Secondary structure calculation program - copyright by David Keith Smith, 1989
8abp-.pdb
8ABP BINDING PROTEINS L-*ARABINOSE-BINDING PROTEIN (MUTANT WITH MET 108 (ESCHERICHIA $COLI)
Sequence length - 305
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 2 ASN N 0 0 999.9 -81.6 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
2 3 LEU L E E Aa - 32 0 -59.2 134.0 177.6 -154.2 999.9 110.3 31 -0.5 33 -2.7 0 0.0 0 0.0 8 37
3 4 LYS K E E Aa - 33 0 -115.9 130.6 179.7 -178.9 13.5 164.1 0 0.0 58 -2.1 0 0.0 0 0.0 13 46
4 5 LEU L E E Aa - 34 0 -127.7 142.0 178.4 -130.4 20.8 172.6 33 -2.8 35 -2.7 0 0.0 0 0.0 14 60
5 6 GLY G E E Aab - 35 60 -89.9 155.4 172.3 -164.4 11.2 123.0 59 -2.8 61 -2.2 0 0.0 0 0.0 14 68
6 7 PHE F E E Aab - 36 61 -139.8 101.6 -174.6 -173.1 16.7 149.6 35 -2.6 37 -1.8 0 0.0 0 0.0 14 75
7 8 LEU L E E Aab - 37 62 -103.1 124.7 -178.6 -175.3 2.2 150.0 61 -3.0 63 -2.6 0 0.0 0 0.0 13 71
8 9 VAL V E E Aab - 38 63 -126.2 142.1 -178.7 -145.6 26.4 164.1 37 -2.0 39 -3.1 0 0.0 0 0.0 14 62
9 10 LYS K S e S+ 0 0 -69.8 -30.7 -175.5 32.0 95.3 39.4 63 -0.7 0 0.0 0 0.0 0 0.0 11 52
10 11 GLN Q t > T + 0 0 -131.8 80.7 -178.0 171.2 57.2 134.5 0 0.0 13 -1.7 0 0.0 0 0.0 10 44
11 12 PRO P T T 3 TS+ 0 0 -62.8 -17.2 -179.1 69.6 76.6 43.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
12 13 GLU E T T 3 TS+ 0 0 -76.4 -17.8 -179.5 89.6 80.9 51.2 0 0.0 0 0.0 0 0.0 0 0.0 6 36
13 14 GLU E S h > X TS- 0 0 -83.3 133.6 173.2 -140.0 75.8 135.6 10 -1.7 17 -2.2 0 0.0 16 -0.6 8 47
14 15 PRO P H H > 3 TS+ 0 0 -52.6 -34.1 177.7 68.5 102.6 33.1 0 0.0 18 -2.7 0 0.0 0 0.0 9 44
15 16 TRP W H H > 3 TS+ 0 0 -46.4 -56.4 -178.5 35.3 107.5 13.4 0 0.0 19 -1.7 0 0.0 0 0.0 10 57
16 17 PHE F H H > < TS+ 0 0 -72.5 -35.6 175.0 57.4 113.5 31.7 13 -0.6 20 -2.4 0 0.0 0 0.0 12 61
17 18 GLN Q H H X TS+ 0 0 -59.8 -37.8 -179.9 50.1 108.3 27.6 13 -2.2 21 -2.2 0 0.0 0 0.0 10 46
18 19 THR T H H X TS+ 0 0 -69.0 -43.2 175.9 51.8 106.9 27.4 14 -2.7 22 -2.0 0 0.0 0 0.0 11 53
19 20 GLU E H H X TS+ 0 0 -54.8 -45.7 178.0 51.1 110.3 16.0 15 -1.7 23 -2.2 0 0.0 0 0.0 14 61
20 21 TRP W H H X TS+ 0 0 -57.6 -45.0 -179.5 51.7 108.0 23.6 16 -2.4 24 -2.3 0 0.0 0 0.0 11 51
21 22 LYS K H H X TS+ 0 0 -61.6 -41.8 -175.2 43.8 113.1 28.0 17 -2.2 25 -1.5 0 0.0 0 0.0 10 45
22 23 PHE F H H X TS+ 0 0 -79.3 -25.2 173.9 57.2 109.1 35.1 18 -2.0 26 -1.9 0 0.0 0 0.0 12 48
23 24 ALA A H H X TS+ 0 0 -63.7 -43.8 178.0 51.4 106.1 21.8 19 -2.2 27 -2.1 0 0.0 0 0.0 14 56
24 25 ASP D H H X TS+ 0 0 -58.4 -41.7 -179.7 53.3 107.3 29.3 20 -2.3 28 -2.2 0 0.0 0 0.0 11 42
25 26 LYS K H H X TS+ 0 0 -63.0 -42.4 -179.7 48.5 108.3 27.6 21 -1.5 29 -2.5 0 0.0 0 0.0 9 38
26 27 ALA A H H X TS+ 0 0 -60.9 -38.3 -178.8 54.8 109.2 25.6 22 -1.9 30 -3.4 0 0.0 0 0.0 12 41
27 28 GLY G H H X >TS+ 0 0 -60.8 -47.9 179.0 45.7 110.0 26.0 23 -2.1 32 -2.2 0 0.0 31 -2.1 12 44
28 29 LYS K H H < 5TS+ 0 0 -63.7 -47.9 179.4 46.4 115.8 23.4 24 -2.2 0 0.0 0 0.0 0 0.0 9 25
29 30 ASP D H H < 5TS+ 0 0 -62.3 -44.7 -173.4 30.8 124.0 24.8 25 -2.5 0 0.0 0 0.0 0 0.0 6 27
30 31 LEU L H H < 5TS- 0 0 -96.7 -12.1 -179.3 -106.8 111.2 52.8 26 -3.4 0 0.0 0 0.0 0 0.0 8 30
31 32 GLY G T h < 5TS+ 0 0 89.5 56.6 176.7 118.6 72.5 23.9 27 -2.1 2 -0.5 0 0.0 0 0.0 8 31
32 33 PHE F E E Aa TS- 0 0 -142.1 175.0 -179.0 -100.4 86.9 153.3 0 0.0 45 -1.6 0 0.0 0 0.0 9 31
42 43 GLY G H H > TS+ 0 0 -65.6 -35.7 -178.3 55.1 115.9 35.7 0 0.0 46 -2.5 0 0.0 0 0.0 10 32
43 44 GLU E H H > TS+ 0 0 -63.0 -50.5 -179.2 44.6 110.4 15.8 0 0.0 47 -2.5 0 0.0 0 0.0 6 27
44 45 LYS K H H > TS+ 0 0 -63.4 -36.5 -179.8 58.3 110.3 33.6 0 0.0 48 -2.6 0 0.0 0 0.0 9 32
45 46 THR T H H X TS+ 0 0 -56.9 -54.7 -178.0 39.5 110.8 14.2 41 -1.6 49 -1.6 0 0.0 0 0.0 12 47
46 47 LEU L H H X TS+ 0 0 -65.7 -40.7 179.0 50.1 116.5 22.9 42 -2.5 50 -1.7 0 0.0 0 0.0 11 46
47 48 ASN N H H X TS+ 0 0 -62.0 -40.8 -179.5 57.2 106.8 29.4 43 -2.5 51 -2.3 0 0.0 0 0.0 8 36
48 49 ALA A H H X TS+ 0 0 -60.8 -39.3 178.1 51.8 104.1 29.7 44 -2.6 52 -2.3 0 0.0 0 0.0 10 47
49 50 ILE I H H X TS+ 0 0 -62.6 -40.9 177.5 51.8 107.7 24.5 45 -1.6 53 -2.2 0 0.0 0 0.0 10 56
50 51 ASP D H H X TS+ 0 0 -57.0 -46.4 -178.5 50.3 109.7 22.9 46 -1.7 54 -1.8 0 0.0 0 0.0 8 39
51 52 SER S H H X TS+ 0 0 -60.4 -41.5 178.5 53.3 107.2 30.8 47 -2.3 55 -1.7 0 0.0 0 0.0 8 34
52 53 LEU L H H < >TS+ 0 0 -60.6 -42.4 -179.8 54.1 105.9 29.2 48 -2.3 57 -2.2 0 0.0 0 0.0 10 42
53 54 ALA A H H < >5TS+ 0 0 -57.9 -44.8 177.4 51.1 106.9 23.1 49 -2.2 56 -1.4 0 0.0 0 0.0 10 38
54 55 ALA A H H < 35TS+ 0 0 -61.8 -37.6 177.7 51.8 108.4 32.9 50 -1.8 0 0.0 0 0.0 0 0.0 7 26
55 56 SER S T h < 35TS- 0 0 -76.5 -9.1 -178.6 -115.0 117.4 60.0 51 -1.7 0 0.0 0 0.0 0 0.0 7 29
56 57 GLY G T T <5T + 0 0 81.0 22.3 176.9 168.5 52.8 48.1 53 -1.4 0 0.0 0 0.0 0 0.0 7 29
57 58 ALA A t T - 0 0 -147.2 114.8 179.2 -152.3 66.6 153.3 0 0.0 69 -2.2 0 0.0 0 0.0 8 49
67 68 PRO P G G > TS+ 0 0 -54.4 -30.5 -175.7 66.2 97.0 37.6 0 0.0 92 -2.0 0 0.0 70 -1.7 11 52
68 69 LYS K G G 3 TS+ 0 0 -73.7 -5.2 173.7 72.6 84.4 54.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
69 70 LEU L G h > < T + 0 0 -78.9 -6.3 -175.9 103.6 69.1 62.1 66 -2.2 73 -2.6 0 0.0 0 0.0 11 46
70 71 GLY G H H > < TS+ 0 0 -42.5 -57.0 179.7 46.7 77.1 28.4 67 -1.7 74 -2.5 0 0.0 0 0.0 12 52
71 72 SER S H H > TS+ 0 0 -53.2 -49.5 -178.5 48.2 114.0 23.9 0 0.0 75 -2.8 0 0.0 0 0.0 10 39
72 73 ALA A H H > TS+ 0 0 -62.0 -42.8 -178.6 50.5 111.2 28.1 0 0.0 76 -2.3 0 0.0 0 0.0 8 39
73 74 ILE I H H X TS+ 0 0 -63.0 -45.2 179.5 46.3 112.4 21.9 69 -2.6 77 -2.8 0 0.0 0 0.0 9 57
74 75 VAL V H H X TS+ 0 0 -60.5 -49.5 -179.9 50.8 112.1 22.5 70 -2.5 78 -2.8 0 0.0 0 0.0 9 47
75 76 ALA A H H X TS+ 0 0 -55.3 -49.1 -177.4 45.3 113.3 26.6 71 -2.8 79 -2.0 0 0.0 0 0.0 8 33
76 77 LYS K H H X TS+ 0 0 -62.3 -47.6 178.8 48.4 114.2 22.1 72 -2.3 80 -1.2 0 0.0 0 0.0 10 37
77 78 ALA A H H < >>TS+ 0 0 -57.7 -50.2 -178.1 50.8 110.0 24.0 73 -2.8 82 -2.7 0 0.0 80 -0.6 13 46
78 79 ARG R H H < >5TS+ 0 0 -52.8 -45.5 -178.1 58.8 105.4 22.0 74 -2.8 81 -2.1 0 0.0 0 0.0 9 27
79 80 GLY G H H < 35TS+ 0 0 -55.3 -33.5 -179.1 40.9 111.3 34.5 75 -2.0 0 0.0 0 0.0 0 0.0 7 26
80 81 TYR Y T h < <5TS- 0 0 -102.0 10.9 179.6 -114.2 113.5 72.6 76 -1.2 0 0.0 77 -0.6 0 0.0 7 31
81 82 ASP D T T <5T + 0 0 58.8 37.6 178.2 150.6 67.2 29.5 78 -2.1 0 0.0 0 0.0 0 0.0 7 31
82 83 MET M t T - 0 0 -81.3 -173.3 -178.8 -82.5 47.3 97.8 97 -3.2 96 -1.7 0 0.0 0 0.0 11 27
94 95 ALA A T T 3 TS+ 0 0 -62.1 -30.6 176.4 53.2 132.1 31.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
95 96 LYS K T T 3 TS- 0 0 -78.4 -10.6 178.7 -107.5 120.9 55.9 0 0.0 0 0.0 0 0.0 0 0.0 5 19
96 97 GLY G S t < TS+ 0 0 96.1 2.5 179.8 136.9 74.6 59.4 93 -1.7 0 0.0 0 0.0 0 0.0 7 23
97 98 LYS K - 0 0 -85.7 142.7 179.2 -94.6 62.6 134.9 0 0.0 93 -3.2 0 0.0 0 0.0 7 25
98 99 PRO P B B A - 92 0 -53.9 134.8 175.7 -132.4 21.9 102.8 0 0.0 100 -1.4 0 0.0 0 0.0 8 36
99 100 MET M t > T - 0 0 -90.1 86.0 -177.5 -177.9 28.0 137.8 91 -2.9 102 -1.3 0 0.0 0 0.0 10 37
100 101 ASP D T T 3 T + 0 0 -64.1 -5.9 -178.0 76.0 66.3 59.2 98 -1.4 0 0.0 0 0.0 0 0.0 6 34
101 102 THR T T T 3 TS+ 0 0 -83.7 -22.4 176.9 76.4 77.9 45.8 0 0.0 0 0.0 0 0.0 0 0.0 5 33
102 103 VAL V S t < TS- 0 0 -84.7 127.2 176.3 -112.3 92.5 145.2 99 -1.3 0 0.0 0 0.0 0 0.0 10 49
103 104 PRO P e - 0 0 -58.0 143.2 -178.9 -163.1 39.5 108.0 0 0.0 86 -3.0 0 0.0 0 0.0 12 53
104 105 LEU L E E Ade - 86 279 -134.1 138.1 170.3 -166.3 20.8 174.3 278 -2.2 280 -2.3 0 0.0 0 0.0 12 51
105 106 VAL V E E Ade + 87 280 -124.7 127.2 -178.2 145.0 32.6 169.9 86 -2.1 88 -2.8 0 0.0 0 0.0 14 55
106 107 MET M E E A e - 0 281 -147.1 171.1 178.1 -94.0 46.3 158.3 280 -2.7 282 -3.0 0 0.0 0 0.0 12 63
107 108 LEU L E E A e - 0 282 -89.5 166.7 178.5 -95.3 48.6 118.2 0 0.0 109 -1.9 0 0.0 0 0.0 10 56
108 109 ALA A h > T - 0 0 -74.0 79.5 -172.0 -177.6 50.7 127.6 282 -1.8 112 -2.6 0 0.0 0 0.0 9 45
109 110 ALA A H H > TS+ 0 0 -55.1 -53.7 178.4 43.7 73.9 27.3 107 -1.9 113 -2.6 0 0.0 0 0.0 11 54
110 111 THR T H H > TS+ 0 0 -58.8 -48.4 -178.4 48.0 115.8 17.6 0 0.0 114 -2.6 0 0.0 0 0.0 11 42
111 112 LYS K H H > TS+ 0 0 -61.3 -41.1 -177.8 46.3 114.3 32.4 0 0.0 115 -1.8 0 0.0 0 0.0 10 41
112 113 ILE I H H X TS+ 0 0 -73.5 -35.1 176.5 51.4 111.2 30.3 108 -2.6 116 -2.0 0 0.0 0 0.0 14 53
113 114 GLY G H H X TS+ 0 0 -63.0 -45.5 178.4 51.2 109.3 24.3 109 -2.6 117 -2.3 0 0.0 0 0.0 15 63
114 115 GLU E H H X TS+ 0 0 -55.6 -40.5 179.9 51.9 108.4 24.2 110 -2.6 118 -2.6 0 0.0 0 0.0 14 50
115 116 ARG R H H X TS+ 0 0 -63.2 -43.3 178.2 54.2 106.6 23.2 111 -1.8 119 -2.8 0 0.0 0 0.0 10 51
116 117 GLN Q H H X TS+ 0 0 -54.1 -49.5 -178.7 45.2 110.8 16.2 112 -2.0 120 -2.7 0 0.0 0 0.0 13 67
117 118 GLY G H H X TS+ 0 0 -64.6 -38.4 176.5 52.0 112.0 24.2 113 -2.3 121 -2.4 0 0.0 0 0.0 15 60
118 119 GLN Q H H X TS+ 0 0 -60.6 -49.3 -179.0 45.6 112.4 25.0 114 -2.6 122 -2.3 0 0.0 0 0.0 12 47
119 120 GLU E H H X TS+ 0 0 -67.7 -35.1 174.8 52.7 111.0 27.4 115 -2.8 123 -2.3 0 0.0 0 0.0 9 51
120 121 LEU L H H X TS+ 0 0 -59.4 -48.5 -178.3 46.5 111.4 20.0 116 -2.7 124 -2.4 0 0.0 0 0.0 13 64
121 122 TYR Y H H X TS+ 0 0 -61.3 -41.3 -179.5 51.9 111.4 22.9 117 -2.4 125 -2.6 0 0.0 0 0.0 11 51
122 123 LYS K H H X TS+ 0 0 -61.9 -44.4 -178.1 45.4 112.0 21.2 118 -2.3 126 -2.3 0 0.0 0 0.0 8 38
123 124 GLU E H H X TS+ 0 0 -69.8 -36.2 177.2 53.7 110.7 25.1 119 -2.3 127 -1.8 0 0.0 0 0.0 9 47
124 125 MET M H H X >TS+ 0 0 -59.1 -45.8 179.1 48.4 109.9 25.1 120 -2.4 129 -1.3 0 0.0 128 -0.7 10 45
125 126 GLN Q H H < >5TS+ 0 0 -60.8 -44.6 178.1 55.4 107.6 26.3 121 -2.6 128 -1.0 0 0.0 0 0.0 8 30
126 127 LYS K H H < 35TS+ 0 0 -54.2 -40.1 -176.7 46.8 109.7 33.3 122 -2.3 0 0.0 0 0.0 0 0.0 6 21
127 128 ARG R H H < 35TS- 0 0 -82.3 -16.9 178.7 -130.7 105.8 54.1 123 -1.8 0 0.0 0 0.0 0 0.0 6 27
128 129 GLY G T h < <5T + 0 0 76.0 22.0 -178.9 177.3 37.7 45.2 125 -1.0 0 0.0 124 -0.7 0 0.0 6 24
129 130 TRP W t T - 0 0 -75.2 123.7 179.3 -144.9 19.8 134.7 0 0.0 133 -1.7 0 0.0 0 0.0 6 29
131 132 VAL V G G > TS+ 0 0 -59.8 -29.9 -179.1 68.0 94.9 37.2 129 -0.6 134 -1.7 0 0.0 0 0.0 7 36
132 133 LYS K G G 3 TS+ 0 0 -62.1 -29.4 179.5 36.7 107.4 35.5 0 0.0 0 0.0 0 0.0 0 0.0 4 26
133 134 GLU E G e < TS+ 0 0 -109.7 22.2 -178.5 89.6 105.0 83.1 130 -1.7 196 -2.6 0 0.0 197 -1.4 10 32
134 135 SER S E E Bf < T + 197 0 -113.6 155.2 177.1 178.2 49.5 143.7 131 -1.7 0 0.0 0 0.0 0 0.0 13 46
135 136 ALA A E E Bf - 198 0 -151.0 162.0 174.7 -123.5 25.8 167.0 197 -1.9 199 -2.6 0 0.0 0 0.0 12 55
136 137 VAL V E E Bfg - 199 168 -106.9 132.2 172.2 -157.5 14.5 160.3 167 -2.3 169 -3.0 0 0.0 138 -0.6 11 70
137 138 MET M E E Bfg - 200 169 -105.9 110.5 -178.4 -166.5 11.2 167.7 199 -3.1 201 -3.2 0 0.0 139 -0.6 14 74
138 139 ALA A E E Bfg - 201 170 -104.7 111.9 -178.6 -161.2 3.8 162.0 169 -3.1 171 -2.5 136 -0.6 140 -0.7 13 75
139 140 ILE I E E B g - 0 171 -93.1 114.2 -172.5 -160.8 23.2 151.7 201 -3.2 0 0.0 137 -0.6 0 0.0 19 67
140 141 THR T E E B g - 0 172 -111.0 157.1 177.5 -175.4 38.2 132.4 171 -2.2 173 -2.7 138 -0.7 0 0.0 13 58
141 142 ALA A t > T + 0 0 -134.4 63.6 -171.4 168.4 22.4 131.1 0 0.0 144 -2.0 0 0.0 148 -0.5 12 51
142 143 ASN N T T 3 T + 0 0 -62.8 -15.9 179.4 68.6 66.6 47.5 0 0.0 0 0.0 0 0.0 0 0.0 8 42
143 144 GLU E T T 3 TS+ 0 0 -77.0 -13.3 178.3 70.2 91.6 50.8 0 0.0 145 -0.7 0 0.0 0 0.0 5 38
144 145 LEU L S h > X TS- 0 0 -107.1 109.7 -175.4 -155.2 74.0 152.4 141 -2.0 148 -3.0 0 0.0 147 -0.7 9 50
145 146 ASP D H H > 3 TS+ 0 0 -50.1 -46.7 -178.2 50.2 93.5 31.2 143 -0.7 149 -2.7 0 0.0 0 0.0 9 49
146 147 THR T H H > 3 TS+ 0 0 -63.6 -35.0 -179.8 45.5 114.3 32.5 0 0.0 150 -1.3 0 0.0 0 0.0 10 56
147 148 ALA A H H > < TS+ 0 0 -69.1 -50.0 179.0 49.8 113.7 21.4 144 -0.7 151 -2.5 0 0.0 0 0.0 12 58
148 149 ARG R H H X TS+ 0 0 -58.5 -42.7 -180.0 51.5 108.2 29.3 144 -3.0 152 -2.7 141 -0.5 0 0.0 13 50
149 150 ARG R H H X TS+ 0 0 -67.0 -35.1 177.5 51.0 110.7 27.4 145 -2.7 153 -2.3 0 0.0 0 0.0 11 41
150 151 ARG R H H X TS+ 0 0 -66.8 -49.2 -174.4 39.7 114.8 18.2 146 -1.3 154 -2.2 0 0.0 0 0.0 16 60
151 152 THR T H H X TS+ 0 0 -72.0 -37.2 177.2 49.2 117.3 26.4 147 -2.5 155 -2.7 0 0.0 0 0.0 15 62
152 153 THR T H H X TS+ 0 0 -64.1 -43.7 -179.4 50.2 111.3 21.6 148 -2.7 156 -3.2 0 0.0 0 0.0 10 47
153 154 GLY G H H X TS+ 0 0 -59.3 -42.7 179.8 48.9 111.8 25.4 149 -2.3 157 -2.0 0 0.0 0 0.0 15 50
154 155 SER S H H X TS+ 0 0 -64.0 -49.1 178.0 45.0 113.1 21.3 150 -2.2 158 -1.9 0 0.0 0 0.0 16 60
155 156 MET M H H X TS+ 0 0 -64.0 -39.9 179.0 53.4 112.3 25.8 151 -2.7 159 -2.6 0 0.0 0 0.0 13 54
156 157 ASP D H H X TS+ 0 0 -60.1 -41.7 -179.4 49.0 108.9 27.5 152 -3.2 160 -2.6 0 0.0 0 0.0 10 43
157 158 ALA A H H X TS+ 0 0 -65.2 -38.7 -178.2 50.1 111.0 29.5 153 -2.0 161 -1.9 0 0.0 0 0.0 12 40
158 159 LEU L H H X >TS+ 0 0 -65.6 -49.3 179.4 46.5 112.3 23.9 154 -1.9 163 -2.7 0 0.0 162 -0.6 13 50
159 160 LYS K H H < >5TS+ 0 0 -58.7 -42.0 -179.2 52.5 111.5 25.4 155 -2.6 162 -1.1 0 0.0 0 0.0 10 38
160 161 ALA A H H < 35TS+ 0 0 -64.3 -37.6 179.5 53.4 106.1 30.6 156 -2.6 0 0.0 0 0.0 0 0.0 7 28
161 162 ALA A H H < 35TS- 0 0 -73.5 -11.8 -179.8 -94.7 129.8 57.0 157 -1.9 0 0.0 0 0.0 0 0.0 8 31
162 163 GLY G T h < <5TS+ 0 0 113.1 0.4 179.8 151.5 70.8 63.9 159 -1.1 0 0.0 158 -0.6 0 0.0 6 31
163 164 PHE F t T - 0 0 -57.5 123.7 177.7 -141.9 22.0 110.2 0 0.0 167 -1.9 0 0.0 0 0.0 7 34
165 166 GLU E G G > TS+ 0 0 -51.9 -39.6 -176.1 60.8 97.0 35.0 0 0.0 168 -1.5 0 0.0 0 0.0 6 29
166 167 LYS K G G 3 TS+ 0 0 -71.3 -9.9 -179.0 59.5 97.9 48.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
167 168 GLN Q G e < TS+ 0 0 -105.8 21.7 178.2 98.7 81.8 87.5 164 -1.9 136 -2.3 0 0.0 169 -0.6 9 39
168 169 ILE I E E Bg < T - 136 0 -109.7 109.4 -176.6 -171.1 55.5 168.6 165 -1.5 0 0.0 0 0.0 0 0.0 11 48
169 170 TYR Y E E Bg - 137 0 -111.3 128.7 -178.0 -157.2 5.3 161.4 136 -3.0 138 -3.1 167 -0.6 0 0.0 10 45
170 171 GLN Q E E Bg + 138 0 -105.7 144.9 178.9 177.5 12.1 141.4 0 0.0 0 0.0 0 0.0 0 0.0 8 50
171 172 VAL V E E Bg - 139 0 -147.8 125.8 178.0 -128.2 25.1 165.9 138 -2.5 140 -2.2 0 0.0 0 0.0 11 47
172 173 PRO P E E Bg - 140 0 -76.9 142.9 177.1 -144.1 16.8 114.8 0 0.0 0 0.0 0 0.0 0 0.0 9 44
173 174 THR T e - 0 0 -105.3 141.4 177.6 -148.2 5.6 159.7 140 -2.7 0 0.0 0 0.0 0 0.0 12 44
174 175 LYS K S S S+ 0 0 -78.7 -22.2 -178.5 24.7 84.8 46.4 0 0.0 0 0.0 0 0.0 0 0.0 8 35
175 176 SER S S S S- 0 0 -144.8 145.8 -178.1 -123.3 77.1 169.1 0 0.0 177 -1.4 0 0.0 0 0.0 7 40
176 177 ASN N S S S+ 0 0 -85.0 61.8 -177.7 82.7 82.6 123.4 0 0.0 0 0.0 0 0.0 0 0.0 10 59
177 178 ASP D S h > TS- 0 0 -150.2 179.5 -178.5 -84.6 95.8 150.5 175 -1.4 181 -2.4 0 0.0 0 0.0 9 47
178 179 ILE I H H > TS+ 0 0 -63.7 -48.4 179.5 50.7 122.5 21.8 0 0.0 182 -2.5 0 0.0 0 0.0 12 47
179 180 PRO P H H > TS+ 0 0 -56.8 -47.1 -178.9 46.0 112.4 25.3 0 0.0 183 -2.1 0 0.0 0 0.0 8 34
180 181 GLY G H H > TS+ 0 0 -62.0 -47.0 -178.8 43.8 116.8 18.4 0 0.0 184 -2.0 0 0.0 0 0.0 13 34
181 182 ALA A H H X TS+ 0 0 -68.9 -33.0 177.0 56.6 110.1 31.8 177 -2.4 185 -3.2 0 0.0 0 0.0 19 48
182 183 PHE F H H X TS+ 0 0 -58.1 -51.9 -178.8 46.4 109.4 19.4 178 -2.5 186 -2.7 0 0.0 0 0.0 14 46
183 184 ASP D H H X TS+ 0 0 -59.9 -45.7 -179.9 47.2 114.3 24.3 179 -2.1 187 -1.8 0 0.0 0 0.0 11 41
184 185 ALA A H H X TS+ 0 0 -59.1 -56.1 -176.3 45.8 114.3 20.1 180 -2.0 188 -1.3 0 0.0 0 0.0 14 46
185 186 ALA A H H X TS+ 0 0 -59.7 -43.7 -178.7 56.3 108.7 27.9 181 -3.2 189 -2.8 0 0.0 0 0.0 15 59
186 187 ASN N H H X TS+ 0 0 -56.7 -39.9 -178.3 51.3 106.1 24.5 182 -2.7 190 -1.6 0 0.0 0 0.0 12 43
187 188 SER S H H < TS+ 0 0 -68.1 -35.2 -179.1 44.1 113.3 34.2 183 -1.8 0 0.0 0 0.0 0 0.0 8 34
188 189 MET M H H < > TS+ 0 0 -75.8 -41.7 -177.6 59.9 107.0 29.0 184 -1.3 191 -1.2 0 0.0 0 0.0 11 47
189 190 LEU L H H < > TS+ 0 0 -54.9 -45.2 -177.1 50.2 102.8 26.7 185 -2.8 192 -1.6 0 0.0 0 0.0 10 47
190 191 VAL V T h < 3 TS+ 0 0 -72.7 -11.2 178.0 60.1 104.8 51.1 186 -1.6 0 0.0 0 0.0 0 0.0 7 29
191 192 GLN Q T T < TS+ 0 0 -86.8 -12.9 -176.4 49.4 106.4 59.4 188 -1.2 0 0.0 0 0.0 0 0.0 6 25
192 193 HIS H t X T + 0 0 -131.5 66.2 179.5 152.6 51.5 115.4 189 -1.6 195 -1.9 0 0.0 0 0.0 7 34
193 194 PRO P T T 3 TS+ 0 0 -60.5 -20.1 -176.7 71.6 71.4 48.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
194 195 GLU E T T 3 TS+ 0 0 -73.6 -16.5 -175.8 97.2 77.7 50.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
195 196 VAL V t < T + 0 0 -86.0 130.3 179.0 174.4 41.8 130.6 192 -1.9 0 0.0 0 0.0 0 0.0 9 38
196 197 LYS K S S S+ 0 0 -100.8 -19.3 -177.0 32.2 70.9 50.1 133 -2.6 0 0.0 0 0.0 0 0.0 8 38
197 198 HIS H E E Bf - 134 0 -144.0 132.2 179.8 -157.5 69.2 177.3 133 -1.4 135 -1.9 0 0.0 0 0.0 11 55
198 199 TRP W E E Bfh - 135 225 -119.1 137.8 166.8 -158.1 12.9 166.0 224 -2.4 226 -2.2 0 0.0 0 0.0 12 71
199 200 LEU L E E Bfh - 136 226 -95.8 129.3 178.2 -149.2 24.1 153.6 135 -2.6 137 -3.1 0 0.0 201 -0.6 12 82
200 201 ILE I E E Bfh - 137 227 -111.3 115.7 -179.5 -169.8 12.4 159.5 226 -2.4 228 -0.9 0 0.0 0 0.0 15 85
201 202 VAL V E E Bf + 138 0 -100.9 130.3 -179.5 147.9 19.9 157.6 137 -3.2 139 -3.2 199 -0.6 0 0.0 16 84
202 203 GLY G - 0 0 -159.2 155.1 -175.3 -116.6 52.5 161.9 0 0.0 0 0.0 0 0.0 0 0.0 13 85
203 204 MET M S S S+ 0 0 -75.2 -18.4 -178.2 13.3 91.7 50.3 0 0.0 0 0.0 0 0.0 0 0.0 16 78
204 205 ASN N S h > TS- 0 0 -150.8 174.0 -177.8 -90.6 85.9 162.1 0 0.0 208 -2.3 0 0.0 0 0.0 9 80
205 206 ASP D H H > TS+ 0 0 -55.1 -50.3 -174.9 51.4 119.0 28.9 230 -2.2 209 -3.0 0 0.0 0 0.0 15 65
206 207 SER S H H > TS+ 0 0 -60.3 -37.7 -179.6 50.9 109.7 29.4 0 0.0 210 -2.3 0 0.0 0 0.0 12 60
207 208 THR T H H > TS+ 0 0 -63.2 -48.6 176.9 42.7 114.3 18.3 0 0.0 211 -1.8 0 0.0 0 0.0 17 68
208 209 VAL V H H X TS+ 0 0 -63.4 -42.9 -179.9 55.0 111.9 27.2 204 -2.3 212 -2.8 0 0.0 0 0.0 19 74
209 210 LEU L H H X TS+ 0 0 -58.1 -45.1 179.8 51.0 106.4 27.0 205 -3.0 213 -2.9 0 0.0 0 0.0 13 63
210 211 GLY G H H X TS+ 0 0 -59.9 -38.4 178.2 49.6 110.8 26.4 206 -2.3 214 -2.2 0 0.0 0 0.0 16 59
211 212 GLY G H H X TS+ 0 0 -62.4 -47.4 179.2 47.9 112.1 22.8 207 -1.8 215 -2.1 0 0.0 0 0.0 17 69
212 213 VAL V H H X TS+ 0 0 -61.2 -47.6 177.8 51.4 110.0 18.4 208 -2.8 216 -2.2 0 0.0 0 0.0 14 62
213 214 ARG R H H X TS+ 0 0 -54.3 -43.3 179.8 52.0 109.2 23.9 209 -2.9 217 -1.7 0 0.0 0 0.0 9 53
214 215 ALA A H H X TS+ 0 0 -61.7 -42.6 179.1 51.9 107.4 24.4 210 -2.2 218 -0.9 0 0.0 0 0.0 12 51
215 216 THR T H H < >>TS+ 0 0 -62.5 -39.7 176.4 53.5 106.4 27.2 211 -2.1 220 -2.2 0 0.0 218 -0.7 13 53
216 217 GLU E H H < >5TS+ 0 0 -59.7 -41.4 179.8 54.2 105.9 23.5 212 -2.2 219 -1.7 0 0.0 0 0.0 10 41
217 218 GLY G H H < 35TS+ 0 0 -65.9 -20.4 -179.7 54.0 105.3 46.0 213 -1.7 0 0.0 0 0.0 0 0.0 7 31
218 219 GLN Q T h < <5TS- 0 0 -100.7 17.3 176.4 -98.3 125.7 86.0 214 -0.9 0 0.0 215 -0.7 0 0.0 8 34
219 220 GLY G T T <5TS+ 0 0 78.2 22.7 176.5 144.0 72.7 47.5 216 -1.7 0 0.0 0 0.0 0 0.0 6 27
220 221 PHE F t T - 0 0 -89.6 163.7 -178.7 -101.0 29.5 123.9 0 0.0 224 -2.2 0 0.0 0 0.0 9 30
222 223 ALA A G G > TS+ 0 0 -52.1 -37.3 -176.6 63.9 118.0 36.5 0 0.0 225 -1.7 0 0.0 0 0.0 11 40
223 224 ALA A G G 3 TS+ 0 0 -60.4 -26.5 -175.2 50.1 103.1 37.1 0 0.0 0 0.0 0 0.0 0 0.0 7 38
224 225 ASP D G e < TS+ 0 0 -97.2 9.9 -178.7 67.5 104.2 73.7 221 -2.2 198 -2.4 0 0.0 0 0.0 10 48
225 226 ILE I E E Bh < T - 198 0 -130.8 135.2 171.7 -177.2 51.9 175.4 222 -1.7 0 0.0 0 0.0 0 0.0 15 56
226 227 ILE I E E Bh + 199 0 -131.9 114.0 172.4 166.0 11.2 161.9 198 -2.2 200 -2.4 0 0.0 0 0.0 15 68
227 228 GLY G E E Bhi - 200 247 -124.9 131.8 177.3 -170.5 12.7 170.6 246 -2.2 248 -2.3 0 0.0 249 -1.2 16 74
228 229 ILE I E E B i - 0 249 -121.2 113.2 -178.8 -157.2 15.0 171.3 200 -0.9 0 0.0 0 0.0 0 0.0 16 73
229 230 GLY G E E B i - 0 250 -82.2 -179.1 173.6 -128.9 9.7 93.0 249 -2.4 251 -2.2 0 0.0 0 0.0 20 72
230 231 ILE I E E B i S+ 0 251 -131.4 129.7 174.8 48.4 81.6 168.8 0 0.0 205 -2.2 0 0.0 0 0.0 12 78
231 232 ASN N S e S- 0 0 137.3 -39.5 177.6 -152.5 70.2 105.8 251 -2.9 233 -2.4 0 0.0 0 0.0 14 72
232 233 GLY G S g > TS+ 0 0 81.9 -67.5 -179.0 66.6 86.6 115.2 0 0.0 235 -1.6 0 0.0 0 0.0 13 65
233 234 VAL V G G > TS+ 0 0 -58.3 -30.9 179.5 56.6 96.3 39.3 231 -2.4 236 -0.7 0 0.0 0 0.0 9 63
234 235 ASP D G G 3 TS+ 0 0 -74.2 -16.0 -176.2 56.6 102.7 53.1 0 0.0 0 0.0 0 0.0 0 0.0 11 57
235 236 ALA A G h > < TS+ 0 0 -94.3 -2.8 -174.4 98.9 74.6 64.7 232 -1.6 239 -2.5 0 0.0 0 0.0 12 60
236 237 VAL V H H > < TS+ 0 0 -59.3 -41.9 -178.1 50.7 81.3 28.2 233 -0.7 240 -1.6 0 0.0 0 0.0 9 51
237 238 SER S H H 4 TS+ 0 0 -63.6 -35.7 178.9 47.3 113.9 25.5 0 0.0 0 0.0 0 0.0 0 0.0 7 42
238 239 GLU E H H 4 > TS+ 0 0 -68.7 -45.3 -178.6 45.8 112.9 18.4 0 0.0 241 -1.2 0 0.0 0 0.0 7 47
239 240 LEU L H H < 3 TS+ 0 0 -70.1 -20.0 179.2 60.5 108.0 49.5 235 -2.5 0 0.0 0 0.0 0 0.0 12 44
240 241 SER S T h < 3 TS+ 0 0 -81.5 -15.0 179.0 112.9 79.0 64.0 236 -1.6 0 0.0 0 0.0 0 0.0 7 32
241 242 LYS K S t < TS- 0 0 -55.7 152.1 177.0 -121.3 76.3 107.0 238 -1.2 0 0.0 0 0.0 0 0.0 7 25
242 243 ALA A S S S+ 0 0 -60.1 -52.4 -176.4 52.1 94.1 16.1 0 0.0 0 0.0 0 0.0 0 0.0 4 16
243 244 GLN Q S S S- 0 0 -95.3 149.2 177.6 -112.1 88.8 132.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
244 245 ALA A - 0 0 -69.4 147.1 177.6 -171.8 37.1 109.1 0 0.0 0 0.0 0 0.0 0 0.0 10 34
245 246 THR T - 0 0 -124.5 -175.9 175.6 -85.2 45.1 134.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
246 247 GLY G S e S+ 0 0 -68.8 -12.1 177.7 91.3 107.0 50.6 0 0.0 227 -2.2 0 0.0 248 -1.0 12 56
247 248 PHE F E E Bi + 227 0 -84.4 100.9 -173.4 176.7 57.5 143.1 0 0.0 0 0.0 0 0.0 0 0.0 16 66
248 249 TYR Y E E B* - 0 0 -80.6 -35.5 -176.6 -44.2 50.7 41.5 227 -2.3 290 -0.6 246 -1.0 0 0.0 11 68
249 250 GLY G E E BiJ - 228 289 -174.9 -174.0 178.7 -116.7 49.7 171.4 227 -1.2 229 -2.4 0 0.0 0 0.0 13 67
250 251 SER S E E BiJ - 229 288 -145.8 149.8 174.1 -118.9 22.0 169.3 288 -2.5 288 -3.3 0 0.0 252 -0.7 14 66
251 252 LEU L E E BiJ - 230 287 -90.2 113.2 -178.5 -149.5 31.6 147.0 229 -2.2 231 -2.9 0 0.0 0 0.0 15 67
252 253 LEU L E E B J + 0 286 -88.7 104.4 174.5 173.7 21.7 145.1 286 -3.2 286 -0.8 250 -0.7 0 0.0 12 63
253 254 PRO P - 0 0 -83.7 -145.4 -175.4 -79.5 45.0 81.4 0 0.0 0 0.0 0 0.0 0 0.0 13 62
254 255 SER S h > T + 0 0 -129.6 73.0 178.4 159.2 49.2 129.4 0 0.0 258 -2.0 0 0.0 0 0.0 9 53
255 256 PRO P H H > TS+ 0 0 -60.2 -28.7 177.6 62.2 81.9 41.7 0 0.0 259 -2.7 0 0.0 0 0.0 11 64
256 257 ASP D H H > TS+ 0 0 -62.0 -44.5 177.0 46.1 104.8 20.8 0 0.0 260 -2.6 0 0.0 0 0.0 10 50
257 258 VAL V H H > >TS+ 0 0 -62.2 -45.3 179.9 52.2 111.6 21.1 0 0.0 261 -2.4 0 0.0 262 -0.6 11 50
258 259 HIS H H H X 5TS+ 0 0 -56.9 -48.5 -177.4 41.9 114.7 21.1 254 -2.0 262 -1.4 0 0.0 0 0.0 13 60
259 260 GLY G H H X 5TS+ 0 0 -66.5 -52.5 -176.5 35.6 123.0 18.9 255 -2.7 263 -1.4 0 0.0 0 0.0 14 64
260 261 TYR Y H H X 5TS+ 0 0 -68.8 -52.0 -173.9 47.1 118.4 18.1 256 -2.6 264 -3.2 0 0.0 0 0.0 14 57
261 262 LYS K H H X 5TS+ 0 0 -62.8 -43.6 179.0 48.6 112.3 24.9 257 -2.4 265 -2.5 0 0.0 0 0.0 9 56
262 263 SER S H H X BJ > T - 249 0 -135.6 -177.9 178.0 -77.8 55.7 138.8 0 0.0 293 -1.8 0 0.0 292 -0.7 10 48
290 291 ARG R T e 4 3 TS+ 0 0 -55.3 -32.6 -176.3 52.1 127.6 32.8 248 -0.6 0 0.0 0 0.0 0 0.0 10 39
291 292 ASP D T T 4 3 TS+ 0 0 -78.2 -28.4 -175.8 17.1 124.1 43.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
292 293 ASN N T h > < TS+ 0 0 -123.9 3.5 -170.0 104.5 86.5 69.0 289 -0.7 296 -2.7 0 0.0 0 0.0 8 33
293 294 PHE F H H X TS+ 0 0 -59.8 -43.1 -176.0 48.6 84.9 23.4 289 -1.8 297 -3.0 0 0.0 0 0.0 11 42
294 295 LYS K H H > TS+ 0 0 -59.6 -46.9 -178.8 45.8 114.8 19.2 0 0.0 298 -2.3 0 0.0 0 0.0 8 33
295 296 GLU E H H > TS+ 0 0 -63.2 -48.1 178.7 47.6 114.2 25.3 0 0.0 299 -2.3 0 0.0 0 0.0 7 27
296 297 GLU E H H X TS+ 0 0 -66.1 -38.1 177.3 48.9 112.4 24.9 292 -2.7 300 -1.0 0 0.0 0 0.0 9 37
297 298 LEU L H H < >TS+ 0 0 -66.4 -38.5 -177.3 46.4 113.8 27.5 293 -3.0 302 -2.6 0 0.0 0 0.0 11 42
298 299 GLU E H H < >5TS+ 0 0 -69.0 -37.7 -179.6 52.9 110.5 27.2 294 -2.3 301 -1.1 0 0.0 0 0.0 10 25
299 300 LYS K H H < 35TS+ 0 0 -69.3 -21.2 178.2 46.4 111.5 47.3 295 -2.3 0 0.0 0 0.0 0 0.0 8 24
300 301 LYS K T h < 35TS- 0 0 -99.2 -2.1 -179.1 -111.6 119.0 68.2 296 -1.0 0 0.0 0 0.0 0 0.0 7 35
301 302 GLY G T T <5TS+ 0 0 82.7 13.8 179.1 106.1 94.6 55.7 298 -1.1 0 0.0 0 0.0 0 0.0 6 29
302 303 LEU L t 5555< >5555< >5555< 5-turns
3-turns >33X33< >33< >>3<< >>3<< >33< >3 3-turns
bridge-2 bbbb cccc dd bridge-2
bridge-1 aaaaaaa aaaaaaa bbbb cccc A A bridge-1
sheets AAAAAAA AAAAAAA AAAAA AAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXXX<<<< 4-turns
summary EEEEEEEetTThHHHHHHHHHHHHHHHHHhEEEEEEEe hHHHHHHHHHHHHHhTteEEEEE SgGGhHHHHHHHHHHhTtEEEEEeS BtTTt BtT summary
sequence NLKLGFLVKQPEEPWFQTEWKFADKAGKDLGFEVIKIAVPDGEKTLNAIDSLAASGAKGFVICTPDPKLGSAIVAKARGYDMKVIAVDDQFVNAKGKPMD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TS EEEE HHHHHHHHHHHHHHHHHHHT GGGEEEEEEE TTSHHHHHHHHHHHHHHHHHT GGGEEEEE SSSSHHHHHHHHHHHHTT TT SEEEE Kabs/Sand
chirality +---+---++++++++++++++++++-+--++++------+++-++++++++++++++++-+--+++--+---+-+-+++++++++++++++++++---- chirality
bends SS SSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSS SS S bends
turns TT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 3< >33< >>3<< >33X33< >33< >>3<< >>3>>>XXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXXX<<<< 4-turns
summary TteEEEEhHHHHHHHHHHHHHHHHHHHhtgGGeEEEEEEEtTThHHHHHHHHHHHHHHHHHhtgGGeEEEEEeSSShHHHHHHHHHHHHhTtTTtSEEEE summary
sequence TVPLVMLAATKIGERQGQELYKEMQKRGWDVKESAVMAITANELDTARRRTTGSMDALKAAGFPEKQIYQVPTKSNDIPGAFDAANSMLVQHPEVKHWLI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand E SSHHHHHHHHHHHHHTT GGGEEEEEESSGGGHHHHTSSS SEEEEEE HHHHHHHHHHHHHHHHHH SEEEE EEEETTTHHHHHHHT Kabs/Sand
chirality +-+-+++++++++++++-+--+++-+---+-+++++++++-+---++----+-++++++++++++++++++-+----++---+++--+-++++++++++- chirality
bends SSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSS S SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >555 5-turns
3-turns >>3<< >>3<< >>3<< >33< >33< >33 3-turns
bridge-2 iiii JJJJ bridge-2
bridge-1 f hhh i*iii eeee JJJJ bridge-1
sheets B BBBBBB BBBBBB AAAA BBBB sheets
4-turns >>>>XXXXXXX<<<< >>44<< >>>>XXXXXXXXXXXX<<<< >44>X>>X<<<< 4-turns
summary E ShHHHHHHHHHHHHHhTtgGGeEEEEEEegGGhHHHHhtSS eEEEEEE hHHHHHHHHHHHHHHHHHHh eEEEE EEEEeThHHHHHHHh summary
sequence VGMNDSTVLGGVRATEGQGFKAADIIGIGINGVDAVSELSKAQATGFYGSLLPSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKK sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand T Kabs/Sand
chirality +-- chirality
bends S bends
turns TT turns
5-turns 5< 5-turns
3-turns < 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary Tt summary
sequence GLGGK sequence