Secondary structure calculation program - copyright by David Keith Smith, 1989
1bolA.pdb
1BOL HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 222
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 SER S 0 0 999.9 92.9 176.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12
2 A 2 SER S - 0 0 133.8 158.0 175.3 -124.2 999.9 116.8 0 0.0 0 0.0 0 0.0 0 0.0 3 21
3 A 3 CYS C - 0 0 -135.2 108.6 -179.8 -110.5 50.7 167.5 0 0.0 5 -1.0 0 0.0 0 0.0 7 30
4 A 4 SER S t > T - 0 0 -45.1 83.1 -178.8 -166.5 35.5 104.0 0 0.0 7 -1.2 0 0.0 0 0.0 9 27
5 A 5 SER S T T 3 TS+ 0 0 -63.5 -4.7 174.0 58.3 75.6 67.7 3 -1.0 0 0.0 0 0.0 0 0.0 8 31
6 A 6 THR T T T 3 TS+ 0 0 -93.9 -8.7 -178.2 116.4 79.9 51.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
7 A 7 ALA A t < T - 0 0 -53.7 127.8 179.0 -163.6 51.3 104.9 4 -1.2 198 -2.7 0 0.0 0 0.0 11 35
8 A 8 LEU L B B A - 197 0 -122.1 135.5 178.1 -120.3 18.7 166.0 0 0.0 0 0.0 0 0.0 0 0.0 14 39
9 A 9 SER S S S S+ 0 0 -67.3 152.9 179.7 26.2 96.2 112.2 196 -2.5 0 0.0 0 0.0 0 0.0 14 47
10 A 10 CYS C S S S+ 0 0 60.0 47.4 178.3 89.6 107.8 23.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43
11 A 11 SER S S t > TS- 0 0 -160.0 169.5 179.7 -89.0 95.3 167.6 0 0.0 14 -1.6 0 0.0 0 0.0 6 29
12 A 12 ASN N T T 3 TS+ 0 0 -63.1 -0.8 -178.6 58.2 119.6 65.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
13 A 13 SER S T T 3 T + 0 0 -117.9 14.8 -179.9 124.6 66.0 79.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
14 A 14 ALA A t < T - 0 0 -76.4 124.3 179.9 -130.5 59.7 129.4 11 -1.6 0 0.0 0 0.0 0 0.0 10 36
15 A 15 ASN N - 0 0 -80.7 141.2 -177.5 -125.7 12.2 126.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31
16 A 16 SER S S S S+ 0 0 -61.3 -4.3 -179.9 103.2 83.2 63.7 0 0.0 18 -1.0 0 0.0 0 0.0 6 30
17 A 17 ASP D t > > T - 0 0 -82.9 105.4 -179.4 -159.1 61.5 137.5 0 0.0 20 -2.2 0 0.0 21 -0.9 6 37
18 A 18 THR T T T 4 3 TS+ 0 0 -67.4 -1.8 175.6 66.3 88.8 56.9 16 -1.0 0 0.0 0 0.0 0 0.0 10 40
19 A 19 CYS C T T 4 3 TS+ 0 0 -88.9 -14.1 -178.7 34.3 111.0 52.4 0 0.0 0 0.0 0 0.0 0 0.0 11 41
20 A 20 CYS C T T 4 < TS+ 0 0 -119.3 -3.0 177.5 31.7 128.1 63.5 17 -2.2 0 0.0 0 0.0 0 0.0 12 41
21 A 21 SER S S t < TS- 0 0 -152.6 123.0 176.5 -109.4 92.9 154.9 17 -0.9 0 0.0 0 0.0 0 0.0 20 47
22 A 22 PRO P - 0 0 -57.6 138.8 -179.5 -142.9 11.6 107.7 0 0.0 0 0.0 0 0.0 0 0.0 13 58
23 A 23 GLU E S S S+ 0 0 -71.6 -40.7 177.4 53.6 102.2 29.8 0 0.0 25 -1.2 0 0.0 0 0.0 9 51
24 A 24 TYR Y S S S- 0 0 -99.3 92.2 -175.9 -175.9 81.2 143.7 0 0.0 0 0.0 0 0.0 0 0.0 13 55
25 A 25 GLY G e + 0 0 -67.8 -15.4 179.9 65.6 58.2 60.4 23 -1.2 196 -0.5 0 0.0 0 0.0 14 54
26 A 26 LEU L E E AAB - 51 195 -110.9 122.7 -177.1 -174.1 67.1 165.8 51 -1.9 51 -3.3 0 0.0 0 0.0 15 54
27 A 27 VAL V E E AAB - 50 194 -121.6 136.4 177.2 -155.0 10.0 162.7 194 -2.0 194 -2.4 0 0.0 0 0.0 12 61
28 A 28 VAL V E E AAB - 49 193 -115.5 137.6 178.3 -149.2 6.7 159.5 49 -2.4 49 -2.7 0 0.0 30 -0.7 12 65
29 A 29 LEU L E E AAB - 48 192 -98.4 112.2 -178.1 -162.1 17.0 156.6 192 -3.2 192 -2.0 0 0.0 31 -0.6 15 68
30 A 30 ASN N E E AAB + 47 191 -105.1 115.0 -177.4 172.9 14.2 152.6 47 -3.0 46 -3.0 28 -0.7 47 -1.8 13 63
31 A 31 MET M E E AAB - 45 190 -117.8 148.0 -178.6 -157.8 11.0 152.1 190 -2.6 190 -2.6 29 -0.6 0 0.0 13 59
32 A 32 GLN Q E E AAB - 44 189 -131.8 164.7 179.6 -136.7 23.1 148.1 44 -2.4 44 -2.1 0 0.0 34 -0.7 11 59
33 A 33 TRP W e + 0 0 -115.4 91.3 177.6 169.2 34.9 153.9 188 -2.5 0 0.0 0 0.0 0 0.0 11 57
34 A 34 ALA A t > T - 0 0 -103.5 102.0 171.8 -132.5 32.0 154.7 32 -0.7 37 -2.1 0 0.0 0 0.0 10 46
35 A 35 PRO P T T 3 TS+ 0 0 -53.9 131.0 -177.1 29.8 95.0 110.6 0 0.0 0 0.0 0 0.0 0 0.0 7 39
36 A 36 GLY G T T 3 TS+ 0 0 98.3 -6.9 -179.2 90.9 105.5 74.8 222 -1.5 0 0.0 0 0.0 0 0.0 5 29
37 A 37 TYR Y S t < TS- 0 0 -124.5 128.0 178.5 -14.9 84.3 168.8 34 -2.1 0 0.0 0 0.0 0 0.0 11 34
38 A 38 GLY G S S S- 0 0 75.5 177.9 -176.8 -28.6 99.1 87.7 0 0.0 0 0.0 0 0.0 0 0.0 13 39
39 A 39 PRO P t > T - 0 0 -63.2 156.2 178.0 -119.8 55.6 99.1 0 0.0 42 -1.0 0 0.0 0 0.0 9 35
40 A 40 ASP D T T 3 TS+ 0 0 -65.5 -27.6 -179.7 51.2 112.5 37.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
41 A 41 ASN N T T 3 TS+ 0 0 -102.1 32.0 179.8 66.3 104.5 92.4 0 0.0 0 0.0 0 0.0 0 0.0 5 37
42 A 42 ALA A t < T - 0 0 -160.2 144.6 174.1 -132.2 66.3 170.1 39 -1.0 0 0.0 0 0.0 0 0.0 10 50
43 A 43 PHE F - 0 0 -82.1 146.5 -179.1 -140.1 35.9 127.6 0 0.0 0 0.0 0 0.0 0 0.0 15 59
44 A 44 THR T E E AA - 32 0 -108.2 169.0 -177.4 -92.0 23.4 131.3 32 -2.1 32 -2.4 0 0.0 0 0.0 15 55
45 A 45 LEU L E E AA + 31 0 -88.0 144.0 173.4 173.4 32.6 124.5 90 -2.8 0 0.0 0 0.0 0 0.0 13 61
46 A 46 HIS H E E A* - 0 0 -108.3 -51.3 179.9 -61.2 66.5 47.8 30 -3.0 0 0.0 0 0.0 0 0.0 8 63
47 A 47 GLY G E E AA - 30 0 178.6 171.4 -179.7 -110.9 29.1 167.2 30 -1.8 30 -3.0 0 0.0 49 -0.5 9 60
48 A 48 LEU L E E AA - 29 0 -121.4 107.6 -174.8 -166.1 40.9 168.6 0 0.0 0 0.0 0 0.0 0 0.0 11 69
49 A 49 TRP W E E AA - 28 0 -106.9 114.2 171.9 -144.6 12.2 151.4 28 -2.7 28 -2.4 47 -0.5 0 0.0 10 63
50 A 50 PRO P E E AA + 27 0 -76.1 132.0 -180.0 178.7 26.6 131.7 0 0.0 58 -0.6 0 0.0 0 0.0 14 63
51 A 51 ASP D E E AAB - 26 57 -125.7 165.9 178.5 -91.9 33.2 142.1 26 -3.3 26 -1.9 0 0.0 0 0.0 14 46
52 A 52 LYS K t > T - 0 0 -72.5 163.1 178.4 -104.4 45.6 111.3 56 -2.8 55 -2.4 0 0.0 0 0.0 12 38
53 A 53 CYS C T T 3 TS+ 0 0 -62.4 -27.1 176.9 56.8 123.6 37.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
54 A 54 SER S T T 3 TS- 0 0 -79.9 -1.1 -177.4 -106.6 123.6 58.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
55 A 55 GLY G S t < TS+ 0 0 91.6 -5.0 178.6 145.5 73.7 65.4 52 -2.4 0 0.0 0 0.0 0 0.0 8 33
56 A 56 ALA A - 0 0 -64.2 143.0 -180.0 -108.1 54.8 113.0 0 0.0 52 -2.8 0 0.0 0 0.0 7 25
57 A 57 TYR Y B B B - 51 0 -71.9 161.0 175.4 -113.9 27.2 112.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
58 A 58 ALA A - 0 0 -77.2 170.7 173.3 -52.4 64.5 106.9 50 -0.6 0 0.0 0 0.0 0 0.0 11 34
59 A 59 PRO P t > T - 0 0 -42.2 125.6 -176.5 -130.9 52.9 102.9 0 0.0 62 -2.3 0 0.0 0 0.0 7 29
60 A 60 SER S T T 3 TS+ 0 0 -61.3 -19.4 178.3 54.7 106.6 43.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
61 A 61 GLY G T T 3 TS- 0 0 -95.5 18.7 180.0 -109.7 118.5 82.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
62 A 62 GLY G t < T - 0 0 81.0 -174.8 -177.5 -85.5 30.8 101.1 59 -2.3 0 0.0 0 0.0 0 0.0 14 38
63 A 63 CYS C S S S+ 0 0 -119.4 13.7 178.9 43.0 105.3 75.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38
64 A 64 ASP D - 0 0 -164.4 103.3 179.7 -178.1 49.5 135.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34
65 A 65 SER S S t > TS+ 0 0 -71.8 -33.5 -177.3 60.3 84.9 30.5 0 0.0 68 -1.3 0 0.0 0 0.0 7 27
66 A 66 ASN N T T 3 TS+ 0 0 -68.8 -20.8 177.6 45.0 110.0 38.7 0 0.0 0 0.0 0 0.0 0 0.0 4 25
67 A 67 ARG R T T 3 TS+ 0 0 -97.7 -2.5 178.3 116.5 85.2 67.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
68 A 68 ALA A t < T - 0 0 -61.4 158.0 -177.5 -173.7 44.8 103.5 65 -1.3 0 0.0 0 0.0 0 0.0 12 38
69 A 69 SER S - 0 0 -157.8 148.1 176.0 -168.0 37.8 176.2 0 0.0 0 0.0 0 0.0 0 0.0 8 38
70 A 70 SER S S S S+ 0 0 -118.7 13.2 -180.0 66.2 87.9 78.6 0 0.0 0 0.0 0 0.0 0 0.0 8 32
71 A 71 SER S h > > T + 0 0 -121.8 35.1 -176.6 133.3 54.1 96.9 0 0.0 75 -1.6 0 0.0 74 -0.6 8 31
72 A 72 ILE I H H > 3 T + 0 0 -63.9 -32.7 177.7 60.8 66.6 31.0 0 0.0 76 -2.3 0 0.0 0 0.0 11 47
73 A 73 ALA A H H > 3 TS+ 0 0 -61.4 -37.9 -178.9 41.2 109.6 26.5 0 0.0 77 -2.0 0 0.0 0 0.0 11 42
74 A 74 SER S H H > < TS+ 0 0 -82.4 -25.7 176.6 55.8 112.0 34.2 71 -0.6 78 -1.9 0 0.0 0 0.0 7 32
75 A 75 VAL V H H X TS+ 0 0 -67.6 -45.9 -179.5 38.2 115.1 22.3 71 -1.6 79 -1.9 0 0.0 0 0.0 9 39
76 A 76 ILE I H H X TS+ 0 0 -71.1 -40.3 179.3 57.9 112.2 19.9 72 -2.3 80 -3.2 0 0.0 0 0.0 14 42
77 A 77 LYS K H H < TS+ 0 0 -54.1 -43.5 -179.4 39.2 113.6 27.7 73 -2.0 0 0.0 0 0.0 0 0.0 10 30
78 A 78 SER S H H < TS+ 0 0 -80.2 -33.1 -178.9 42.9 119.8 33.2 74 -1.9 0 0.0 0 0.0 0 0.0 7 24
79 A 79 LYS K H H < TS+ 0 0 -81.3 -31.3 -178.9 8.6 132.5 31.7 75 -1.9 0 0.0 0 0.0 0 0.0 8 28
80 A 80 ASP D h X T - 0 0 -164.0 102.7 180.0 -176.6 51.0 128.9 76 -3.2 84 -2.8 0 0.0 0 0.0 9 29
81 A 81 SER S H H > TS+ 0 0 -59.5 -41.0 -178.1 52.1 90.2 33.9 0 0.0 85 -2.1 0 0.0 0 0.0 9 24
82 A 82 SER S H H > TS+ 0 0 -68.9 -44.9 179.2 48.8 109.4 16.9 0 0.0 86 -2.3 0 0.0 0 0.0 6 24
83 A 83 LEU L H H > TS+ 0 0 -60.3 -45.2 179.3 53.6 110.7 23.0 0 0.0 87 -2.0 0 0.0 0 0.0 12 39
84 A 84 TYR Y H H X TS+ 0 0 -55.2 -42.8 179.5 46.7 110.2 24.4 80 -2.8 88 -1.3 0 0.0 0 0.0 11 39
85 A 85 ASN N H H X TS+ 0 0 -67.1 -38.8 178.2 52.6 109.3 32.6 81 -2.1 89 -0.9 0 0.0 0 0.0 8 32
86 A 86 SER S H H X > TS+ 0 0 -65.1 -37.8 -179.4 55.5 106.4 25.1 82 -2.3 90 -2.9 0 0.0 89 -0.6 9 37
87 A 87 MET M H H X 3 TS+ 0 0 -64.3 -36.8 176.5 59.2 98.9 32.2 83 -2.0 91 -2.6 0 0.0 0 0.0 10 56
88 A 88 LEU L H H < 3 TS+ 0 0 -60.5 -31.2 177.8 36.1 116.7 34.2 84 -1.3 0 0.0 0 0.0 0 0.0 9 42
89 A 89 THR T H H < < TS+ 0 0 -86.9 -43.3 -176.7 23.3 132.2 30.0 85 -0.9 0 0.0 86 -0.6 0 0.0 11 42
90 A 90 TYR Y H H < TS+ 0 0 -104.8 -13.2 178.4 39.2 127.4 53.8 86 -2.9 45 -2.8 0 0.0 0 0.0 12 51
91 A 91 TRP W S h < TS+ 0 0 -128.7 41.1 174.8 158.3 74.6 102.2 87 -2.6 0 0.0 0 0.0 0 0.0 11 58
92 A 92 PRO P - 0 0 -63.7 147.3 175.1 -117.6 46.1 110.3 0 0.0 94 -0.6 0 0.0 0 0.0 13 46
93 A 93 SER S t > T - 0 0 -81.4 125.6 177.1 -147.6 15.9 137.5 0 0.0 96 -1.3 0 0.0 0 0.0 9 40
94 A 94 ASN N T T 3 TS+ 0 0 -76.2 7.7 178.3 57.8 95.7 67.6 92 -0.6 0 0.0 0 0.0 0 0.0 7 35
95 A 95 GLN Q T T 3 TS- 0 0 -122.6 20.4 178.2 -106.1 116.7 82.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
96 A 96 GLY G S t < TS+ 0 0 56.5 51.1 170.0 94.4 91.9 22.2 93 -1.3 0 0.0 0 0.0 0 0.0 6 24
97 A 97 ASN N h > T + 0 0 -168.3 88.2 -179.7 173.8 39.9 117.4 0 0.0 101 -1.9 0 0.0 0 0.0 8 24
98 A 98 ASN N H H > TS+ 0 0 -62.7 -50.7 -179.9 55.5 76.7 22.4 0 0.0 102 -3.2 0 0.0 0 0.0 10 40
99 A 99 ASN N H H > TS+ 0 0 -57.5 -40.4 179.5 45.9 110.4 26.2 0 0.0 103 -2.4 0 0.0 0 0.0 10 35
100 A 100 VAL V H H > TS+ 0 0 -68.5 -39.7 176.8 48.1 115.4 23.9 0 0.0 104 -2.0 0 0.0 0 0.0 8 31
101 A 101 PHE F H H X TS+ 0 0 -60.5 -60.5 -178.7 41.6 116.1 13.4 97 -1.9 105 -2.2 0 0.0 0 0.0 9 41
102 A 102 TRP W H H X TS+ 0 0 -61.3 -37.1 178.3 54.5 112.7 27.6 98 -3.2 106 -2.5 0 0.0 0 0.0 10 56
103 A 103 SER S H H X TS+ 0 0 -63.6 -40.9 178.1 48.3 109.6 22.1 99 -2.4 107 -2.7 0 0.0 0 0.0 14 49
104 A 104 HIS H H H X TS+ 0 0 -62.3 -48.4 -179.6 47.6 112.5 23.0 100 -2.0 108 -2.3 0 0.0 0 0.0 10 45
105 A 105 GLU E H H X >TS+ 0 0 -62.8 -40.8 176.5 44.2 116.2 26.3 101 -2.2 110 -2.1 0 0.0 109 -1.6 10 60
106 A 106 TRP W H H < >TS+ 0 0 -64.5 -60.1 -176.5 44.6 117.2 7.5 102 -2.5 111 -1.7 0 0.0 0 0.0 13 59
107 A 107 SER S H H < 5TS+ 0 0 -54.8 -40.4 -179.1 32.6 123.3 39.1 103 -2.7 0 0.0 0 0.0 0 0.0 16 45
108 A 108 LYS K H H < 5TS+ 0 0 -87.7 -36.9 -175.0 11.3 139.2 36.5 104 -2.3 0 0.0 0 0.0 0 0.0 14 42
109 A 109 HIS H T h < >5TS+ 0 0 -115.7 -41.6 179.3 59.4 118.8 39.9 105 -1.6 112 -0.9 0 0.0 0 0.0 14 58
110 A 110 GLY G G G > TS+ 0 0 -68.2 -20.7 176.5 69.1 78.1 44.1 112 -0.8 117 -1.4 0 0.0 0 0.0 12 54
115 A 115 THR T G G 3 TS+ 0 0 -68.7 -18.6 179.1 50.0 101.3 44.1 0 0.0 0 0.0 0 0.0 0 0.0 11 57
116 A 116 TYR Y G G < TS+ 0 0 -100.6 11.0 178.5 128.4 78.1 72.2 113 -1.5 0 0.0 0 0.0 0 0.0 12 53
117 A 117 ASP D S g X TS- 0 0 -61.6 139.1 179.7 -119.7 71.8 114.0 114 -1.4 120 -2.2 0 0.0 0 0.0 11 45
118 A 118 PRO P G G > TS+ 0 0 -55.8 -26.5 179.1 66.0 110.9 36.5 0 0.0 121 -1.4 0 0.0 0 0.0 8 34
119 A 119 ASP D G G 3 TS+ 0 0 -72.5 -9.0 177.4 64.3 91.8 50.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
120 A 120 CYS C G G < TS+ 0 0 -83.8 -16.9 -177.4 84.4 84.7 47.3 117 -2.2 122 -0.5 0 0.0 0 0.0 8 35
121 A 121 TYR Y g X T - 0 0 -91.2 126.9 -178.0 -153.3 67.9 139.5 118 -1.4 124 -0.6 0 0.0 0 0.0 8 28
122 A 122 ASP D T T 3 TS+ 0 0 -75.3 -6.5 177.9 22.3 95.8 56.2 120 -0.5 0 0.0 0 0.0 0 0.0 5 18
123 A 123 ASN N T T 3 TS- 0 0 -158.1 76.4 -177.4 -170.3 89.1 120.8 0 0.0 0 0.0 0 0.0 0 0.0 4 13
124 A 124 TYR Y t < T - 0 0 -85.6 136.2 176.1 -174.3 13.4 127.1 121 -0.6 0 0.0 0 0.0 0 0.0 8 19
125 A 125 GLU E t > T - 0 0 -123.7 135.0 -177.4 -86.0 45.5 164.5 0 0.0 128 -1.5 0 0.0 0 0.0 5 22
126 A 126 GLU E T T 3 TS+ 0 0 -42.4 128.0 180.0 23.0 112.2 90.7 0 0.0 0 0.0 0 0.0 0 0.0 5 30
127 A 127 GLY G T h > 3 TS+ 0 0 91.9 -0.3 178.2 116.2 85.5 60.5 0 0.0 131 -1.7 0 0.0 0 0.0 9 42
128 A 128 GLU E H H > < TS+ 0 0 -66.0 -45.3 179.9 47.1 77.0 20.2 125 -1.5 132 -2.1 0 0.0 0 0.0 9 38
129 A 129 ASP D H H > TS+ 0 0 -63.8 -43.6 179.0 53.8 109.1 26.5 0 0.0 133 -2.0 0 0.0 0 0.0 10 49
130 A 130 ILE I H H > TS+ 0 0 -58.9 -49.3 178.8 45.3 110.9 21.1 0 0.0 134 -2.3 0 0.0 0 0.0 11 60
131 A 131 VAL V H H X TS+ 0 0 -63.9 -43.4 177.6 55.3 109.9 25.0 127 -1.7 135 -2.9 0 0.0 0 0.0 12 50
132 A 132 ASP D H H X TS+ 0 0 -53.3 -48.7 179.4 45.5 111.6 21.2 128 -2.1 136 -2.7 0 0.0 0 0.0 9 48
133 A 133 TYR Y H H X TS+ 0 0 -62.6 -55.1 179.9 44.1 114.6 20.1 129 -2.0 137 -2.2 0 0.0 0 0.0 10 63
134 A 134 PHE F H H X TS+ 0 0 -61.1 -40.0 177.9 49.1 116.8 20.6 130 -2.3 138 -2.1 0 0.0 0 0.0 9 66
135 A 135 GLN Q H H X TS+ 0 0 -66.3 -43.0 179.1 53.3 107.6 20.2 131 -2.9 139 -2.5 0 0.0 0 0.0 9 50
136 A 136 LYS K H H X TS+ 0 0 -58.2 -44.4 179.5 46.5 111.8 23.1 132 -2.7 140 -1.9 0 0.0 0 0.0 8 51
137 A 137 ALA A H H X TS+ 0 0 -65.7 -40.6 178.8 51.0 110.3 26.9 133 -2.2 141 -2.4 0 0.0 0 0.0 11 58
138 A 138 MET M H H X TS+ 0 0 -61.2 -43.3 177.6 51.1 110.3 21.2 134 -2.1 142 -2.0 0 0.0 0 0.0 11 50
139 A 139 ASP D H H X TS+ 0 0 -59.4 -44.5 179.2 48.9 109.9 24.7 135 -2.5 143 -3.0 0 0.0 0 0.0 8 40
140 A 140 LEU L H H X TS+ 0 0 -65.5 -41.7 178.2 53.0 107.9 25.1 136 -1.9 144 -2.8 0 0.0 0 0.0 9 49
141 A 141 ARG R H H < TS+ 0 0 -59.9 -38.8 178.3 44.5 115.3 28.6 137 -2.4 0 0.0 0 0.0 0 0.0 13 54
142 A 142 SER S H H < TS+ 0 0 -66.8 -50.2 -177.5 45.1 114.9 18.0 138 -2.0 0 0.0 0 0.0 0 0.0 7 40
143 A 143 GLN Q H H < TS+ 0 0 -68.2 -33.7 -179.8 53.8 111.9 32.0 139 -3.0 145 -1.0 0 0.0 0 0.0 6 36
144 A 144 TYR Y S h < TS- 0 0 -103.7 70.6 179.6 -176.2 76.8 119.1 140 -2.8 146 -1.2 0 0.0 0 0.0 6 51
145 A 145 ASN N h > T + 0 0 -71.6 97.3 179.6 177.1 12.0 116.7 143 -1.0 149 -2.2 0 0.0 0 0.0 10 47
146 A 146 VAL V H H > TS+ 0 0 -69.0 -33.8 177.3 59.6 80.8 30.6 144 -1.2 150 -1.9 0 0.0 0 0.0 9 60
147 A 147 TYR Y H H > TS+ 0 0 -61.7 -40.0 178.9 45.5 108.0 25.0 0 0.0 151 -2.4 0 0.0 0 0.0 10 57
148 A 148 LYS K H H > TS+ 0 0 -69.7 -45.6 176.1 56.6 108.7 23.5 0 0.0 152 -2.4 0 0.0 0 0.0 7 36
149 A 149 ALA A H H < TS+ 0 0 -52.4 -41.8 179.8 40.7 113.6 27.0 145 -2.2 0 0.0 0 0.0 0 0.0 12 39
150 A 150 PHE F H H < >>TS+ 0 0 -74.8 -49.5 -178.2 48.0 115.5 16.3 146 -1.9 155 -2.2 0 0.0 153 -1.3 13 50
151 A 151 SER S H H < >5TS+ 0 0 -58.9 -41.5 179.7 58.4 105.1 28.8 147 -2.4 154 -2.2 0 0.0 0 0.0 9 34
152 A 152 SER S T h < 35TS+ 0 0 -63.4 -18.3 179.9 45.2 110.0 46.3 148 -2.4 0 0.0 0 0.0 0 0.0 7 25
153 A 153 ASN N T T <5TS- 0 0 -114.9 27.2 179.6 -96.2 131.5 87.4 150 -1.3 0 0.0 0 0.0 0 0.0 7 28
154 A 154 GLY G T T <5TS+ 0 0 67.1 33.4 179.7 131.5 82.5 39.1 151 -2.2 156 -0.6 0 0.0 0 0.0 6 28
155 A 155 ILE I t BC > T - 216 0 -97.0 146.3 179.4 -129.7 21.3 139.6 0 0.0 166 -1.9 0 0.0 165 -0.7 10 35
163 A 163 ALA A H H > 3 TS+ 0 0 -56.1 -29.0 -178.3 59.6 110.5 32.8 215 -3.3 167 -2.3 0 0.0 0 0.0 11 42
164 A 164 THR T H H > 3 TS+ 0 0 -70.1 -40.8 179.7 43.9 105.3 27.5 0 0.0 168 -1.6 0 0.0 0 0.0 8 37
165 A 165 GLU E H H > < TS+ 0 0 -76.9 -29.6 176.9 56.9 111.4 36.1 162 -0.7 169 -1.5 0 0.0 0 0.0 8 39
166 A 166 MET M H H X TS+ 0 0 -63.7 -48.2 177.1 47.2 107.0 24.7 162 -1.9 170 -1.8 0 0.0 0 0.0 11 56
167 A 167 GLN Q H H X TS+ 0 0 -63.2 -40.1 179.3 54.8 109.2 25.9 163 -2.3 171 -3.3 0 0.0 0 0.0 11 49
168 A 168 SER S H H X TS+ 0 0 -64.7 -32.9 -178.6 50.1 107.7 29.8 164 -1.6 172 -2.8 0 0.0 0 0.0 8 38
169 A 169 ALA A H H X TS+ 0 0 -71.3 -39.5 176.5 41.4 115.0 24.7 165 -1.5 173 -2.0 0 0.0 0 0.0 11 37
170 A 170 ILE I H H X >TS+ 0 0 -67.1 -54.3 178.1 49.3 118.2 17.4 166 -1.8 174 -2.7 0 0.0 175 -0.7 15 52
171 A 171 GLU E H H X 5TS+ 0 0 -53.2 -51.3 179.7 40.5 116.0 21.7 167 -3.3 175 -2.1 0 0.0 0 0.0 11 40
172 A 172 SER S H H < 5TS+ 0 0 -69.0 -37.5 -178.6 46.4 118.2 30.9 168 -2.8 0 0.0 0 0.0 0 0.0 8 30
173 A 173 TYR Y H H < 5TS+ 0 0 -72.5 -43.7 -175.7 17.9 131.1 21.2 169 -2.0 0 0.0 0 0.0 0 0.0 7 30
174 A 174 PHE F H H < 5TS- 0 0 -103.1 -18.6 177.9 -122.5 98.3 50.6 170 -2.7 0 0.0 0 0.0 0 0.0 7 39
175 A 175 GLY G S h < TS- 186 0 -134.1 122.6 -178.0 -15.3 88.9 169.9 186 -2.3 186 -2.1 0 0.0 0 0.0 8 26
184 A 184 SER S T T 3 TS- 0 0 48.1 40.9 179.4 -55.0 129.4 27.7 0 0.0 0 0.0 0 0.0 0 0.0 4 23
185 A 185 GLY G T T 3 TS+ 0 0 70.5 15.0 178.6 115.1 115.4 48.3 0 0.0 218 -2.2 0 0.0 0 0.0 10 30
186 A 186 THR T E E AcD< TS- 218 183 -112.9 142.3 179.8 -107.4 74.8 155.9 183 -2.1 183 -2.3 0 0.0 0 0.0 10 36
187 A 187 LEU L E E A D + 0 182 -68.5 139.5 176.0 158.3 47.6 116.2 218 -3.0 0 0.0 0 0.0 0 0.0 14 52
188 A 188 SER S E E A * + 0 0 -129.0 -36.4 -175.6 11.0 54.7 49.8 181 -2.7 33 -2.5 0 0.0 0 0.0 11 48
189 A 189 ASP D E E ABD - 32 181 -148.2 156.8 178.9 -165.2 44.8 166.0 181 -1.7 181 -2.5 0 0.0 0 0.0 11 59
190 A 190 VAL V E E ABD - 31 180 -139.1 129.0 178.2 -165.7 14.7 171.8 31 -2.6 31 -2.6 0 0.0 0 0.0 11 65
191 A 191 ALA A E E ABD - 30 179 -126.6 139.5 179.9 -160.3 5.9 168.2 179 -2.0 179 -2.3 0 0.0 0 0.0 12 62
192 A 192 LEU L E E AB - 29 0 -115.4 133.4 -178.3 -140.7 15.0 160.9 29 -2.0 29 -3.2 0 0.0 0 0.0 14 62
193 A 193 TYR Y E E ABE - 28 205 -97.8 144.2 -176.8 -174.6 23.7 137.7 205 -0.7 205 -2.2 0 0.0 0 0.0 14 57
194 A 194 PHE F E E ABE - 27 204 -140.8 165.6 174.8 -153.1 25.1 153.9 27 -2.4 27 -2.0 0 0.0 0 0.0 12 57
195 A 195 TYR Y E E ABE - 26 203 -126.1 158.9 -179.2 -122.8 31.4 144.9 203 -2.1 203 -3.0 0 0.0 0 0.0 14 51
196 A 196 VAL V E E A E - 0 202 -116.0 136.2 178.6 -156.6 12.8 159.5 25 -0.5 9 -2.5 0 0.0 198 -0.6 15 54
197 A 197 ARG R E E >AAE TS- 8 201 -110.7 116.6 -179.5 -26.8 71.1 161.7 201 -3.0 201 -1.5 0 0.0 0 0.0 14 42
198 A 198 GLY G T T 4 TS- 0 0 75.6 -148.7 179.5 -27.7 123.9 115.4 7 -2.7 0 0.0 196 -0.6 0 0.0 14 42
199 A 199 ARG R T T 4 TS- 0 0 -64.3 -47.4 -173.6 -16.3 133.8 18.0 0 0.0 0 0.0 0 0.0 0 0.0 13 46
200 A 200 ASP D T T 4 TS+ 0 0 -157.6 36.3 177.0 126.8 83.5 85.8 0 0.0 202 -0.7 0 0.0 0 0.0 7 57
201 A 201 THR T E E 33< >33< >33< >33< >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 BBBBBBB B bridge-2
bridge-1 A AAAAAAA AA*AAAAA B bridge-1
sheets AAAAAAA AAAAAAAA sheets
4-turns >444< >>>>XX<<>>XXXX<<<< >>>> 4-turns
summary tTTtBSStTTt StTTTt SSeEEEEEEEetTTtStTTt EEEEEEEEtTTt B tTTtS tTTt ShHHHHHHHHhHHHHHHHHHHh tTTthHHH summary
sequence SSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHTGGG GGGSGGG TT TTHHHHHHHHHHHHHHHHS HHHHHHTTT SSEEEEHHHHHHHHHHHHSS EEEEETTEEEEEEEEEEEETTT Kabs/Sand
chirality ++++++++++++-+++-+++-+---++++++++++++++++++-++++++++-++-++-+--+++++++++++-+---------+-++-----------+ chirality
bends SSSSSSSSSSSS SSSSSSS SS SSSSSSSSSSSSSSSSSSS SSSSSSSSS SSS SSSSSSSSSSSSSS SSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTT TTTT turns
5-turns >>555<< >5555< >5555< 5-turns
3-turns >>33333< >>3<< >33< >33< 3-turns
bridge-2 DD*DDD EEEEE bridge-2
bridge-1 CCCC DDDDD c BBBBBBB A bridge-1
sheets BBBB AAAAA AAAAAAAAAAAA sheets
4-turns XXXXX<<<< >>>>XXXXXXXXXX<<<<>>>><<<< >>>>XXXXXX<<<< >444 4-turns
summary HHHHHHHHhGGGgGGGgGGGgTTttThHHHHHHHHHHHHHHHHhhHHHHHHhTTt SSEEEEHHHHHHHHHHHHhS EEEEETTEEEEEEEEEEEETTT summary
sequence FWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEE S S SEEEE Kabs/Sand
chirality ---+---+---++------- chirality
bends S S S bends
turns T turns
5-turns 5-turns
3-turns 3-turns
bridge-2 c bridge-2
bridge-1 EEEEE CCCC bridge-1
sheets AAAAA BBBB sheets
4-turns < 4-turns
summary EEEEE S S eEEEE summary
sequence TYVITDALSTGSCSGDVEYPTK sequence
210 220