Secondary structure calculation program - copyright by David Keith Smith, 1989
1poiB.pdb
1POI TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 260
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 B 3 ASP D 0 0 999.9 67.0 -176.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 30
2 B 4 TYR Y - 0 0 -128.8 -123.7 -178.5 -54.4 999.9 83.5 0 0.0 0 0.0 0 0.0 0 0.0 8 23
3 B 5 THR T S S S+ 0 0 -115.7 6.1 179.3 97.2 98.3 74.3 0 0.0 5 -1.3 0 0.0 0 0.0 6 27
4 B 6 ASN N - 0 0 -96.1 76.6 -179.2 -177.7 59.9 132.8 0 0.0 0 0.0 0 0.0 0 0.0 6 29
5 B 7 TYR Y - 0 0 -79.3 146.0 179.5 -132.3 18.7 121.1 3 -1.3 0 0.0 0 0.0 0 0.0 9 38
6 B 8 THR T h > T - 0 0 -89.8 165.7 179.4 -109.9 23.9 119.2 0 0.0 10 -2.0 0 0.0 0 0.0 8 43
7 B 9 ASN N H H > TS+ 0 0 -64.0 -38.5 178.1 52.6 120.5 25.4 0 0.0 11 -2.3 0 0.0 0 0.0 7 46
8 B 10 LYS K H H > TS+ 0 0 -63.0 -40.3 178.3 50.1 108.4 28.7 0 0.0 12 -3.4 0 0.0 0 0.0 9 52
9 B 11 GLU E H H > TS+ 0 0 -66.0 -36.5 179.1 54.4 107.3 30.1 0 0.0 13 -1.8 0 0.0 0 0.0 12 60
10 B 12 MET M H H X TS+ 0 0 -61.2 -46.5 179.6 42.0 114.3 15.2 6 -2.0 14 -2.3 0 0.0 0 0.0 12 60
11 B 13 GLN Q H H X TS+ 0 0 -64.4 -51.4 179.8 51.8 112.3 19.7 7 -2.3 15 -2.5 0 0.0 0 0.0 14 60
12 B 14 ALA A H H X TS+ 0 0 -58.1 -27.4 179.0 46.9 113.1 39.4 8 -3.4 16 -1.6 0 0.0 0 0.0 12 68
13 B 15 VAL V H H X TS+ 0 0 -80.0 -42.8 179.7 50.1 111.0 25.6 9 -1.8 17 -1.5 0 0.0 0 0.0 11 62
14 B 16 THR T H H < TS+ 0 0 -62.6 -34.8 177.9 51.7 110.4 33.5 10 -2.3 0 0.0 0 0.0 0 0.0 9 60
15 B 17 ILE I H H < > TS+ 0 0 -62.9 -56.9 -178.8 50.4 108.9 7.6 11 -2.5 18 -2.7 0 0.0 0 0.0 12 70
16 B 18 ALA A H H < > TS+ 0 0 -55.5 -25.5 178.2 63.3 100.7 45.4 12 -1.6 19 -0.6 0 0.0 0 0.0 13 63
17 B 19 LYS K T h < 3 TS+ 0 0 -76.6 -8.1 -178.4 56.3 99.7 55.2 13 -1.5 0 0.0 0 0.0 0 0.0 9 48
18 B 20 GLN Q T T < TS+ 0 0 -97.6 -14.0 -179.3 98.0 79.3 54.4 15 -2.7 20 -1.0 0 0.0 0 0.0 6 59
19 B 21 ILE I t < T - 0 0 -80.6 102.4 177.3 -153.9 64.3 131.7 16 -0.6 0 0.0 0 0.0 0 0.0 13 49
20 B 22 LYS K t > T - 0 0 -67.7 163.2 -178.9 -86.1 33.2 107.9 18 -1.0 23 -0.7 0 0.0 0 0.0 9 37
21 B 23 ASN N T T 3 TS+ 0 0 -76.9 140.1 -179.5 13.3 106.5 118.7 0 0.0 0 0.0 0 0.0 0 0.0 9 30
22 B 24 GLY G T T 3 TS+ 0 0 83.9 -14.7 -179.3 126.4 92.6 77.1 0 0.0 0 0.0 0 0.0 0 0.0 10 32
23 B 25 GLN Q e < T - 0 0 -77.7 157.4 180.0 -112.6 63.6 109.4 20 -0.7 48 -2.4 0 0.0 0 0.0 12 43
24 B 26 VAL V E E Aab - 48 100 -93.2 130.8 -176.3 -159.5 30.1 144.3 99 -2.8 101 -2.5 0 0.0 26 -0.5 11 58
25 B 27 VAL V E E Aab - 49 101 -119.3 120.1 178.0 -157.7 8.1 159.4 48 -3.4 50 -2.7 0 0.0 27 -0.6 14 67
26 B 28 THR T E E Aab + 50 102 -94.3 123.1 179.1 155.2 31.4 148.8 101 -2.4 103 -2.1 24 -0.5 0 0.0 12 74
27 B 29 VAL V e - 0 0 -141.4 169.5 177.6 -156.0 32.4 155.5 50 -1.4 0 0.0 25 -0.6 0 0.0 14 68
28 B 30 GLY G - 0 0 -109.6 -112.0 176.6 -71.5 50.2 65.2 0 0.0 0 0.0 0 0.0 0 0.0 11 59
29 B 31 THR T S S S+ 0 0 -132.8 -168.7 -180.0 61.6 91.0 128.8 0 0.0 0 0.0 0 0.0 0 0.0 12 55
30 B 32 GLY G S h > TS- 0 0 82.6 -160.5 -178.4 -20.8 112.8 113.7 0 0.0 34 -1.7 0 0.0 0 0.0 8 56
31 B 33 LEU L H H > TS+ 0 0 -56.4 -45.0 -179.8 56.4 133.7 28.6 0 0.0 35 -2.9 0 0.0 0 0.0 10 59
32 B 34 PRO P H H > TS+ 0 0 -57.6 -35.4 -179.6 51.0 107.3 23.4 0 0.0 36 -2.6 0 0.0 0 0.0 13 69
33 B 35 LEU L H H > TS+ 0 0 -66.4 -41.5 178.7 49.2 110.0 25.0 0 0.0 37 -3.0 0 0.0 0 0.0 10 68
34 B 36 ILE I H H X TS+ 0 0 -58.5 -57.5 179.6 47.5 113.2 5.8 30 -1.7 38 -2.1 0 0.0 0 0.0 14 71
35 B 37 GLY G H H X TS+ 0 0 -51.5 -40.8 179.8 49.6 111.6 34.0 31 -2.9 39 -2.1 0 0.0 0 0.0 14 70
36 B 38 ALA A H H X TS+ 0 0 -64.2 -49.2 179.4 51.5 110.2 13.4 32 -2.6 40 -3.2 0 0.0 0 0.0 14 70
37 B 39 SER S H H X TS+ 0 0 -54.9 -36.4 179.0 48.1 111.4 36.3 33 -3.0 41 -1.4 0 0.0 0 0.0 11 69
38 B 40 VAL V H H X >TS+ 0 0 -74.2 -40.5 178.7 42.9 114.6 30.5 34 -2.1 42 -2.1 0 0.0 43 -0.7 15 59
39 B 41 ALA A H H < >TS+ 0 0 -68.4 -48.2 179.2 54.9 112.5 16.7 35 -2.1 44 -2.4 0 0.0 0 0.0 13 50
40 B 42 LYS K H H < 5TS+ 0 0 -49.1 -44.3 -179.6 41.7 114.5 28.7 36 -3.2 0 0.0 0 0.0 0 0.0 12 49
41 B 43 ARG R H H < 5TS- 0 0 -77.3 -36.4 -178.8 -4.2 138.2 34.1 37 -1.4 0 0.0 0 0.0 0 0.0 8 46
42 B 44 VAL V T h < 5TS+ 0 0 -124.7 -59.9 -177.5 39.9 127.5 44.4 38 -2.1 0 0.0 0 0.0 0 0.0 7 37
43 B 45 TYR Y T T A C> T - 0 55 -121.3 143.0 -178.2 -116.1 24.5 162.8 55 -2.2 54 -1.9 0 0.0 55 -1.2 12 63
52 B 54 GLU E T T 4 3 TS+ 0 0 -46.1 -14.2 178.6 69.0 107.0 59.5 0 0.0 0 0.0 0 0.0 0 0.0 13 56
53 B 55 SER S T T 4 3 TS- 0 0 -89.7 8.7 -179.9 -95.3 124.3 74.1 0 0.0 0 0.0 0 0.0 0 0.0 9 46
54 B 56 GLY G T e 4 < TS+ 0 0 91.1 18.0 179.5 145.8 75.7 48.8 51 -1.9 80 -2.5 0 0.0 56 -0.7 13 44
55 B 57 LEU L E E TS- 0 0 -134.1 151.2 179.1 -110.2 85.7 165.7 0 0.0 69 -2.0 0 0.0 0 0.0 7 35
67 B 69 VAL V T T 3 TS+ 0 0 -67.1 13.6 178.7 50.0 116.9 73.1 0 0.0 0 0.0 0 0.0 0 0.0 11 47
68 B 70 GLY G T T 3 TS+ 0 0 -132.6 13.0 -179.5 134.0 82.0 79.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
69 B 71 ASP D h > X T - 0 0 -62.9 152.5 175.7 -124.5 67.6 102.2 66 -2.0 73 -2.7 0 0.0 72 -1.4 9 32
70 B 72 LEU L H H > 3 TS+ 0 0 -69.3 -19.5 179.2 75.9 111.1 41.9 0 0.0 74 -2.4 0 0.0 0 0.0 8 29
71 B 73 ARG R H H 4 3 TS+ 0 0 -60.8 -26.8 179.0 24.7 111.0 34.5 0 0.0 0 0.0 0 0.0 0 0.0 11 39
72 B 74 PHE F H H 4 X TS+ 0 0 -98.5 -54.3 -178.3 58.6 119.3 34.0 69 -1.4 75 -1.9 0 0.0 0 0.0 14 42
73 B 75 MET M H H < 3 TS+ 0 0 -46.3 -45.5 -178.8 45.2 108.3 33.6 69 -2.7 0 0.0 0 0.0 0 0.0 10 35
74 B 76 ALA A T h < 3 TS+ 0 0 -81.1 -5.5 -179.2 49.5 116.2 57.5 70 -2.4 0 0.0 0 0.0 0 0.0 6 29
75 B 77 HIS H S e < TS+ 0 0 -134.4 64.0 179.0 92.6 89.7 120.0 72 -1.9 59 -2.7 0 0.0 0 0.0 11 33
76 B 78 CYS C E E AD S- 58 0 -145.0 167.3 179.4 -124.7 70.2 152.7 0 0.0 0 0.0 0 0.0 0 0.0 13 40
77 B 79 GLY G E E A* S+ 0 0 -85.4 -39.7 -179.8 17.2 93.8 30.7 56 -2.1 0 0.0 57 -1.1 0 0.0 8 28
78 B 80 CYS C E E AD - 56 0 -141.3 126.3 178.4 -152.5 58.8 166.4 56 -2.5 56 -3.5 0 0.0 80 -1.1 7 30
79 B 81 ILE I E E AD + 55 0 -95.2 90.5 -179.2 176.6 33.0 138.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
80 B 82 TRP W e - 0 0 -94.4 162.5 179.4 -97.4 35.1 119.8 54 -2.5 0 0.0 78 -1.1 0 0.0 9 31
81 B 83 PRO P h > > T - 0 0 -72.5 150.8 -179.2 -109.8 40.6 115.9 0 0.0 85 -1.0 0 0.0 84 -0.6 8 25
82 B 84 ASN N H H > > TS+ 0 0 -47.9 -49.4 -177.6 60.9 116.1 24.8 0 0.0 86 -1.4 0 0.0 85 -1.4 9 28
83 B 85 VAL V H H > 3 TS+ 0 0 -49.4 -43.1 178.5 55.8 98.3 29.0 0 0.0 87 -2.8 0 0.0 0 0.0 7 24
84 B 86 ARG R H H > < TS+ 0 0 -61.6 -30.1 177.0 57.7 103.1 35.1 81 -0.6 88 -2.3 0 0.0 0 0.0 9 26
85 B 87 PHE F H H X < TS+ 0 0 -64.2 -49.1 178.1 42.2 109.4 20.4 82 -1.4 89 -2.5 81 -1.0 0 0.0 13 46
86 B 88 VAL V H H X TS+ 0 0 -63.3 -37.9 178.8 54.6 113.6 27.4 82 -1.4 90 -1.9 0 0.0 0 0.0 10 38
87 B 89 GLY G H H X TS+ 0 0 -61.2 -35.6 179.5 51.2 108.5 25.5 83 -2.8 91 -2.2 0 0.0 0 0.0 8 31
88 B 90 PHE F H H X TS+ 0 0 -67.8 -54.7 -178.3 48.1 106.9 17.9 84 -2.3 92 -2.2 0 0.0 0 0.0 8 46
89 B 91 GLU E H H X TS+ 0 0 -58.0 -36.8 179.5 47.7 114.8 27.2 85 -2.5 93 -0.9 0 0.0 0 0.0 11 53
90 B 92 ILE I H H X > TS+ 0 0 -65.8 -54.6 179.4 49.8 110.5 15.4 86 -1.9 94 -2.0 0 0.0 93 -1.2 9 41
91 B 93 ASN N H H X 3 TS+ 0 0 -54.1 -37.4 177.0 61.3 103.0 34.3 87 -2.2 95 -4.3 0 0.0 0 0.0 8 27
92 B 94 GLU E H H X 3>TS+ 0 0 -55.2 -39.9 179.7 45.5 108.0 28.7 88 -2.2 97 -2.0 0 0.0 96 -0.9 11 36
93 B 95 TYR Y H H < <5TS+ 0 0 -70.2 -42.3 -179.4 46.0 115.4 27.0 90 -1.2 0 0.0 89 -0.9 0 0.0 11 33
94 B 96 LEU L H H < 5TS+ 0 0 -69.4 -37.9 179.9 46.8 114.7 24.2 90 -2.0 0 0.0 0 0.0 0 0.0 7 23
95 B 97 HIS H H H < 5TS- 0 0 -75.9 -17.2 -178.3 -135.6 101.9 46.1 91 -4.3 0 0.0 0 0.0 0 0.0 6 19
96 B 98 LYS K T h < 5T + 0 0 61.5 37.1 -178.8 157.5 47.9 30.7 92 -0.9 0 0.0 0 0.0 0 0.0 6 22
97 B 99 ALA A t T - 0 0 -129.4 172.4 -179.7 -76.3 43.8 144.6 114 -1.0 113 -3.0 0 0.0 0 0.0 12 62
111 B 113 PRO P T T 3 TS+ 0 0 -40.0 -28.5 -178.5 45.9 129.2 48.2 0 0.0 205 -2.2 0 0.0 0 0.0 11 60
112 B 114 TYR Y T T 3 TS- 0 0 -107.9 19.7 177.0 -106.4 116.8 84.9 0 0.0 168 -2.9 0 0.0 0 0.0 14 60
113 B 115 GLY G t < T + 0 0 72.6 8.6 178.6 154.1 63.0 55.5 110 -3.0 0 0.0 0 0.0 0 0.0 14 74
114 B 116 ASN N e - 0 0 -68.6 135.6 -177.4 -153.4 31.9 125.0 0 0.0 110 -1.0 0 0.0 0 0.0 15 66
115 B 117 VAL V E E BFB - 109 165 -119.1 151.0 177.2 -154.2 16.1 147.6 165 -2.8 165 -1.9 0 0.0 164 -0.8 17 64
116 B 118 ASN N E E BF + 108 0 -123.2 126.9 179.8 147.2 30.1 171.0 108 -1.9 107 -3.1 0 0.0 108 -1.1 15 58
117 B 119 SER S + 0 0 -145.0 25.3 -179.5 75.3 63.4 92.3 0 0.0 132 -1.2 0 0.0 0 0.0 13 50
118 B 120 THR T S e S- 0 0 -105.9 -53.8 -179.3 -26.5 103.6 36.4 0 0.0 130 -2.5 0 0.0 0 0.0 11 37
119 B 121 SER S E E CG - 129 0 -165.8 156.4 178.5 -128.0 42.4 176.3 0 0.0 121 -0.5 0 0.0 0 0.0 15 35
120 B 122 ILE I E E CG S+ 128 0 -109.9 122.6 -179.7 9.0 82.9 162.3 128 -3.1 128 -2.2 0 0.0 127 -1.5 12 33
121 B 123 GLY G E E CG S- 126 0 112.3 -149.9 177.9 -4.8 120.7 144.5 119 -0.5 0 0.0 0 0.0 0 0.0 9 27
122 B 124 ASP D e - 0 0 -80.0 132.7 -178.1 -136.0 63.9 135.7 125 -0.9 0 0.0 0 0.0 0 0.0 9 22
123 B 125 TYR Y S S S+ 0 0 -62.7 -22.5 -178.4 48.6 105.8 42.0 0 0.0 0 0.0 0 0.0 0 0.0 9 24
124 B 126 HIS H S S S+ 0 0 -88.0 -31.0 179.3 14.9 132.3 34.7 0 0.0 0 0.0 0 0.0 0 0.0 4 15
125 B 127 HIS H S e S- 0 0 -144.7 77.0 -178.9 -170.2 91.6 133.0 0 0.0 122 -0.9 0 0.0 0 0.0 6 14
126 B 128 PRO P E E CG - 121 0 -78.0 142.8 176.7 -142.6 31.0 118.7 0 0.0 0 0.0 0 0.0 0 0.0 10 20
127 B 129 LYS K E E C* S+ 0 0 -64.0 -49.9 178.7 16.4 97.2 15.8 120 -1.5 0 0.0 0 0.0 0 0.0 8 21
128 B 130 THR T E E CG S- 120 0 -132.9 129.7 -178.9 -153.4 73.1 171.2 120 -2.2 120 -3.1 0 0.0 130 -0.5 7 24
129 B 131 ARG R E E CG - 119 0 -105.0 120.6 -179.7 -173.5 12.6 151.6 0 0.0 0 0.0 0 0.0 0 0.0 9 25
130 B 132 PHE F e - 0 0 -94.1 -165.9 179.1 -86.7 45.9 90.5 118 -2.5 0 0.0 128 -0.5 0 0.0 7 30
131 B 133 THR T - 0 0 -74.4 -33.8 -177.9 -129.1 66.3 33.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
132 B 134 GLY G - 0 0 120.9 -154.9 -176.3 -29.5 47.8 146.0 117 -1.2 0 0.0 0 0.0 0 0.0 9 33
133 B 135 SER S t > T + 0 0 -71.7 -46.9 -176.8 171.1 59.6 30.8 0 0.0 136 -1.9 0 0.0 0 0.0 10 35
134 B 136 GLY G T T 3 TS- 0 0 63.4 -142.6 178.9 -35.8 78.8 115.4 0 0.0 0 0.0 0 0.0 0 0.0 6 41
135 B 137 GLY G T h > 3 TS+ 0 0 -93.3 8.2 -177.4 102.2 116.0 68.9 0 0.0 139 -2.1 0 0.0 0 0.0 7 51
136 B 138 ALA A H H > < TS+ 0 0 -58.7 -39.6 -178.6 53.7 77.7 29.0 133 -1.9 140 -2.4 0 0.0 0 0.0 10 59
137 B 139 ASN N H H > TS+ 0 0 -64.9 -40.7 178.4 46.8 108.7 28.8 0 0.0 141 -1.0 0 0.0 0 0.0 11 50
138 B 140 GLY G H H > > TS+ 0 0 -63.8 -50.9 177.4 51.3 112.8 14.2 0 0.0 142 -2.8 0 0.0 141 -0.9 9 55
139 B 141 ILE I H H X 3 TS+ 0 0 -50.1 -51.5 -179.5 43.1 113.4 26.4 135 -2.1 143 -2.3 0 0.0 0 0.0 13 67
140 B 142 ALA A H H < 3 TS+ 0 0 -75.2 -12.7 178.8 52.3 113.9 52.9 136 -2.4 0 0.0 0 0.0 0 0.0 15 60
141 B 143 THR T H H < < TS+ 0 0 -86.7 -42.6 -179.6 16.8 128.3 27.3 137 -1.0 0 0.0 138 -0.9 0 0.0 12 55
142 B 144 TYR Y H H < TS+ 0 0 -111.0 -1.8 -178.8 68.5 114.7 63.7 138 -2.8 0 0.0 0 0.0 0 0.0 12 53
143 B 145 SER S S h < TS- 0 0 -126.6 155.0 175.3 -116.0 74.5 150.4 139 -2.3 0 0.0 0 0.0 0 0.0 14 57
144 B 146 ASN N e - 0 0 -78.4 127.7 -176.0 -153.3 51.8 136.3 0 0.0 102 -2.2 0 0.0 0 0.0 13 61
145 B 147 THR T E E Aeh - 102 186 -116.4 165.0 176.4 -155.9 31.7 139.3 185 -2.0 187 -3.4 0 0.0 188 -1.3 14 67
146 B 148 ILE I E E Aeh - 103 188 -130.1 119.2 -177.5 -144.5 29.1 175.4 102 -2.8 104 -1.9 0 0.0 148 -0.6 13 69
147 B 149 ILE I E E Aeh - 104 189 -99.9 120.8 178.8 -148.7 2.2 149.2 188 -2.5 190 -2.3 0 0.0 149 -0.7 13 74
148 B 150 MET M E E A h + 0 190 -85.2 115.0 -178.8 164.9 33.4 137.2 104 -2.9 0 0.0 146 -0.6 0 0.0 12 64
149 B 151 MET M e - 0 0 -139.4 148.1 176.6 -122.1 41.3 165.4 190 -1.7 0 0.0 147 -0.7 0 0.0 12 59
150 B 152 GLN Q - 0 0 -78.4 137.4 -177.8 -126.9 33.8 132.0 0 0.0 152 -1.4 0 0.0 0 0.0 8 49
151 B 153 HIS H + 0 0 -88.0 54.3 -179.9 139.1 57.5 100.3 0 0.0 0 0.0 0 0.0 0 0.0 12 52
152 B 154 GLU E t > > T - 0 0 -95.3 143.8 -179.4 -129.3 59.7 133.0 150 -1.4 155 -2.2 0 0.0 156 -1.2 9 37
153 B 155 LYS K T T 4 3 TS+ 0 0 -58.8 -32.1 -179.1 58.6 110.6 30.2 0 0.0 0 0.0 0 0.0 0 0.0 10 32
154 B 156 ARG R T T 4 3 TS+ 0 0 -77.0 -2.3 179.6 49.5 105.9 63.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35
155 B 157 ARG R T T 4 < TS+ 0 0 -106.2 -24.7 179.6 67.9 98.0 50.6 152 -2.2 109 -2.9 0 0.0 157 -1.2 12 48
156 B 158 PHE F B B < a TS+ 109 0 -99.6 79.3 -177.4 169.1 75.4 131.6 152 -1.2 224 -0.5 0 0.0 0 0.0 15 54
157 B 159 MET M - 0 0 -95.5 149.4 176.4 -131.2 47.4 127.7 109 -1.5 0 0.0 155 -1.2 0 0.0 14 42
158 B 160 ASN N S S S+ 0 0 -64.5 -25.8 -179.7 15.3 104.3 43.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
159 B 161 LYS K S S S- 0 0 -152.0 123.5 -178.4 -139.3 83.1 154.9 0 0.0 0 0.0 0 0.0 0 0.0 6 40
160 B 162 ILE I - 0 0 -83.9 171.4 -178.3 -118.0 20.0 106.1 0 0.0 0 0.0 0 0.0 0 0.0 12 43
161 B 163 ASP D S S S- 0 0 -81.7 -14.9 -178.6 -2.2 94.0 56.6 0 0.0 0 0.0 0 0.0 0 0.0 11 40
162 B 164 TYR Y - 0 0 -177.3 134.5 -179.3 -134.2 62.2 144.0 0 0.0 164 -1.0 0 0.0 0 0.0 10 43
163 B 165 VAL V + 0 0 -99.1 83.5 178.3 157.0 35.7 137.6 0 0.0 0 0.0 0 0.0 0 0.0 9 54
164 B 166 THR T S S S+ 0 0 -75.6 -27.2 178.0 36.0 77.8 35.0 162 -1.0 0 0.0 115 -0.8 0 0.0 13 47
165 B 167 SER S B B B S- 115 0 -129.0 108.6 -179.8 -137.6 88.7 166.0 115 -1.9 115 -2.8 0 0.0 0 0.0 12 58
166 B 168 PRO P + 0 0 -70.9 122.5 179.7 176.3 24.6 122.5 0 0.0 0 0.0 0 0.0 0 0.0 12 65
167 B 169 GLY G - 0 0 -93.5 -122.7 178.4 -40.0 67.8 54.7 0 0.0 0 0.0 0 0.0 0 0.0 12 70
168 B 170 TRP W S t > TS- 0 0 -93.1 16.1 179.2 -149.3 76.2 85.3 112 -2.9 171 -2.8 0 0.0 170 -1.1 14 57
169 B 171 ILE I T T 3 TS- 0 0 54.6 -85.0 -177.6 -14.3 70.1 105.5 0 0.0 0 0.0 0 0.0 0 0.0 10 49
170 B 172 ASP D T T 3 TS- 0 0 -131.6 9.4 -179.6 -78.7 110.5 76.0 168 -1.1 0 0.0 0 0.0 0 0.0 8 38
171 B 173 GLY G S t X TS+ 0 0 128.1 -154.5 -179.8 10.0 92.1 156.4 168 -2.8 174 -1.0 0 0.0 0 0.0 10 36
172 B 174 PRO P T T 3 TS+ 0 0 -64.7 132.3 179.8 6.4 130.7 109.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
173 B 175 GLY G T h > 3 TS+ 0 0 81.5 -17.4 -179.5 114.4 95.2 79.8 0 0.0 177 -1.4 0 0.0 0 0.0 8 26
174 B 176 GLY G H H > < TS+ 0 0 -52.6 -51.5 -178.3 49.2 71.0 27.5 171 -1.0 178 -1.2 0 0.0 0 0.0 10 31
175 B 177 ARG R H H 4 >TS+ 0 0 -58.0 -49.2 -178.6 50.7 107.9 28.0 0 0.0 180 -2.9 0 0.0 0 0.0 14 35
176 B 178 GLU E H H 4 >5TS+ 0 0 -60.3 -41.0 178.6 55.0 106.6 29.1 0 0.0 179 -1.7 0 0.0 0 0.0 9 23
177 B 179 ARG R H H < 35TS+ 0 0 -64.4 -31.6 177.2 52.3 105.3 30.2 173 -1.4 0 0.0 0 0.0 0 0.0 7 19
178 B 180 LEU L T h < 35TS- 0 0 -81.7 4.5 -179.8 -107.1 126.9 64.7 174 -1.2 0 0.0 0 0.0 0 0.0 6 25
179 B 181 GLY G T T <5TS+ 0 0 77.2 24.6 178.3 140.5 74.8 38.8 176 -1.7 0 0.0 0 0.0 0 0.0 6 23
180 B 182 LEU L t T - 0 0 -51.4 121.4 -177.7 -150.8 40.7 111.0 0 0.0 184 -0.6 0 0.0 0 0.0 9 37
182 B 184 GLY G T T 3 TS+ 0 0 -73.7 -27.0 -177.9 56.5 81.0 41.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
183 B 185 ASP D T T 3 TS+ 0 0 -102.5 42.6 179.5 70.2 94.9 92.0 0 0.0 0 0.0 0 0.0 0 0.0 4 44
184 B 186 VAL V t < T + 0 0 -151.6 124.2 -179.4 121.3 62.4 166.5 181 -0.6 0 0.0 0 0.0 0 0.0 9 55
185 B 187 GLY G e - 0 0 -164.8 -170.2 179.6 -32.5 61.5 157.0 0 0.0 145 -2.0 0 0.0 0 0.0 13 63
186 B 188 PRO P E E Ah + 145 0 -64.8 119.6 -178.4 175.3 47.7 122.9 0 0.0 0 0.0 0 0.0 0 0.0 14 67
187 B 189 GLN Q E E A* - 0 0 -92.8 -44.9 -177.0 -0.9 61.0 28.0 145 -3.4 198 -0.6 0 0.0 0 0.0 9 61
188 B 190 LEU L E E AhI - 146 197 -151.9 145.1 176.9 -144.5 53.6 177.4 145 -1.3 147 -2.5 0 0.0 190 -0.5 11 61
189 B 191 VAL V E E AhI - 147 196 -111.3 123.6 -179.9 -165.5 17.1 162.7 196 -2.9 196 -3.1 0 0.0 191 -0.6 13 69
190 B 192 VAL V E E AhI + 148 195 -115.2 112.4 178.9 162.3 17.3 156.2 147 -2.3 149 -1.7 188 -0.5 0 0.0 13 70
191 B 193 THR T E E A I> T - 0 194 -111.3 -172.3 179.4 -89.2 55.7 115.2 194 -2.2 194 -0.9 189 -0.6 0 0.0 11 67
192 B 194 ASP D T T 3 TS+ 0 0 -79.6 -1.9 179.6 48.6 123.7 62.3 0 0.0 0 0.0 0 0.0 0 0.0 10 56
193 B 195 LYS K T e 3 TS- 0 0 -118.7 9.5 -178.4 -67.9 122.9 76.2 0 0.0 211 -1.0 0 0.0 0 0.0 12 54
194 B 196 GLY G E E AIJ< T - 191 210 140.5 -165.8 -179.0 -53.1 62.3 157.9 191 -0.9 191 -2.2 0 0.0 0 0.0 14 62
195 B 197 ILE I E E AIJ - 190 209 -121.7 135.5 178.6 -161.3 38.3 160.6 209 -2.3 208 -2.2 0 0.0 209 -1.9 12 68
196 B 198 LEU L E E AIJ - 189 207 -115.6 147.6 -179.6 -162.4 7.2 151.6 189 -3.1 189 -2.9 0 0.0 0 0.0 12 64
197 B 199 LYS K E E AIJ - 188 206 -123.9 170.4 -179.0 -121.2 17.0 143.3 206 -2.8 206 -2.9 0 0.0 0 0.0 11 54
198 B 200 PHE F E E A J - 0 205 -114.1 127.7 179.1 -105.6 36.1 160.2 187 -0.6 0 0.0 0 0.0 0 0.0 13 47
199 B 201 ASP D e > T - 0 0 -51.1 139.5 -179.6 -134.8 21.7 100.2 204 -2.6 203 -1.5 0 0.0 0 0.0 9 36
200 B 202 GLU E T T 4 TS+ 0 0 -65.4 -36.0 -178.8 29.8 102.6 32.3 0 0.0 0 0.0 0 0.0 0 0.0 5 31
201 B 203 LYS K T T 4 TS+ 0 0 -101.4 -17.9 179.4 28.6 132.9 48.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
202 B 204 THR T T T 4 TS- 0 0 -117.2 -10.1 179.8 -139.8 87.0 61.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
203 B 205 LYS K t < T + 0 0 62.5 4.4 179.0 140.0 54.3 62.4 199 -1.5 0 0.0 0 0.0 0 0.0 11 41
204 B 206 ARG R e - 0 0 -85.7 140.5 -179.4 -104.3 57.1 124.8 0 0.0 199 -2.6 0 0.0 0 0.0 9 47
205 B 207 MET M E E AJ + 198 0 -61.0 139.9 179.0 172.6 40.9 103.1 111 -2.2 0 0.0 0 0.0 0 0.0 13 59
206 B 208 TYR Y E E AJ - 197 0 -145.9 152.3 -179.1 -96.9 40.3 167.1 197 -2.9 197 -2.8 0 0.0 0 0.0 11 51
207 B 209 LEU L E E AJ + 196 0 -76.5 127.0 -178.8 176.2 38.1 128.0 228 -1.3 0 0.0 0 0.0 0 0.0 16 52
208 B 210 ALA A E E A* - 0 0 -96.8 -45.6 -180.0 -11.4 62.6 33.1 195 -2.2 233 -1.4 0 0.0 0 0.0 12 48
209 B 211 ALA A E E AJk - 195 233 -157.1 148.3 179.1 -148.6 56.6 171.1 195 -1.9 195 -2.3 0 0.0 0 0.0 11 45
210 B 212 TYR Y E E AJk - 194 234 -120.6 150.9 180.0 -108.7 27.4 153.4 233 -1.5 235 -2.4 0 0.0 0 0.0 16 48
211 B 213 TYR Y e > T - 0 0 -72.0 163.8 179.8 -108.0 31.8 107.8 193 -1.0 214 -2.0 0 0.0 0 0.0 13 44
212 B 214 PRO P T T 3 TS+ 0 0 -56.9 -42.5 179.1 55.4 122.5 26.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
213 B 215 THR T T T 3 TS+ 0 0 -73.7 5.4 179.2 46.8 112.9 71.6 0 0.0 0 0.0 0 0.0 0 0.0 5 32
214 B 216 SER S t < T - 0 0 -138.1 -178.9 -178.5 -156.5 64.5 144.4 211 -2.0 0 0.0 0 0.0 0 0.0 10 38
215 B 217 SER S h > T - 0 0 -152.7 167.5 179.7 -94.5 40.2 159.6 0 0.0 219 -2.2 0 0.0 0 0.0 11 35
216 B 218 PRO P H H > TS+ 0 0 -58.5 -37.8 -179.2 50.5 124.2 26.4 0 0.0 220 -3.1 0 0.0 0 0.0 11 38
217 B 219 GLU E H H > TS+ 0 0 -68.6 -35.9 178.5 53.6 106.3 28.5 0 0.0 221 -3.0 0 0.0 0 0.0 6 35
218 B 220 ASP D H H > TS+ 0 0 -59.6 -45.7 179.4 47.1 112.4 16.2 0 0.0 222 -0.9 0 0.0 0 0.0 9 37
219 B 221 VAL V H H < > TS+ 0 0 -58.8 -55.0 179.1 47.4 112.4 18.5 215 -2.2 222 -1.2 0 0.0 0 0.0 12 48
220 B 222 LEU L H H < > TS+ 0 0 -53.6 -48.8 -179.9 56.4 108.3 22.6 216 -3.1 223 -1.7 0 0.0 0 0.0 10 42
221 B 223 GLU E H H < 3 TS+ 0 0 -58.5 -22.8 -179.6 45.6 109.6 47.0 217 -3.0 0 0.0 0 0.0 0 0.0 7 30
222 B 224 ASN N T h < < TS+ 0 0 -114.6 33.6 179.0 90.4 94.7 92.1 219 -1.2 0 0.0 218 -0.9 0 0.0 11 39
223 B 225 THR T t < T - 0 0 -131.6 122.9 -178.8 -147.9 64.5 173.5 220 -1.7 0 0.0 0 0.0 0 0.0 15 48
224 B 226 GLY G S S S+ 0 0 -64.6 -14.8 178.6 43.0 83.3 53.8 156 -0.5 0 0.0 0 0.0 0 0.0 11 36
225 B 227 PHE F S S S- 0 0 -129.6 163.1 -179.8 -83.3 98.5 151.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
226 B 228 ASP D - 0 0 -64.6 149.8 179.7 -169.3 44.8 106.6 0 0.0 0 0.0 0 0.0 0 0.0 6 38
227 B 229 LEU L - 0 0 -137.3 160.5 176.3 -121.8 30.8 157.8 0 0.0 229 -1.0 0 0.0 0 0.0 9 45
228 B 230 ASP D + 0 0 -104.1 90.0 179.8 160.4 41.6 151.7 0 0.0 207 -1.3 0 0.0 0 0.0 8 36
229 B 231 VAL V t > T + 0 0 -83.3 -18.7 179.6 95.9 49.1 46.9 227 -1.0 232 -2.5 0 0.0 231 -2.4 10 38
230 B 232 SER S T T 3 TS+ 0 0 -75.5 75.8 -180.0 45.6 82.9 115.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
231 B 233 LYS K T T 3 TS+ 0 0 171.0 -7.2 -179.5 121.5 84.9 82.8 229 -2.4 0 0.0 0 0.0 0 0.0 7 27
232 B 234 ALA A t < T - 0 0 -77.1 147.5 179.1 -161.7 42.8 118.0 229 -2.5 0 0.0 0 0.0 0 0.0 10 34
233 B 235 VAL V E E Ak - 209 0 -126.2 155.0 -179.3 -103.6 27.1 152.9 208 -1.4 210 -1.5 0 0.0 0 0.0 7 29
234 B 236 GLU E E E Ak - 210 0 -83.3 129.6 178.2 -136.1 31.8 133.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
235 B 237 LEU L e - 0 0 -75.0 167.8 -179.9 -108.0 26.0 109.9 210 -2.4 0 0.0 0 0.0 0 0.0 9 39
236 B 238 GLU E - 0 0 -100.7 148.8 178.9 -94.9 35.0 136.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
237 B 239 ALA A - 0 0 -53.4 152.8 179.8 -82.2 57.7 95.4 0 0.0 0 0.0 0 0.0 0 0.0 7 39
238 B 240 PRO P - 0 0 -64.6 132.8 178.6 -104.1 47.4 114.4 0 0.0 0 0.0 0 0.0 0 0.0 10 42
239 B 241 ASP D h > > T - 0 0 -57.2 118.2 -179.8 -133.8 29.9 113.8 0 0.0 242 -2.2 0 0.0 243 -1.2 6 35
240 B 242 PRO P H H > 3 TS+ 0 0 -48.0 -29.1 178.7 65.6 103.6 44.0 0 0.0 244 -1.8 0 0.0 0 0.0 9 27
241 B 243 ALA A H H > 3 TS+ 0 0 -64.4 -31.8 179.4 47.0 104.8 29.7 0 0.0 245 -1.3 0 0.0 0 0.0 7 27
242 B 244 VAL V H H > < TS+ 0 0 -74.2 -48.3 179.0 54.6 106.4 24.4 239 -2.2 246 -2.6 0 0.0 0 0.0 9 44
243 B 245 ILE I H H X TS+ 0 0 -56.6 -35.1 177.0 53.0 107.2 30.7 239 -1.2 247 -2.0 0 0.0 0 0.0 14 48
244 B 246 LYS K H H X TS+ 0 0 -62.4 -46.1 -179.1 49.7 109.3 18.1 240 -1.8 248 -3.1 0 0.0 0 0.0 11 37
245 B 247 LEU L H H X >TS+ 0 0 -56.8 -50.8 178.5 49.4 109.6 24.2 241 -1.3 250 -2.5 0 0.0 249 -1.7 11 43
246 B 248 ILE I H H < >TS+ 0 0 -56.4 -45.7 -179.3 40.9 117.9 25.7 242 -2.6 251 -3.2 0 0.0 0 0.0 14 57
247 B 249 ARG R H H < 5TS+ 0 0 -74.1 -44.0 -179.6 27.1 127.7 25.3 243 -2.0 0 0.0 0 0.0 0 0.0 13 43
248 B 250 GLU E H H < 5TS+ 0 0 -86.9 -50.4 -178.0 20.2 134.5 22.0 244 -3.1 0 0.0 0 0.0 0 0.0 9 31
249 B 251 GLU E T h < 5TS+ 0 0 -86.9 -51.3 -178.0 37.3 127.7 20.0 245 -1.7 0 0.0 0 0.0 0 0.0 8 37
250 B 252 ILE I T T >555<< >5555< 5-turns
3-turns >>3<<>33< >33< >33< >33X33X33< >>3<< >33< 3-turns
bridge-2 bbb CCC DD*D bridge-2
bridge-1 aaa aaa CC*C D*DD b bridge-1
sheets AAA AAAA AAAA AAAA A sheets
4-turns >>>>XXXX<<<< >>>>XXXXX<<<< >444< >>44<< >>>>XXXXXXXX<<<< 4-turns
summary S hHHHHHHHHHHhTttTTeEEEe ShHHHHHHHHHHHhTtTTtEEEETTeEEEEe SS StTThHHHHheEEEEehHHHHHHHHHHHHHHht eE summary
sequence DYTNYTNKEMQAVTIAKQIKNGQVVTVGTGLPLIGASVAKRVYAPDCHIIVESGLMDCSPVEVPRSVGDLRFMAHCGCIWPNVRFVGFEINEYLHKANRL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEE SEE TT EE SEEE SSSEEEE TTHHHHHHHS EEEE TTTB SS S SB STTSTTHHHHTT TT EEEEEETTEEEEE T Kabs/Sand
chirality --+-+-+---+-+--++--+--++--+-----+-++++++++-----+--+-++++-+----++-+----+++++++-+--+++-+---+-+-------+ chirality
bends S SS S SS SSS SS SSSSSSSSSS SSSS SS S SS SSSSSSSSSSSS SS SS S bends
turns TTTT TTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTT TTTT TT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33X33< >33< >33< >33< 3-turns
bridge-2 eee a B hhhh IIII JJJJJ bridge-2
bridge-1 bb FF FF GGG G*GG eee a B h*hhh IIII bridge-1
sheets AAAA BB BB CCC CCCC AAAA AAAAAA AAAAA sheets
4-turns >>>>X<<<< >444< >>44<< >4 4-turns
summary EEEE SEEeTTteEE eEEEeSSeEEEEe tThHHHHHHHheEEEEe tTTTB SS S SB tTTtThHHHHhTttTTteEEEEEETeEEEEEeT summary
sequence IAFIGGAQIDPYGNVNSTSIGDYHHPKTRFTGSGGANGIATYSNTIIMMQHEKRRFMNKIDYVTSPGWIDGPGGRERLGLPGDVGPQLVVTDKGILKFDE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TT EEEEEE TT HHHHHHT SS TT EE HHHHHHHHHTT TT SS Kabs/Sand
chirality +-+-+-+----++--+++++++-+---++++--------+++++++++++++-+++-- chirality
bends SS SS SSSSSSS SS SS SSSSSSSSSSS SS SS bends
turns TTT TTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns >33< >>3<< >33< >33< >33< 3-turns
bridge-2 kk bridge-2
bridge-1 JJJ*JJ kk bridge-1
sheets AAAAAA AA sheets
4-turns 44< >>>><<<< >>>>XXX<<<< 4-turns
summary TTteEEEEEEeTTthHHHHHHhtSS tTTtEEe hHHHHHHHHHhTtTTtSS summary
sequence KTKRMYLAAYYPTSSPEDVLENTGFDLDVSKAVELEAPDPAVIKLIREEIDPGQAFIQVP sequence
210 220 230 240 250 260