2.3 0 0.0 0 0.0 9 52
134 A 134 GLN Q H H X TS+ 0 0 -70.7 -37.7 178.4 48.5 106.2 25.1 130 -1.2 138 -1.9 0 0.0 0 0.0 9 34
135 A 135 TYR Y H H X TS+ 0 0 -68.1 -37.1 179.3 48.5 112.8 29.1 131 -1.1 139 -1.8 0 0.0 0 0.0 8 32
136 A 136 VAL V H H X TS+ 0 0 -68.6 -40.0 178.6 56.4 106.9 31.1 132 -2.1 140 -1.1 0 0.0 0 0.0 9 56
137 A 137 ASN N H H < TS+ 0 0 -58.8 -42.9 179.1 43.2 111.1 23.6 133 -2.3 0 0.0 0 0.0 0 0.0 12 43
138 A 138 GLU E H H < > TS+ 0 0 -72.9 -34.1 178.5 59.8 106.8 32.6 134 -1.9 141 -1.6 0 0.0 0 0.0 8 29
139 A 139 ALA A H H < 3 TS+ 0 0 -63.8 -21.1 -179.6 49.1 107.4 42.0 135 -1.8 0 0.0 0 0.0 0 0.0 8 35
140 A 140 LEU L T h < > TS+ 0 0 -101.0 15.3 -174.9 112.4 78.2 83.3 136 -1.1 143 -1.4 0 0.0 0 0.0 13 41
141 A 141 LYS K T T < T + 0 0 -67.2 -28.2 177.2 61.6 65.8 40.6 138 -1.6 0 0.0 0 0.0 0 0.0 8 26
142 A 142 ASP D T T 3 TS- 0 0 -78.5 10.3 177.8 -125.0 111.8 69.9 0 0.0 0 0.0 0 0.0 0 0.0 6 23
143 A 143 GLU E S t < TS+ 0 0 48.0 59.7 179.4 99.6 71.3 33.2 140 -1.4 0 0.0 0 0.0 0 0.0 8 27
144 A 144 HIS H S S S- 0 0 -128.4 -125.9 176.9 -43.8 81.5 88.8 0 0.0 0 0.0 0 0.0 0 0.0 11 35
145 A 145 TRP W B B B > T - 148 0 -109.9 161.5 -178.9 -94.0 64.1 133.3 148 -2.8 148 -2.4 0 0.0 0 0.0 12 45
146 A 146 ILE I T T 3 TS+ 0 0 -46.5 -35.2 178.6 38.5 127.9 37.0 0 0.0 0 0.0 0 0.0 0 0.0 10 53
147 A 147 CYS C T T 3 TS- 0 0 -103.4 16.2 179.0 -105.7 121.2 77.2 0 0.0 149 -0.5 0 0.0 0 0.0 13 46
148 A 148 GLY G B B B < TS+ 145 0 109.8 -125.2 -176.6 9.7 85.3 153.0 145 -2.4 145 -2.8 0 0.0 0 0.0 8 39
149 A 149 GLN Q S S S+ 0 0 -66.2 -42.3 -177.2 56.7 113.8 35.2 147 -0.5 0 0.0 0 0.0 0 0.0 6 27
150 A 150 ARG R S S S- 0 0 -105.2 144.6 177.4 -114.7 80.8 139.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
151 A 151 PHE F + 0 0 -69.0 134.3 179.4 171.5 45.5 121.9 0 0.0 0 0.0 0 0.0 0 0.0 10 51
152 A 152 THR T h > > T - 0 0 -136.4 179.7 178.4 -87.7 51.2 142.4 0 0.0 156 -1.0 0 0.0 155 -0.8 12 61
153 A 153 ILE I H H > 3 TS+ 0 0 -64.3 -22.0 177.3 67.3 120.2 46.4 82 -1.8 157 -1.5 0 0.0 0 0.0 15 66
154 A 154 ALA A H H > 3 TS+ 0 0 -66.2 -36.4 178.3 53.3 97.6 29.6 0 0.0 158 -2.8 0 0.0 0 0.0 12 68
155 A 155 ASP D H H > < TS+ 0 0 -63.4 -44.1 179.1 52.1 106.2 26.6 152 -0.8 159 -2.5 0 0.0 0 0.0 11 73
156 A 156 ALA A H H X TS+ 0 0 -59.8 -41.1 179.5 41.0 115.7 24.1 152 -1.0 160 -1.5 0 0.0 0 0.0 12 70
157 A 157 TYR Y H H X TS+ 0 0 -76.1 -38.3 178.2 52.3 113.4 30.6 153 -1.5 161 -1.8 0 0.0 0 0.0 14 70
158 A 158 LEU L H H X TS+ 0 0 -63.3 -43.5 179.3 49.7 110.4 22.9 154 -2.8 162 -2.3 0 0.0 0 0.0 9 70
159 A 159 PHE F H H X TS+ 0 0 -59.9 -46.2 178.3 53.3 108.5 26.9 155 -2.5 163 -1.5 0 0.0 0 0.0 11 65
160 A 160 THR T H H X TS+ 0 0 -54.6 -50.5 -179.8 40.8 113.6 25.9 156 -1.5 164 -0.5 0 0.0 0 0.0 12 67
161 A 161 VAL V H H X > TS+ 0 0 -71.7 -34.5 179.1 58.6 109.8 29.9 157 -1.8 164 -1.1 0 0.0 165 -0.8 12 64
162 A 162 LEU L H H X 3 TS+ 0 0 -66.9 -28.3 176.5 67.9 93.7 37.9 158 -2.3 166 -1.4 0 0.0 0 0.0 8 64
163 A 163 ARG R H H X 3 TS+ 0 0 -58.3 -35.4 178.0 50.8 99.6 32.1 159 -1.5 167 -2.1 0 0.0 0 0.0 8 52
164 A 164 TRP W H H X < TS+ 0 0 -72.1 -30.4 179.5 62.4 99.5 40.7 161 -1.1 168 -2.8 160 -0.5 0 0.0 8 48
165 A 165 ALA A H H X >TS+ 0 0 -61.5 -36.6 179.4 40.7 111.2 25.5 161 -0.8 170 -2.8 0 0.0 169 -0.6 10 49
166 A 166 TYR Y H H < >5TS+ 0 0 -77.1 -43.8 179.8 52.3 113.1 20.8 162 -1.4 169 -0.7 0 0.0 0 0.0 9 37
167 A 167 ALA A H H < 35TS+ 0 0 -54.8 -46.7 -178.4 43.9 114.2 20.8 163 -2.1 0 0.0 0 0.0 0 0.0 7 28
168 A 168 VAL V H H < 35TS- 0 0 -75.2 -13.6 -180.0 -124.1 111.8 50.8 164 -2.8 0 0.0 0 0.0 0 0.0 6 33
169 A 169 LYS K T h < <5T + 0 0 69.2 41.2 175.9 176.3 41.5 24.5 166 -0.7 0 0.0 165 -0.6 0 0.0 7 27
170 A 170 LEU L t T + 0 0 -111.6 20.6 -179.9 132.6 25.3 86.2 170 -1.0 175 -1.1 0 0.0 0 0.0 10 34
173 A 173 GLU E T T 3 TS+ 0 0 -82.6 128.7 -178.3 17.1 72.4 128.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
174 A 174 GLY G T T 3 TS+ 0 0 97.3 -7.0 -179.4 115.7 90.1 73.1 0 0.0 176 -1.4 0 0.0 0 0.0 4 24
175 A 175 LEU L h > < T + 0 0 -93.6 76.3 -176.7 162.2 34.4 130.8 172 -1.1 179 -1.3 0 0.0 0 0.0 9 32
176 A 176 GLU E H H > T + 0 0 -71.1 -28.1 179.7 56.0 66.5 41.3 174 -1.4 180 -1.7 0 0.0 0 0.0 8 29
177 A 177 HIS H H H > TS+ 0 0 -74.4 -31.3 177.2 51.7 106.5 31.4 0 0.0 181 -1.7 0 0.0 0 0.0 11 34
178 A 178 ILE I H H > TS+ 0 0 -68.4 -40.7 178.7 49.7 110.1 26.8 0 0.0 182 -2.1 0 0.0 0 0.0 10 49
179 A 179 ALA A H H X TS+ 0 0 -65.8 -40.5 178.0 49.4 110.4 30.9 175 -1.3 183 -1.4 0 0.0 0 0.0 8 42
180 A 180 ALA A H H X TS+ 0 0 -64.7 -42.8 177.8 52.4 109.9 32.1 176 -1.7 184 -2.0 0 0.0 0 0.0 9 35
181 A 181 PHE F H H X TS+ 0 0 -58.9 -47.9 178.9 51.2 107.0 25.0 177 -1.7 185 -2.6 0 0.0 0 0.0 12 47
182 A 182 MET M H H X TS+ 0 0 -58.4 -38.3 179.3 47.9 112.5 30.7 178 -2.1 186 -1.9 0 0.0 0 0.0 9 47
183 A 183 GLN Q H H X TS+ 0 0 -69.9 -40.0 177.9 51.0 110.0 29.3 179 -1.4 187 -1.3 0 0.0 0 0.0 8 34
184 A 184 ARG R H H < TS+ 0 0 -64.8 -39.3 177.4 47.8 112.6 27.0 180 -2.0 0 0.0 0 0.0 0 0.0 8 38
185 A 185 MET M H H < > TS+ 0 0 -70.0 -38.0 179.6 56.0 106.8 28.6 181 -2.6 188 -1.4 0 0.0 0 0.0 9 48
186 A 186 ALA A H H < 3 TS+ 0 0 -64.2 -28.9 -178.4 56.5 103.3 36.6 182 -1.9 0 0.0 0 0.0 0 0.0 9 35
187 A 187 GLU E T h < 3 TS+ 0 0 -87.6 3.7 174.5 101.3 79.7 70.2 183 -1.3 0 0.0 0 0.0 0 0.0 8 26
188 A 188 ARG R h > X T - 0 0 -85.3 120.1 -179.3 -144.8 69.3 146.0 185 -1.4 192 -2.2 0 0.0 191 -0.6 8 35
189 A 189 PRO P H H > 3 TS+ 0 0 -57.9 -31.4 177.6 56.2 97.1 33.0 0 0.0 193 -2.3 0 0.0 0 0.0 7 26
190 A 190 GLU E H H > 3 TS+ 0 0 -70.8 -32.5 176.8 46.6 108.5 33.5 0 0.0 194 -1.6 0 0.0 0 0.0 9 41
191 A 191 VAL V H H > < TS+ 0 0 -76.0 -33.5 175.1 53.5 110.4 27.2 188 -0.6 195 -2.6 0 0.0 0 0.0 12 48
192 A 192 GLN Q H H X TS+ 0 0 -60.5 -45.6 178.8 49.0 109.6 22.0 188 -2.2 196 -2.2 0 0.0 0 0.0 10 33
193 A 193 ASP D H H X TS+ 0 0 -62.0 -38.5 179.5 50.3 110.9 28.3 189 -2.3 197 -2.9 0 0.0 0 0.0 8 35
194 A 194 ALA A H H X TS+ 0 0 -66.5 -46.0 179.7 46.9 110.9 19.7 190 -1.6 198 -1.9 0 0.0 0 0.0 12 48
195 A 195 LEU L H H < >TS+ 0 0 -60.5 -41.6 179.2 49.9 114.8 22.7 191 -2.6 200 -3.5 0 0.0 0 0.0 10 42
196 A 196 SER S H H < >5TS+ 0 0 -62.7 -49.6 179.8 49.0 108.8 22.8 192 -2.2 199 -1.3 0 0.0 0 0.0 9 26
197 A 197 ALA A H H < 35TS+ 0 0 -63.7 -30.4 179.7 51.3 111.5 33.1 193 -2.9 0 0.0 0 0.0 0 0.0 7 34
198 A 198 GLU E T h < 35TS- 0 0 -83.0 -7.1 179.4 -116.3 116.6 55.1 194 -1.9 0 0.0 0 0.0 0 0.0 8 39
199 A 199 GLY G T T <5TS+ 0 0 76.4 29.3 179.3 135.8 71.0 33.3 196 -1.3 0 0.0 0 0.0 0 0.0 7 22
200 A 200 LEU L t 5555< >5555< > 5-turns
3-turns >33X>3<< >33< >33< >33<>33< >33< >33< >33X>3<< >33X33< 3-turns
bridge-2 BBB A DDD bridge-2
bridge-1 aaaa aaaaCC CC A BBB DDD bridge-1
sheets AAAA AAAAAA AA AAA AAA sheets
4-turns >>>>XXX<<<< >444< >444< >>>>XXXXX<<<< >>>>XXXXXXXXX 4-turns
summary eEEEEtTTtThHHHHHHHHHhTt EEEEEETTTTEEeTt BtTTTtTTt SeEEEeTTteEEEhHHHHHHHHHHHhGGGgSS tTThHHHHHHHHHHHH summary
sequence MKLFYKPGACSLASHITLRESGKDFTLVSVDLMKKRLENGDDYFAVNPKGQVPALLLDDGTLLTEGVAIMQYLADSVPDRQLLAPVNSISRYKTIEWLNY sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHTHHHHGGGG SSS TTTHHHHHHHHHHHHHHHHHHTTTSSBTTBSS HHHHHHHHHHHHHHHHT TT HHHHHHHHHHHT HHHHHHHHHTT Kabs/Sand
chirality +++++++++++++-++--+++++++++++++++++++++++-+--+-++-+-+++++++++++++++-+-+++++++++++++++++-+++++++++-+ chirality
bends SSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSSSS SSS SSSSS SSSSSSSSSSSSSSSS SS SSSSSSSSSSS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>55<<< >5555< >5555< 5-turns
3-turns >33X>><<< >33X33< >3><3< >33< >33< >33< >33< >33< >33X33< >33< 3-turns
bridge-2 bridge-2
bridge-1 B B bridge-1
sheets sheets
4-turns X<<44X<44< >44>X>>XXXXXXXXXXXX<<<< >>>>XXXXXXXXXX<<<< >>>>XXXXX<<<<>>>>XXX<<<< 4-turns
summary HHHHhHHHHhGGGgSSStTThHHHHHHHHHHHHHHHHHHhTTtSBTTBSS hHHHHHHHHHHHHHHHHht tTThHHHHHHHHHHHhhHHHHHHHHHhTt summary
sequence IATELHKGFTPLFRPDTPEEYKPTVRAQLEKKLQYVNEALKDEHWICGQRFTIADAYLFTVLRWAYAVKLNLEGLEHIAAFMQRMAERPEVQDALSAEGL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand Kabs/Sand
chirality chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary summary
sequence K sequence