Secondary structure calculation program - copyright by David Keith Smith, 1989
1itxA.pdb
1ITX HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 419
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 33 A LEU L 0 0 999.9 132.3 165.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 34 A GLN Q - 0 0 -56.2 140.9 177.4 -90.4 999.9 119.1 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 A 35 A PRO P - 0 0 -62.4 128.5 -172.3 -116.3 53.3 116.0 0 0.0 0 0.0 0 0.0 0 0.0 4 7
4 A 36 A ALA A - 0 0 -75.6 148.0 -179.2 -102.1 23.2 107.1 0 0.0 0 0.0 0 0.0 0 0.0 4 10
5 A 37 A THR T - 0 0 -70.2 133.4 178.8 -120.7 37.6 116.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10
6 A 38 A ALA A + 0 0 -76.3 136.8 175.5 177.6 35.1 123.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
7 A 39 A GLU E g > T - 0 0 -138.2 151.5 180.0 -111.9 43.9 168.9 0 0.0 10 -1.8 0 0.0 0 0.0 6 14
8 A 40 A ALA A G G > TS+ 0 0 -47.0 -37.5 -177.7 60.3 118.0 31.7 0 0.0 11 -1.5 0 0.0 0 0.0 5 21
9 A 41 A ALA A G G > TS+ 0 0 -64.0 -31.2 -179.3 81.1 80.5 35.8 0 0.0 12 -3.0 0 0.0 0 0.0 6 32
10 A 42 A ASP D G G < TS+ 0 0 -47.2 -17.1 -173.0 57.6 92.0 44.4 7 -1.8 0 0.0 0 0.0 0 0.0 7 29
11 A 43 SER S G G < TS+ 0 0 -105.5 6.6 173.9 121.3 71.8 70.0 8 -1.5 0 0.0 0 0.0 0 0.0 6 38
12 A 44 TYR Y g < T - 0 0 -67.2 140.9 172.0 -133.0 56.6 117.9 9 -3.0 0 0.0 0 0.0 0 0.0 9 51
13 A 45 LYS K E E Aa - 397 0 -87.5 146.0 169.4 -166.5 16.0 135.1 396 -2.5 398 -2.2 0 0.0 0 0.0 12 56
14 A 46 ILE I E E Aa - 398 0 -131.6 107.7 -171.6 -170.4 11.2 160.5 0 0.0 39 -2.6 0 0.0 40 -2.0 13 63
15 A 47 VAL V E E Aab - 399 40 -108.3 107.9 -178.0 -169.4 3.1 152.6 398 -2.7 400 -2.6 0 0.0 0 0.0 12 74
16 A 48 GLY G E E Aab - 400 41 -102.5 133.7 173.4 -136.5 14.0 149.7 40 -2.5 42 -2.0 0 0.0 0 0.0 13 70
17 A 49 TYR Y E E A b - 0 42 -84.7 139.0 168.4 -166.1 11.9 132.0 400 -2.2 403 -2.9 0 0.0 0 0.0 13 73
18 A 50 TYR Y E E A b - 0 43 -117.9 113.6 177.3 -147.7 13.8 167.7 42 -2.7 44 -2.6 0 0.0 0 0.0 14 70
19 A 51 PRO P E E A b> T - 0 44 -83.3 131.5 -173.1 -136.1 12.5 134.2 0 0.0 22 -2.3 0 0.0 0 0.0 9 66
20 A 52 SER S G e > TS+ 0 0 -56.0 -33.2 -175.8 61.5 101.6 34.6 44 -3.2 23 -1.4 0 0.0 0 0.0 12 57
21 A 53 TRP W G G >>TS+ 0 0 -76.0 -8.4 173.9 84.7 78.5 54.9 0 0.0 24 -1.9 0 0.0 26 -0.5 7 46
22 A 54 ALA A G G <5TS+ 0 0 -58.8 -26.2 -178.5 67.5 80.8 38.0 19 -2.3 28 -2.6 0 0.0 0 0.0 12 43
23 A 55 ALA A G G <5TS+ 0 0 -75.2 -4.9 173.8 61.7 96.0 60.3 20 -1.4 0 0.0 0 0.0 0 0.0 12 44
24 A 56 TYR Y T g X5TS- 0 0 -89.9 -129.7 -171.2 -22.0 124.8 66.2 21 -1.9 27 -2.4 0 0.0 0 0.0 7 29
25 A 57 GLY G T T 35TS+ 0 0 -60.2 -27.0 175.3 68.4 128.4 45.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
26 A 58 ARG R T T 3 T - 0 0 -94.8 159.6 175.7 -111.8 36.1 120.1 27 -0.5 32 -1.9 0 0.0 0 0.0 9 47
30 A 62 VAL V G G > TS+ 0 0 -54.3 -38.1 -178.0 61.4 118.1 25.6 0 0.0 33 -2.0 0 0.0 0 0.0 10 62
31 A 63 ALA A G G 3 TS+ 0 0 -69.1 -12.3 173.1 64.5 93.7 52.9 0 0.0 0 0.0 0 0.0 0 0.0 8 47
32 A 64 ASP D G G < TS+ 0 0 -79.0 -16.3 -179.3 104.7 80.9 52.3 29 -1.9 0 0.0 0 0.0 0 0.0 6 45
33 A 65 ILE I g < T - 0 0 -67.8 137.1 169.4 -141.8 67.9 116.0 30 -2.0 0 0.0 0 0.0 0 0.0 7 55
34 A 66 A ASP D g > T - 0 0 -95.3 105.2 -174.7 -163.5 12.9 152.7 0 0.0 37 -1.9 0 0.0 0 0.0 7 46
35 A 67 A PRO P G G > TS+ 0 0 -64.9 -23.1 179.4 74.8 80.1 41.4 0 0.0 38 -1.6 0 0.0 0 0.0 9 46
36 A 68 A THR T G G 3 TS+ 0 0 -63.0 -13.5 -176.2 61.7 89.0 47.1 0 0.0 0 0.0 0 0.0 0 0.0 6 40
37 A 69 LYS K G G < TS+ 0 0 -88.7 -12.4 -173.1 42.5 105.5 51.1 34 -1.9 0 0.0 0 0.0 0 0.0 9 52
38 A 70 VAL V g < T - 0 0 -132.2 158.9 171.0 -153.7 54.3 151.0 35 -1.6 0 0.0 0 0.0 0 0.0 14 58
39 A 71 THR T S e S+ 0 0 -96.9 -29.6 -176.2 18.3 88.9 46.5 14 -2.6 124 -1.6 0 0.0 0 0.0 12 51
40 A 72 HIS H E E Abc - 15 124 -141.4 146.0 168.3 -151.4 62.8 173.6 14 -2.0 16 -2.5 0 0.0 0 0.0 12 65
41 A 73 ILE I E E Abc - 16 125 -117.7 127.0 170.2 -154.3 9.0 171.7 124 -2.1 126 -2.8 0 0.0 43 -0.6 13 69
42 A 74 ASN N E E Abc - 17 126 -94.4 122.2 178.2 -144.8 14.1 154.7 16 -2.0 18 -2.7 0 0.0 44 -0.6 13 73
43 A 75 TYR Y E E Abc - 18 127 -91.6 119.7 -174.5 -121.1 23.1 141.5 126 -3.0 128 -2.6 41 -0.6 45 -0.6 12 77
44 A 76 ALA A E E Abc + 19 128 -108.1 115.3 4.3 15.0 67.6 154.8 18 -2.6 20 -3.2 42 -0.6 0 0.0 13 65
45 A 77 PHE F E E A * + 0 0 -147.7 162.0 158.5 156.6 34.7 47.5 128 -0.7 87 -0.5 43 -0.6 0 0.0 13 67
46 A 78 ALA A E E ADc - 86 129 -95.5 161.5 -175.7 -148.8 36.7 133.0 128 -2.6 130 -2.1 0 0.0 0 0.0 13 73
47 A 79 ASP D E E AD - 85 0 -123.6 -176.6 -177.6 -105.4 12.6 129.1 85 -2.7 85 -2.4 0 0.0 0 0.0 13 72
48 A 80 ILE I E E AD - 84 0 -120.5 128.1 178.5 -132.5 27.4 164.0 0 0.0 0 0.0 0 0.0 0 0.0 15 69
49 A 81 CYS C e + 0 0 -79.5 139.3 172.7 175.7 25.4 125.9 83 -2.9 82 -2.7 0 0.0 0 0.0 15 55
50 A 82 TRP W B B A > TS- 53 0 -143.9 120.8 -177.2 -13.5 72.2 162.9 53 -2.9 53 -1.6 0 0.0 0 0.0 11 48
51 A 83 ASN N T T 3 TS- 0 0 54.6 37.0 173.6 -56.6 127.1 33.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
52 A 84 GLY G T e 3 TS+ 0 0 82.1 0.1 178.1 80.8 123.1 62.2 0 0.0 69 -2.3 0 0.0 0 0.0 12 30
53 A 85 ILE I E E BEA< T - 68 50 -128.9 170.2 177.2 -159.1 57.2 145.8 50 -1.6 50 -2.9 0 0.0 0 0.0 10 38
54 A 86 HIS H E E BE + 67 0 -148.3 158.7 175.9 62.2 39.4 172.8 67 -2.6 67 -2.4 0 0.0 0 0.0 12 52
55 A 87 GLY G E E BE S- 66 0 123.9 -162.4 -174.0 -83.2 70.3 143.2 0 0.0 0 0.0 0 0.0 0 0.0 12 50
56 A 88 ASN N E E BE - 65 0 -149.9 108.5 178.7 -170.7 20.1 154.0 65 -1.3 65 -0.6 0 0.0 0 0.0 11 47
57 A 89 PRO P + 0 0 -80.1 4.1 -177.8 135.7 42.1 63.1 0 0.0 0 0.0 0 0.0 0 0.0 9 30
58 A 90 ASP D t > T - 0 0 -57.3 117.7 -174.4 -150.1 48.9 107.5 0 0.0 61 -1.8 0 0.0 0 0.0 9 26
59 A 91 PRO P T T 3 TS+ 0 0 -73.1 -5.4 175.5 69.7 89.9 54.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
60 A 92 SER S T T 3 TS+ 0 0 -85.2 -6.7 173.2 77.8 90.5 59.5 0 0.0 0 0.0 0 0.0 0 0.0 7 22
61 A 93 GLY G S t < TS- 0 0 -94.8 165.1 -178.2 -115.6 90.6 126.3 58 -1.8 0 0.0 0 0.0 0 0.0 9 28
62 A 94 PRO P S S S+ 0 0 -76.7 -10.8 -177.4 38.8 106.6 55.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
63 A 95 ASN N + 0 0 -140.9 71.4 -174.2 176.8 65.1 124.1 0 0.0 65 -2.2 0 0.0 0 0.0 8 32
64 A 96 PRO P + 0 0 -80.7 69.4 -170.4 114.9 41.6 113.0 0 0.0 0 0.0 0 0.0 0 0.0 11 26
65 A 97 VAL V E E BE - 56 0 -140.8 144.6 170.8 -157.9 46.3 165.4 63 -2.2 56 -1.3 56 -0.6 0 0.0 7 28
66 A 98 THR T E E BE - 55 0 -121.1 161.1 -177.5 -175.6 10.1 152.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
67 A 99 TRP W E E BE - 54 0 -144.5 160.7 172.1 -88.2 35.2 161.1 54 -2.4 54 -2.6 0 0.0 0 0.0 7 37
68 A 100 THR T E E BE - 53 0 -68.8 153.3 171.3 -100.2 50.1 114.2 0 0.0 0 0.0 0 0.0 0 0.0 9 37
69 A 101 CYS C e - 0 0 -71.3 131.8 -170.0 -178.7 56.2 128.9 52 -2.3 77 -2.6 0 0.0 0 0.0 14 43
70 A 102 GLN Q B B B - 76 0 -137.4 160.2 171.3 -121.6 26.6 151.0 0 0.0 86 -0.6 0 0.0 0 0.0 12 41
71 A 103 ASN N t > T - 0 0 -89.0 -173.2 -171.3 -77.9 54.4 100.7 75 -2.3 74 -2.1 0 0.0 0 0.0 11 43
72 A 104 GLU E T T 3 TS+ 0 0 -68.2 -14.0 177.1 55.9 130.6 50.7 0 0.0 0 0.0 0 0.0 0 0.0 12 42
73 A 105 LYS K T T 3 TS- 0 0 -99.2 10.7 178.6 -107.6 119.0 77.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
74 A 106 SER S S t < TS+ 0 0 67.7 26.1 174.9 142.0 74.1 44.0 71 -2.1 0 0.0 0 0.0 0 0.0 9 31
75 A 107 GLN Q - 0 0 -99.0 137.7 -178.8 -105.5 58.5 142.6 0 0.0 71 -2.3 0 0.0 0 0.0 7 26
76 A 108 THR T B B B - 70 0 -63.2 136.3 178.5 -166.0 39.5 111.6 0 0.0 0 0.0 0 0.0 0 0.0 8 29
77 A 109 ILE I - 0 0 -123.8 152.7 176.5 -131.1 21.5 151.1 69 -2.6 79 -0.7 0 0.0 0 0.0 9 31
78 A 110 ASN N + 0 0 -104.6 103.1 -179.0 157.7 42.6 155.4 0 0.0 0 0.0 0 0.0 0 0.0 6 27
79 A 111 VAL V - 0 0 -125.8 154.4 -178.1 -93.4 43.7 155.3 77 -0.7 0 0.0 0 0.0 0 0.0 8 37
80 A 112 PRO P t > T - 0 0 -69.1 151.4 175.1 -84.4 52.4 108.6 0 0.0 83 -1.9 0 0.0 0 0.0 10 37
81 A 113 ASN N T T 3 TS+ 0 0 -51.5 132.0 -178.2 35.0 117.1 104.1 0 0.0 0 0.0 0 0.0 0 0.0 12 40
82 A 114 GLY G T T 3 TS+ 0 0 100.3 -5.3 178.9 141.3 81.2 73.0 49 -2.7 0 0.0 0 0.0 0 0.0 12 58
83 A 115 THR T e < T - 0 0 -70.9 131.2 171.7 -122.5 54.9 119.5 80 -1.9 49 -2.9 0 0.0 0 0.0 12 60
84 A 116 ILE I E E AD - 48 0 -70.9 128.9 -178.3 -176.4 39.4 129.0 0 0.0 0 0.0 0 0.0 0 0.0 13 72
85 A 117 VAL V E E AD - 47 0 -126.6 155.6 170.7 -83.9 35.4 152.3 47 -2.4 47 -2.7 0 0.0 0 0.0 12 69
86 A 118 LEU L E E AD - 46 0 -52.8 132.7 178.6 -146.2 33.9 110.9 70 -0.6 0 0.0 0 0.0 0 0.0 13 68
87 A 119 GLY G S e S+ 0 0 -72.6 -34.3 -176.5 6.6 89.6 31.6 45 -0.5 0 0.0 0 0.0 0 0.0 8 67
88 A 120 ASP D S h > TS- 0 0 -150.5 79.6 -174.6 -171.1 70.6 131.4 0 0.0 92 -2.9 0 0.0 0 0.0 8 55
89 A 121 PRO P H H > >TS+ 0 0 -47.8 -46.9 -176.0 57.0 81.0 31.5 0 0.0 93 -2.8 0 0.0 94 -1.4 13 51
90 A 122 TRP W H H > >TS+ 0 0 -54.5 -53.5 -177.8 28.9 119.2 15.4 0 0.0 95 -2.7 0 0.0 94 -1.1 11 39
91 A 123 ILE I H H 4 5TS+ 0 0 -77.2 -30.3 -176.6 53.3 122.0 35.4 0 0.0 109 -3.1 0 0.0 0 0.0 12 46
92 A 124 ASP D H H < 5TS- 0 0 -70.1 -43.7 -171.0 -11.0 137.3 25.7 88 -2.9 110 -2.8 0 0.0 0 0.0 15 60
93 A 125 THR T H H < 5TS+ 0 0 -138.1 -9.5 -174.0 63.7 124.2 62.0 89 -2.8 107 -2.6 0 0.0 0 0.0 14 55
94 A 126 GLY G T h < T - 0 0 -135.5 170.4 -178.5 -53.7 45.0 145.4 0 0.0 100 -2.5 0 0.0 0 0.0 8 34
98 A 130 A ALA A T T 3 TS+ 0 0 -53.4 128.3 179.3 25.1 125.0 103.6 0 0.0 0 0.0 0 0.0 0 0.0 4 28
99 A 131 A GLY G T T 3 TS+ 0 0 102.6 -19.4 178.3 117.8 93.5 82.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
100 A 132 A ASP D t < T - 0 0 -75.5 144.5 166.1 -175.5 40.5 119.3 97 -2.5 0 0.0 0 0.0 0 0.0 8 28
101 A 133 A THR T - 0 0 -131.2 177.7 -173.6 -100.3 42.9 153.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
102 A 134 A TRP W S S S+ 0 0 -63.7 -31.4 -174.7 73.4 110.3 27.1 0 0.0 104 -1.8 0 0.0 0 0.0 4 17
103 A 135 ASP D S S S+ 0 0 -87.1 55.6 173.6 89.5 77.4 114.4 0 0.0 0 0.0 0 0.0 0 0.0 4 17
104 A 136 GLN Q S S S- 0 0 -147.6 147.1 -176.0 -126.5 73.8 167.9 102 -1.8 0 0.0 0 0.0 0 0.0 7 26
105 A 137 PRO P S S S+ 0 0 -62.2 -38.7 -178.5 15.9 88.0 32.3 0 0.0 0 0.0 0 0.0 0 0.0 4 32
106 A 138 ILE I + 0 0 -140.6 152.0 175.1 171.9 54.4 166.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
107 A 139 ALA A h > T + 0 0 -123.3 -135.8 178.5 84.4 39.2 96.1 93 -2.6 111 -1.8 0 0.0 0 0.0 15 41
108 A 140 GLY G H H > TS- 0 0 66.0 -170.5 178.4 -41.7 101.3 89.0 95 -2.8 112 -1.6 0 0.0 0 0.0 14 53
109 A 141 ASN N H H > TS+ 0 0 -59.7 -38.3 -175.5 58.8 134.6 32.2 91 -3.1 113 -1.9 0 0.0 0 0.0 14 60
110 A 142 ILE I H H > TS+ 0 0 -65.1 -44.0 176.2 47.8 104.8 21.6 92 -2.8 114 -1.9 0 0.0 0 0.0 11 68
111 A 143 ASN N H H X TS+ 0 0 -62.5 -35.5 177.0 55.4 109.7 25.7 107 -1.8 115 -2.0 0 0.0 0 0.0 11 58
112 A 144 GLN Q H H X TS+ 0 0 -64.7 -33.9 174.7 54.4 103.7 31.3 108 -1.6 116 -1.8 0 0.0 0 0.0 12 54
113 A 145 LEU L H H X TS+ 0 0 -62.4 -41.9 178.2 49.4 107.9 23.8 109 -1.9 117 -0.9 0 0.0 0 0.0 11 65
114 A 146 ASN N H H X > TS+ 0 0 -66.6 -32.4 173.8 56.4 106.7 29.0 110 -1.9 118 -1.9 0 0.0 117 -0.5 10 52
115 A 147 LYS K H H X 3 TS+ 0 0 -63.4 -37.5 178.8 59.3 99.4 29.2 111 -2.0 119 -2.2 0 0.0 0 0.0 8 43
116 A 148 LEU L H H X 3 TS+ 0 0 -60.3 -30.8 179.5 49.0 106.6 34.3 112 -1.8 120 -1.6 0 0.0 0 0.0 12 44
117 A 149 A LYS K H H < < TS+ 0 0 -72.5 -45.6 179.3 55.2 105.2 22.3 113 -0.9 0 0.0 114 -0.5 0 0.0 11 36
118 A 150 A GLN Q H H < TS+ 0 0 -52.8 -44.1 -178.0 36.0 118.6 23.5 114 -1.9 0 0.0 0 0.0 0 0.0 7 26
119 A 151 A THR T H H < TS+ 0 0 -81.7 -26.6 -179.0 31.2 131.8 40.5 115 -2.2 0 0.0 0 0.0 0 0.0 6 26
120 A 152 A ASN N S h < > TS- 0 0 -132.8 78.2 -170.6 -174.8 73.2 137.6 116 -1.6 123 -2.1 0 0.0 0 0.0 9 25
121 A 153 A PRO P T T 3 TS+ 0 0 -61.1 -11.3 175.2 65.7 74.8 55.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
122 A 154 A ASN N T T 3 TS+ 0 0 -80.2 -17.0 -176.8 104.6 80.5 46.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
123 A 155 A LEU L t < T - 0 0 -67.5 143.6 172.9 -158.6 53.4 108.4 120 -2.1 0 0.0 0 0.0 0 0.0 12 45
124 A 156 LYS K E E Ac - 40 0 -117.7 145.3 177.8 -149.5 5.4 160.5 39 -1.6 41 -2.1 0 0.0 0 0.0 10 55
125 A 157 THR T E E Ac - 41 0 -116.0 143.7 -176.6 -170.6 10.4 156.6 0 0.0 165 -2.7 0 0.0 166 -0.8 13 66
126 A 158 ILE I E E Acf - 42 166 -133.5 134.9 175.8 -133.7 19.3 172.6 41 -2.8 43 -3.0 0 0.0 128 -0.6 14 71
127 A 159 ILE I E E Acf - 43 167 -90.4 124.8 174.5 -149.1 19.6 143.9 166 -2.3 168 -2.9 0 0.0 0 0.0 14 68
128 A 160 SER S E E Acf - 44 168 -92.6 129.6 177.7 -156.6 8.6 145.4 43 -2.6 46 -2.6 126 -0.6 45 -0.7 14 75
129 A 161 VAL V E E Acf - 46 169 -105.2 130.5 171.6 -7.4 56.9 153.7 168 -3.0 170 -3.0 0 0.0 131 -0.6 16 69
130 A 162 GLY G E E A f + 0 170 104.2 -116.2 -173.5 174.7 59.6 144.4 46 -2.1 0 0.0 0 0.0 0 0.0 16 62
131 A 163 GLY G e - 0 0 89.8 -171.1 -174.5 -41.6 63.3 114.4 170 -2.4 0 0.0 129 -0.6 0 0.0 12 63
132 A 164 TRP W S S S+ 0 0 -60.0 -42.1 -173.8 36.0 140.2 30.7 0 0.0 0 0.0 0 0.0 0 0.0 10 54
133 A 165 THR T S S S+ 0 0 -86.1 -27.8 -175.6 44.8 120.2 42.6 0 0.0 0 0.0 0 0.0 0 0.0 12 47
134 A 166 TRP W S S S+ 0 0 -116.2 41.6 175.0 96.1 80.3 102.1 0 0.0 0 0.0 0 0.0 0 0.0 12 63
135 A 167 SER S t > T + 0 0 -103.1 5.0 -172.4 101.3 53.5 69.7 0 0.0 138 -0.8 0 0.0 0 0.0 14 64
136 A 168 ASN N T T 3 TS+ 0 0 -70.1 -16.7 -179.8 38.7 85.0 50.5 0 0.0 183 -2.2 0 0.0 0 0.0 11 59
137 A 169 ARG R T h > 3 TS+ 0 0 -112.4 -3.9 -179.3 93.8 85.7 63.8 0 0.0 141 -2.6 0 0.0 0 0.0 11 62
138 A 170 PHE F H H > < TS+ 0 0 -56.2 -43.5 -176.4 51.5 87.1 25.0 135 -0.8 142 -2.8 0 0.0 0 0.0 9 74
139 A 171 SER S H H > TS+ 0 0 -60.8 -42.6 178.8 48.2 110.8 24.8 0 0.0 143 -1.0 0 0.0 0 0.0 12 60
140 A 172 ASP D H H 4 TS+ 0 0 -64.2 -42.4 176.2 47.2 113.6 23.0 0 0.0 0 0.0 0 0.0 0 0.0 10 52
141 A 173 VAL V H H < > TS+ 0 0 -61.8 -47.3 -171.7 45.9 114.6 22.5 137 -2.6 144 -0.7 0 0.0 0 0.0 12 60
142 A 174 ALA A H H < 3 TS+ 0 0 -73.6 -12.8 -169.4 81.4 95.2 50.0 138 -2.8 0 0.0 0 0.0 0 0.0 14 55
143 A 175 ALA A T h < 3 TS+ 0 0 -72.7 -24.3 -179.8 28.7 94.8 44.2 139 -1.0 0 0.0 0 0.0 0 0.0 11 40
144 A 176 THR T S h > < TS- 0 0 -138.3 159.3 -177.9 -118.2 74.3 162.3 141 -0.7 148 -2.1 0 0.0 0 0.0 8 36
145 A 177 ALA A H H > TS+ 0 0 -59.3 -40.5 -173.7 56.9 109.9 28.4 0 0.0 149 -2.4 0 0.0 0 0.0 7 33
146 A 178 ALA A H H > TS+ 0 0 -64.4 -43.6 -179.8 40.9 110.5 24.7 0 0.0 150 -2.1 0 0.0 0 0.0 6 31
147 A 179 THR T H H > TS+ 0 0 -76.8 -29.2 172.7 55.4 112.2 32.4 0 0.0 151 -2.6 0 0.0 0 0.0 13 38
148 A 180 ARG R H H X TS+ 0 0 -63.0 -39.9 179.0 48.0 110.4 23.3 144 -2.1 152 -2.6 0 0.0 0 0.0 15 44
149 A 181 GLU E H H X TS+ 0 0 -65.1 -47.5 177.6 48.3 111.6 23.3 145 -2.4 153 -2.7 0 0.0 0 0.0 10 41
150 A 182 VAL V H H X TS+ 0 0 -57.2 -48.6 -177.2 47.0 113.9 20.1 146 -2.1 154 -2.3 0 0.0 0 0.0 12 44
151 A 183 PHE F H H X TS+ 0 0 -61.7 -48.0 -178.6 48.0 113.3 18.2 147 -2.6 155 -1.7 0 0.0 0 0.0 13 60
152 A 184 ALA A H H X TS+ 0 0 -61.0 -47.0 177.4 46.0 113.6 22.8 148 -2.6 156 -1.7 0 0.0 0 0.0 12 62
153 A 185 ASN N H H X TS+ 0 0 -63.6 -36.4 -179.6 54.1 111.0 27.4 149 -2.7 157 -2.4 0 0.0 0 0.0 10 46
154 A 186 SER S H H X TS+ 0 0 -69.9 -24.7 175.5 57.6 102.4 36.6 150 -2.3 158 -2.3 0 0.0 0 0.0 10 60
155 A 187 ALA A H H X TS+ 0 0 -68.8 -44.3 173.5 46.6 108.2 22.4 151 -1.7 159 -2.6 0 0.0 0 0.0 11 66
156 A 188 VAL V H H X TS+ 0 0 -58.3 -47.5 -179.8 51.8 111.8 20.4 152 -1.7 160 -2.6 0 0.0 0 0.0 11 53
157 A 189 ASP D H H X TS+ 0 0 -55.2 -47.1 -177.3 45.7 112.1 24.2 153 -2.4 161 -2.3 0 0.0 0 0.0 8 45
158 A 190 PHE F H H X TS+ 0 0 -64.3 -47.7 179.4 48.4 113.1 22.5 154 -2.3 162 -2.5 0 0.0 0 0.0 12 59
159 A 191 LEU L H H X >TS+ 0 0 -59.4 -42.8 -178.9 46.1 115.2 22.5 155 -2.6 164 -1.2 0 0.0 163 -1.1 13 59
160 A 192 ARG R H H < 5TS+ 0 0 -68.6 -42.4 -178.1 44.5 115.4 28.1 156 -2.6 0 0.0 0 0.0 0 0.0 8 43
161 A 193 LYS K H H < 5TS+ 0 0 -68.4 -42.3 -169.6 31.6 124.6 23.8 157 -2.3 0 0.0 0 0.0 0 0.0 6 42
162 A 194 TYR Y H H < 5TS- 0 0 -105.4 6.7 178.3 -117.3 105.7 69.3 158 -2.5 0 0.0 0 0.0 0 0.0 8 50
163 A 195 ASN N T h < 5T + 0 0 56.9 44.4 166.6 163.4 52.6 29.3 159 -1.1 0 0.0 0 0.0 0 0.0 8 52
164 A 196 PHE F t T - 0 0 -62.5 143.0 -177.2 -123.3 65.8 111.1 0 0.0 182 -2.1 0 0.0 0 0.0 11 37
180 A 212 ASP D T T 3 TS+ 0 0 -59.3 -31.1 -178.8 61.0 107.6 37.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
181 A 213 GLY G T T 3 TS+ 0 0 -78.6 2.5 179.6 115.3 79.3 66.8 0 0.0 0 0.0 0 0.0 0 0.0 6 36
182 A 214 ASN N S t < TS- 0 0 -72.1 142.0 168.1 -110.5 75.9 119.7 179 -2.1 0 0.0 0 0.0 0 0.0 9 44
183 A 215 A SER S + 0 0 -61.8 142.0 -178.5 177.4 48.3 118.1 136 -2.2 0 0.0 0 0.0 0 0.0 9 44
184 A 216 LYS K + 0 0 -150.7 146.4 176.3 176.7 15.8 172.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
185 A 217 ARG R t > T - 0 0 -147.0 148.2 173.9 -123.4 38.8 172.9 0 0.0 188 -2.0 0 0.0 0 0.0 8 36
186 A 218 PRO P T T > TS+ 0 0 -54.9 -39.8 -177.1 60.5 113.6 27.0 0 0.0 189 -1.4 0 0.0 0 0.0 6 29
187 A 219 GLU E T h > 3 TS+ 0 0 -71.7 -3.7 171.9 95.1 73.3 60.6 0 0.0 191 -2.9 0 0.0 0 0.0 8 30
188 A 220 ASP D H H > < TS+ 0 0 -50.0 -34.1 -179.3 67.5 76.3 33.4 185 -2.0 192 -2.4 0 0.0 0 0.0 15 49
189 A 221 LYS K H H > < TS+ 0 0 -53.7 -55.7 180.0 25.7 113.0 19.2 186 -1.4 193 -0.8 0 0.0 0 0.0 12 43
190 A 222 GLN Q H H > TS+ 0 0 -77.4 -34.9 -175.5 60.3 118.8 33.3 0 0.0 194 -1.8 0 0.0 0 0.0 9 40
191 A 223 ASN N H H X TS+ 0 0 -64.5 -35.5 179.6 56.9 98.9 31.1 187 -2.9 195 -2.5 0 0.0 0 0.0 10 44
192 A 224 TYR Y H H X TS+ 0 0 -60.9 -45.4 -179.3 51.2 105.9 21.5 188 -2.4 196 -2.5 0 0.0 0 0.0 11 67
193 A 225 THR T H H X TS+ 0 0 -58.9 -45.2 180.0 46.6 111.7 22.9 189 -0.8 197 -2.4 0 0.0 0 0.0 12 57
194 A 226 A LEU L H H X TS+ 0 0 -66.8 -36.9 174.3 54.3 109.3 28.0 190 -1.8 198 -2.4 0 0.0 0 0.0 10 46
195 A 227 LEU L H H X TS+ 0 0 -57.2 -50.4 179.9 46.1 111.2 19.1 191 -2.5 199 -2.4 0 0.0 0 0.0 11 59
196 A 228 LEU L H H X TS+ 0 0 -60.9 -43.1 178.2 52.0 111.0 25.2 192 -2.5 200 -2.7 0 0.0 0 0.0 11 64
197 A 229 SER S H H X TS+ 0 0 -60.7 -40.9 179.9 48.7 110.3 24.8 193 -2.4 201 -2.3 0 0.0 0 0.0 9 52
198 A 230 LYS K H H X TS+ 0 0 -68.2 -40.8 175.4 50.5 110.5 24.5 194 -2.4 202 -2.1 0 0.0 0 0.0 11 45
199 A 231 ILE I H H X TS+ 0 0 -60.0 -45.2 179.5 50.9 110.0 19.1 195 -2.4 203 -2.8 0 0.0 0 0.0 14 59
200 A 232 ARG R H H X TS+ 0 0 -59.8 -42.6 177.9 54.0 107.5 25.7 196 -2.7 204 -2.7 0 0.0 0 0.0 11 47
201 A 233 A GLU E H H X TS+ 0 0 -55.3 -47.7 -177.8 43.3 112.2 21.3 197 -2.3 205 -2.0 0 0.0 0 0.0 8 39
202 A 234 LYS K H H X TS+ 0 0 -69.5 -38.3 176.5 50.2 114.0 27.7 198 -2.1 206 -2.6 0 0.0 0 0.0 11 43
203 A 235 LEU L H H X TS+ 0 0 -65.8 -35.5 178.6 53.6 108.4 29.9 199 -2.8 207 -2.6 0 0.0 0 0.0 12 48
204 A 236 ASP D H H X TS+ 0 0 -64.4 -45.7 179.1 43.7 112.4 20.7 200 -2.7 208 -2.0 0 0.0 0 0.0 10 35
205 A 237 ALA A H H X TS+ 0 0 -64.4 -47.0 -178.5 49.5 114.4 20.1 201 -2.0 209 -1.8 0 0.0 0 0.0 8 29
206 A 238 ALA A H H X TS+ 0 0 -61.6 -40.0 178.6 50.9 110.2 26.1 202 -2.6 210 -2.9 0 0.0 0 0.0 9 33
207 A 239 GLY G H H X >TS+ 0 0 -64.8 -38.7 174.9 53.5 107.3 26.9 203 -2.6 211 -1.7 0 0.0 212 -1.5 11 31
208 A 240 ALA A H H < 5TS+ 0 0 -61.0 -37.4 177.9 41.0 115.5 32.8 204 -2.0 0 0.0 0 0.0 0 0.0 9 18
209 A 241 VAL V H H < 5TS+ 0 0 -72.7 -43.3 -165.1 41.9 120.0 25.5 205 -1.8 0 0.0 0 0.0 0 0.0 6 18
210 A 242 ASP D H H < 5TS- 0 0 -90.8 -10.9 -179.7 -115.6 107.5 56.7 206 -2.9 0 0.0 0 0.0 0 0.0 6 24
211 A 243 GLY G T h < 5TS+ 0 0 78.8 36.9 175.9 82.1 78.4 33.8 207 -1.7 0 0.0 0 0.0 0 0.0 6 20
212 A 244 LYS K S t TS- 0 0 -83.2 161.1 174.8 -117.7 80.3 114.1 0 0.0 227 -1.7 0 0.0 0 0.0 9 53
224 A 256 ALA A H H > TS+ 0 0 -63.1 -31.4 177.7 60.3 115.5 32.8 0 0.0 228 -2.1 0 0.0 0 0.0 9 41
225 A 257 THR T H H > TS+ 0 0 -63.2 -43.1 178.9 51.5 102.0 23.8 0 0.0 229 -1.5 0 0.0 0 0.0 6 40
226 A 258 TYR Y H H 4 TS+ 0 0 -59.3 -46.5 179.6 48.9 110.4 21.1 0 0.0 0 0.0 0 0.0 0 0.0 12 56
227 A 259 ALA A H H < > TS+ 0 0 -61.1 -38.4 177.1 49.9 111.1 29.6 223 -1.7 230 -0.8 0 0.0 0 0.0 14 50
228 A 260 ALA A H H < 3 TS+ 0 0 -69.1 -25.0 -175.6 50.2 111.5 40.2 224 -2.1 0 0.0 0 0.0 0 0.0 7 38
229 A 261 ASN N T h < 3 TS+ 0 0 -97.7 4.9 -179.9 51.6 110.7 71.4 225 -1.5 0 0.0 0 0.0 0 0.0 11 37
230 A 262 THR T S t < TS- 0 0 -137.7 162.8 179.3 -121.5 78.7 157.1 227 -0.8 232 -1.0 0 0.0 0 0.0 12 57
231 A 263 GLU E h > T + 0 0 -102.8 73.1 -169.7 173.4 37.3 133.4 0 0.0 235 -2.9 0 0.0 0 0.0 11 47
232 A 264 LEU L H H > TS+ 0 0 -57.3 -41.1 178.6 50.3 74.1 30.6 230 -1.0 236 -2.7 0 0.0 0 0.0 11 58
233 A 265 ALA A H H > TS+ 0 0 -62.9 -42.4 179.4 44.7 114.5 22.7 0 0.0 237 -1.5 0 0.0 0 0.0 9 41
234 A 266 LYS K H H > TS+ 0 0 -67.8 -40.7 177.7 50.6 113.4 24.6 0 0.0 238 -1.0 0 0.0 0 0.0 8 40
235 A 267 ILE I H H X > TS+ 0 0 -59.7 -47.2 -176.6 54.9 107.3 22.2 231 -2.9 239 -2.6 0 0.0 238 -1.0 10 55
236 A 268 ALA A H H < 3 TS+ 0 0 -58.6 -36.2 179.0 55.2 102.9 32.4 232 -2.7 0 0.0 0 0.0 0 0.0 14 49
237 A 269 ALA A H H < 3 TS+ 0 0 -65.6 -29.8 -177.5 39.2 115.7 37.9 233 -1.5 0 0.0 0 0.0 0 0.0 6 36
238 A 270 ILE I H H < < TS+ 0 0 -86.4 -47.3 -171.2 65.4 106.5 29.4 234 -1.0 0 0.0 235 -1.0 0 0.0 9 46
239 A 271 VAL V S h < TS- 0 0 -82.8 161.6 171.6 -127.5 76.3 110.4 235 -2.6 0 0.0 0 0.0 0 0.0 13 54
240 A 272 ASP D S S S- 0 0 -69.6 -39.6 172.3 -29.8 87.5 27.4 216 -3.0 0 0.0 0 0.0 0 0.0 9 53
241 A 273 TRP W E E Ah - 217 0 -167.4 168.9 177.9 -119.7 55.1 165.6 216 -0.8 218 -0.9 0 0.0 0 0.0 13 61
242 A 274 ILE I E E Ahi - 218 299 -116.2 125.4 171.5 -148.9 16.0 165.9 298 -2.8 300 -2.9 0 0.0 244 -0.8 13 70
243 A 275 ASN N E E Ahi - 219 300 -91.9 107.6 -178.9 -148.1 21.4 151.1 218 -3.1 220 -2.1 0 0.0 0 0.0 14 75
244 A 276 ILE I E E Ahi - 220 301 -82.8 131.4 -178.4 -133.7 9.9 131.1 300 -2.4 246 -2.0 242 -0.8 302 -1.9 14 76
245 A 277 A MET M e + 0 0 -83.8 71.9 179.5 171.3 33.6 118.6 220 -2.9 247 -2.0 0 0.0 0 0.0 12 66
246 A 278 THR T + 0 0 -82.1 61.7 179.5 65.2 53.6 113.0 244 -2.0 0 0.0 0 0.0 0 0.0 15 70
247 A 279 TYR Y + 0 0 -164.4 -178.0 -175.0 67.1 62.1 155.0 245 -2.0 0 0.0 0 0.0 0 0.0 11 64
248 A 280 ASP D + 0 0 58.7 33.0 179.0 140.6 58.0 35.3 0 0.0 0 0.0 0 0.0 0 0.0 8 62
249 A 281 PHE F S S S+ 0 0 -75.2 -26.0 -179.8 4.8 74.0 39.2 260 -2.4 0 0.0 0 0.0 0 0.0 10 65
250 A 282 ASN N S S S+ 0 0 -147.5 159.0 177.0 141.3 79.5 168.9 0 0.0 0 0.0 0 0.0 0 0.0 12 63
251 A 283 A GLY G t > T - 0 0 -179.7 -167.0 -171.3 -47.6 61.6 164.3 0 0.0 254 -1.9 0 0.0 0 0.0 15 58
252 A 284 A ALA A T T 3 TS+ 0 0 -65.2 -9.6 176.5 74.4 113.8 58.4 0 0.0 327 -0.8 0 0.0 0 0.0 13 48
253 A 285 A TRP W T T 3 TS+ 0 0 -77.6 -5.0 -177.7 57.8 94.6 63.1 0 0.0 0 0.0 0 0.0 0 0.0 7 41
254 A 286 A GLN Q S t < TS- 0 0 -125.4 157.7 -176.9 -135.2 76.3 150.5 251 -1.9 0 0.0 0 0.0 0 0.0 9 42
255 A 287 A LYS K S S S+ 0 0 -87.2 -26.3 -177.5 76.6 83.9 36.1 0 0.0 324 -2.6 0 0.0 257 -0.5 11 40
256 A 288 ILE I B B C S- 323 0 -87.7 120.5 -179.1 -127.2 84.1 135.3 0 0.0 0 0.0 0 0.0 0 0.0 9 48
257 A 289 SER S + 0 0 -66.3 147.2 -178.9 141.5 45.8 111.5 322 -2.5 0 0.0 255 -0.5 0 0.0 18 64
258 A 290 ALA A - 0 0 -167.4 -168.7 -167.7 -56.9 47.3 150.3 0 0.0 0 0.0 0 0.0 0 0.0 11 75
259 A 291 HIS H - 0 0 -101.9 140.3 177.3 -149.5 19.8 136.4 0 0.0 0 0.0 0 0.0 0 0.0 12 80
260 A 292 ASN N S S S+ 0 0 -64.0 -41.7 -174.9 3.3 99.3 26.4 0 0.0 249 -2.4 0 0.0 0 0.0 13 73
261 A 293 ALA A S S S+ 0 0 -147.3 61.1 176.4 179.6 73.9 110.7 0 0.0 0 0.0 0 0.0 0 0.0 16 75
262 A 294 PRO P - 0 0 -65.2 136.4 -175.6 -148.4 20.5 116.2 0 0.0 282 -2.8 0 0.0 0 0.0 12 68
263 A 295 LEU L S S S+ 0 0 -73.3 -46.3 -174.7 23.1 72.8 22.6 361 -2.5 283 -2.6 0 0.0 0 0.0 12 63
264 A 296 ASN N S S S- 0 0 -120.9 163.5 173.7 -84.8 92.5 139.1 361 -0.5 0 0.0 0 0.0 0 0.0 11 51
265 A 297 TYR Y - 0 0 -65.5 127.9 174.4 -160.5 36.3 123.6 0 0.0 0 0.0 0 0.0 0 0.0 14 45
266 A 298 ASP D h > > T - 0 0 -112.2 115.1 177.7 -150.7 11.3 162.1 0 0.0 269 -1.7 0 0.0 270 -0.9 9 40
267 A 299 PRO P H H > 3 TS+ 0 0 -53.6 -29.9 -179.8 66.8 94.7 36.8 0 0.0 271 -2.2 0 0.0 0 0.0 6 30
268 A 300 ALA A H H > 3 TS+ 0 0 -62.2 -32.9 179.0 58.1 94.2 33.7 0 0.0 272 -1.6 0 0.0 0 0.0 7 36
269 A 301 ALA A H H 4 <>TS+ 0 0 -63.8 -42.3 175.0 46.3 107.7 25.6 266 -1.7 274 -2.4 0 0.0 0 0.0 12 45
270 A 302 A SER S H H < >5TS+ 0 0 -64.4 -40.6 179.9 53.5 109.6 23.7 266 -0.9 273 -1.6 0 0.0 0 0.0 12 30
271 A 303 ALA A H H < 35TS+ 0 0 -64.3 -28.5 179.7 52.9 108.0 33.0 267 -2.2 0 0.0 0 0.0 0 0.0 7 22
272 A 304 ALA A T h < 35TS- 0 0 -80.8 -10.3 -175.5 -115.6 115.7 58.4 268 -1.6 0 0.0 0 0.0 0 0.0 8 32
273 A 305 GLY G T T <5T + 0 0 77.3 23.3 175.1 172.5 49.0 41.8 270 -1.6 0 0.0 0 0.0 0 0.0 7 28
274 A 306 VAL V t > > TS+ 0 0 57.5 31.2 -175.4 156.9 79.6 43.5 0 0.0 280 -2.5 0 0.0 279 -1.2 7 41
277 A 309 A ALA A T T 4 < T + 0 0 -56.5 -34.5 178.3 66.1 64.7 32.4 274 -1.6 0 0.0 0 0.0 0 0.0 12 44
278 A 310 A ASN N T T 4 3 TS+ 0 0 -50.0 -44.5 -172.5 15.4 121.2 24.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
279 A 311 THR T T T 4 < TS+ 0 0 -113.3 -13.1 -175.6 94.5 98.5 57.3 276 -1.2 281 -1.9 0 0.0 0 0.0 10 46
280 A 312 PHE F t < T + 0 0 -87.8 68.4 176.2 95.1 67.3 116.8 276 -2.5 0 0.0 0 0.0 0 0.0 13 52
281 A 313 ASN N S h > TS- 0 0 -149.1 161.6 -171.2 -107.6 83.5 162.7 279 -1.9 285 -2.3 0 0.0 0 0.0 16 59
282 A 314 VAL V H H > TS+ 0 0 -62.2 -47.7 -177.1 48.5 114.6 25.1 262 -2.8 286 -2.7 0 0.0 0 0.0 13 64
283 A 315 ALA A H H > TS+ 0 0 -64.1 -42.2 179.1 49.6 111.9 24.8 263 -2.6 287 -2.9 0 0.0 0 0.0 8 57
284 A 316 ALA A H H > TS+ 0 0 -62.4 -42.6 -179.6 48.4 112.5 22.9 0 0.0 288 -1.9 0 0.0 0 0.0 11 49
285 A 317 GLY G H H X TS+ 0 0 -62.5 -49.9 -179.7 42.6 115.4 17.5 281 -2.3 289 -1.3 0 0.0 0 0.0 15 57
286 A 318 ALA A H H X TS+ 0 0 -62.6 -43.7 -179.1 53.5 112.8 21.4 282 -2.7 290 -2.3 0 0.0 0 0.0 13 64
287 A 319 GLN Q H H X TS+ 0 0 -61.7 -34.7 177.9 59.8 101.8 32.0 283 -2.9 291 -3.1 0 0.0 0 0.0 8 52
288 A 320 GLY G H H X TS+ 0 0 -60.6 -38.3 175.2 46.7 106.8 28.6 284 -1.9 292 -1.3 0 0.0 0 0.0 11 47
289 A 321 HIS H H H X >TS+ 0 0 -68.5 -46.9 176.9 48.0 113.1 20.6 285 -1.3 294 -2.3 0 0.0 293 -0.6 12 55
290 A 322 LEU L H H < >5TS+ 0 0 -57.6 -43.1 -179.6 52.1 110.8 21.6 286 -2.3 293 -1.4 0 0.0 0 0.0 10 47
291 A 323 ASP D H H < 35TS+ 0 0 -63.0 -32.1 178.0 56.0 105.4 36.3 287 -3.1 0 0.0 0 0.0 0 0.0 7 33
292 A 324 ALA A H H < 35TS- 0 0 -74.1 -13.9 -177.7 -96.9 127.8 52.1 288 -1.3 0 0.0 0 0.0 0 0.0 9 35
293 A 325 GLY G T h < <5TS+ 0 0 106.0 11.2 172.9 149.7 70.6 56.6 290 -1.4 0 0.0 289 -0.6 0 0.0 9 30
294 A 326 VAL V t T - 0 0 -60.5 141.6 -178.8 -123.7 17.9 112.5 0 0.0 298 -1.6 0 0.0 0 0.0 8 36
296 A 328 ALA A G G > TS+ 0 0 -55.8 -38.7 -179.3 58.3 111.0 29.2 0 0.0 299 -2.0 0 0.0 396 -1.2 10 45
297 A 329 ALA A G G 3 TS+ 0 0 -65.3 -20.9 177.8 53.8 103.9 44.3 0 0.0 0 0.0 0 0.0 0 0.0 10 48
298 A 330 LYS K G e < TS+ 0 0 -97.2 14.3 176.3 87.7 92.0 77.0 295 -1.6 242 -2.8 0 0.0 300 -0.5 12 51
299 A 331 LEU L E E Ai < T - 242 0 -116.7 117.1 -179.2 -173.1 55.8 163.3 296 -2.0 396 -2.4 0 0.0 397 -0.7 16 64
300 A 332 VAL V E E Aij - 243 397 -113.9 124.8 -168.1 -128.7 24.1 160.1 242 -2.9 244 -2.4 298 -0.5 302 -0.6 15 68
301 A 333 LEU L E E Aij - 244 398 -85.5 119.0 177.0 -134.9 15.4 129.0 397 -2.6 399 -2.4 0 0.0 0 0.0 15 72
302 A 334 GLY G E E A j - 0 399 -72.0 140.3 -178.0 -172.2 21.9 117.4 244 -1.9 0 0.0 300 -0.6 0 0.0 13 76
303 A 335 VAL V E E A j - 0 400 -133.4 133.1 -179.4 -130.1 18.4 175.8 399 -2.1 401 -1.6 0 0.0 0 0.0 14 79
304 A 336 PRO P E E A j - 0 401 -91.5 131.5 174.7 -164.4 9.8 138.4 0 0.0 0 0.0 0 0.0 0 0.0 11 73
305 A 337 PHE F S e S+ 0 0 -100.0 39.1 179.8 55.9 76.9 98.6 401 -2.8 340 -2.2 0 0.0 0 0.0 14 66
306 A 338 TYR Y E E CK S- 339 0 -156.6 164.2 172.6 -138.9 71.7 161.1 0 0.0 0 0.0 0 0.0 0 0.0 12 70
307 A 339 GLY G E E CK - 338 0 -122.9 179.7 -177.3 -131.3 11.0 134.4 338 -2.7 338 -2.3 0 0.0 0 0.0 14 70
308 A 340 ARG R E E CKL - 337 376 -136.9 142.5 -175.9 -162.4 22.8 168.0 376 -2.1 376 -3.0 0 0.0 0 0.0 16 64
309 A 341 GLY G E E C L - 0 375 -132.5 167.5 -180.0 -150.1 12.8 147.8 336 -2.0 328 -2.5 0 0.0 0 0.0 16 69
310 A 342 TRP W E E CML - 327 374 -131.5 148.0 174.2 -135.5 15.8 163.3 374 -2.4 374 -2.1 0 0.0 0 0.0 19 56
311 A 343 ASP D E E CM S+ 326 0 -97.9 151.2 166.8 20.5 79.5 136.6 326 -2.4 325 -1.6 0 0.0 326 -1.3 13 47
312 A 344 GLY G S S S+ 0 0 67.4 40.7 178.0 165.5 73.6 30.0 0 0.0 0 0.0 0 0.0 0 0.0 10 42
313 A 345 CYS C - 0 0 -90.9 136.0 178.3 -112.8 37.3 138.9 372 -2.7 0 0.0 0 0.0 0 0.0 15 45
314 A 346 ALA A - 0 0 -61.7 159.0 -178.1 -116.4 23.0 101.0 0 0.0 0 0.0 0 0.0 0 0.0 10 34
315 A 347 GLN Q S g > TS+ 0 0 -69.7 -21.4 -176.5 111.0 82.2 46.7 0 0.0 318 -1.8 0 0.0 0 0.0 8 33
316 A 348 ALA A G G > TS+ 0 0 -58.7 140.6 -179.9 6.6 89.9 105.8 0 0.0 319 -1.7 0 0.0 0 0.0 7 30
317 A 349 GLY G G G > TS- 0 0 61.5 20.5 -174.4 -75.2 127.3 40.7 0 0.0 320 -1.9 0 0.0 0 0.0 7 39
318 A 350 ASN N G G < TS- 0 0 53.7 38.2 177.7 -54.9 92.2 30.2 315 -1.8 0 0.0 0 0.0 0 0.0 9 44
319 A 351 GLY G G G X TS+ 0 0 85.2 -9.5 -173.2 136.9 104.5 71.8 316 -1.7 322 -1.0 0 0.0 0 0.0 14 52
320 A 352 GLN Q T g < TS- 0 0 -82.0 129.3 178.3 -2.1 75.3 125.4 317 -1.9 0 0.0 0 0.0 0 0.0 10 66
321 A 353 TYR Y T T 3 TS+ 0 0 66.2 27.6 179.2 141.5 98.4 42.0 0 0.0 0 0.0 0 0.0 0 0.0 12 59
322 A 354 GLN Q t < T - 0 0 -98.4 152.0 177.4 -108.8 63.8 128.5 319 -1.0 257 -2.5 0 0.0 324 -1.1 12 46
323 A 355 A THR T B B C - 256 0 -83.6 100.3 -174.9 -171.2 49.2 138.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
324 A 356 CYS C - 0 0 -87.3 174.4 -177.0 -107.6 35.5 102.5 255 -2.6 0 0.0 322 -1.1 0 0.0 13 44
325 A 357 THR T S S S- 0 0 -77.2 -29.1 179.8 -63.9 80.4 36.6 311 -1.6 0 0.0 0 0.0 0 0.0 9 32
326 A 358 GLY G E E CM S- 311 0 170.7 -172.5 176.2 -34.0 74.8 167.6 311 -1.3 311 -2.4 0 0.0 0 0.0 11 36
327 A 359 GLY G E E CM S- 310 0 -65.3 158.0 -179.6 -78.4 79.7 105.9 252 -0.8 0 0.0 0 0.0 0 0.0 15 46
328 A 360 A SER S e - 0 0 -62.2 134.2 176.0 -153.1 29.5 110.2 309 -2.5 0 0.0 0 0.0 0 0.0 14 52
329 A 361 SER S S S S+ 0 0 -80.6 -11.2 177.1 67.7 81.0 51.2 0 0.0 0 0.0 0 0.0 0 0.0 8 31
330 A 362 A VAL V + 0 0 -105.4 155.5 176.9 147.5 58.6 131.5 0 0.0 336 -2.8 0 0.0 0 0.0 8 39
331 A 363 A GLY G - 0 0 -175.9 165.4 -175.0 -101.5 54.8 156.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
332 A 364 THR T S S S- 0 0 -65.3 -51.5 -177.9 -12.4 111.8 15.3 337 -2.0 0 0.0 0 0.0 0 0.0 9 41
333 A 365 TRP W S S S+ 0 0 -123.3 -21.5 178.2 23.8 141.7 59.0 0 0.0 0 0.0 0 0.0 0 0.0 7 36
334 A 366 GLU E S t > TS- 0 0 -148.4 146.6 -176.3 -89.1 95.1 168.2 0 0.0 337 -1.5 0 0.0 0 0.0 7 30
335 A 367 ALA A T T 3 TS+ 0 0 -59.4 136.6 170.6 24.3 106.7 106.2 0 0.0 0 0.0 0 0.0 0 0.0 10 31
336 A 368 GLY G T e 3 TS+ 0 0 102.6 -16.8 -176.6 80.3 104.5 78.5 330 -2.8 309 -2.0 0 0.0 0 0.0 14 47
337 A 369 A SER S E E CK < T - 308 0 -129.7 147.6 -173.2 -160.9 54.6 161.5 334 -1.5 332 -2.0 0 0.0 0 0.0 15 55
338 A 370 PHE F E E CK - 307 0 -133.2 118.8 175.9 -133.4 17.0 168.1 307 -2.3 307 -2.7 0 0.0 0 0.0 13 57
339 A 371 ASP D E E >CK > T - 306 0 -67.4 147.1 -175.6 -119.5 27.1 116.0 0 0.0 343 -2.2 0 0.0 342 -0.7 12 58
340 A 372 PHE F H H > 3 TS+ 0 0 -59.1 -41.0 -176.8 55.3 112.1 28.0 305 -2.2 344 -2.8 0 0.0 0 0.0 14 57
341 A 373 TYR Y H H > 3 TS+ 0 0 -63.0 -32.1 177.3 50.8 107.7 31.7 405 -2.4 345 -2.0 0 0.0 0 0.0 10 41
342 A 374 ASP D H H > < TS+ 0 0 -68.0 -43.6 173.9 50.1 109.5 24.3 339 -0.7 346 -2.7 0 0.0 0 0.0 11 47
343 A 375 LEU L H H X >TS+ 0 0 -57.2 -45.8 -179.6 52.0 109.7 21.5 339 -2.2 348 -2.7 0 0.0 347 -2.2 10 52
344 A 376 GLU E H H < 5TS+ 0 0 -58.2 -42.9 -174.4 36.9 117.8 21.9 340 -2.8 0 0.0 0 0.0 0 0.0 8 41
345 A 377 ALA A H H < 5TS+ 0 0 -79.0 -34.6 -163.6 14.2 134.4 32.1 341 -2.0 0 0.0 0 0.0 0 0.0 7 30
346 A 378 ASN N H H < 5TS+ 0 0 -128.3 -7.1 -174.3 27.7 126.1 59.0 342 -2.7 0 0.0 0 0.0 0 0.0 8 34
347 A 379 TYR Y T h < >5TS+ 0 0 -131.5 -38.1 -170.8 98.1 75.6 44.0 343 -2.2 350 -1.6 0 0.0 349 -0.8 12 44
348 A 380 ILE I T T 3CN >T - 363 0 -96.6 107.6 -172.9 -170.7 12.8 155.4 363 -2.8 362 -1.5 0 0.0 363 -1.3 9 42
359 A 391 ASP D T T 4 5TS+ 0 0 -81.7 -7.2 173.8 51.7 81.7 58.5 357 -0.8 0 0.0 0 0.0 0 0.0 6 33
360 A 392 THR T T T 4 5TS+ 0 0 -86.8 -53.2 177.6 32.0 120.2 29.9 0 0.0 0 0.0 0 0.0 0 0.0 7 34
361 A 393 ALA A T T 4 5TS- 0 0 -75.6 -17.2 178.9 -134.8 103.6 48.1 0 0.0 263 -2.5 0 0.0 264 -0.5 10 51
362 A 394 LYS K T T < 5T + 0 0 61.2 48.7 177.1 113.4 63.0 27.7 358 -1.5 0 0.0 0 0.0 0 0.0 12 45
363 A 395 VAL V E E CN CN T - 353 0 -102.1 108.3 -175.8 -166.8 6.8 158.0 373 -2.4 372 -2.1 0 0.0 0 0.0 11 41
369 A 401 ALA A T e 4 TS+ 0 0 -67.9 -28.4 -177.9 54.3 84.1 39.4 367 -0.7 0 0.0 352 -0.6 0 0.0 10 34
370 A 402 A SER S T T 4 TS+ 0 0 -73.2 -41.2 -175.3 22.3 124.0 24.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
371 A 403 ASN N T T 4 TS- 0 0 -108.5 -3.9 173.9 -126.0 98.4 61.6 0 0.0 0 0.0 0 0.0 0 0.0 6 32
372 A 404 A LYS K t < T + 0 0 74.5 11.4 177.2 147.4 54.9 58.7 368 -2.1 313 -2.7 0 0.0 0 0.0 13 42
373 A 405 ARG R e - 0 0 -81.0 138.3 173.9 -163.3 28.9 127.7 0 0.0 368 -2.4 0 0.0 0 0.0 15 60
374 A 406 PHE F E E CLO - 310 367 -116.5 134.7 178.0 -168.7 4.0 163.6 310 -2.1 310 -2.4 0 0.0 0 0.0 15 69
375 A 407 ILE I E E CLO - 309 366 -129.3 121.9 168.7 -159.3 9.0 168.5 366 -2.4 366 -2.6 0 0.0 0 0.0 11 81
376 A 408 SER S E E CLO + 308 365 -87.9 136.2 178.1 148.2 32.7 144.2 308 -3.0 308 -2.1 0 0.0 0 0.0 14 79
377 A 409 TYR Y e - 0 0 -154.0 178.3 173.1 -112.3 42.9 157.5 364 -1.4 0 0.0 0 0.0 0 0.0 14 78
378 A 410 ASP D + 0 0 -120.9 140.4 -178.7 176.5 31.9 166.7 0 0.0 0 0.0 0 0.0 0 0.0 15 70
379 A 411 ASP D h > T - 0 0 -128.4 -173.0 -178.7 -78.5 50.8 126.0 0 0.0 383 -2.7 0 0.0 0 0.0 10 62
380 A 412 ALA A H H > TS+ 0 0 -59.8 -40.5 -178.3 51.3 128.4 21.9 0 0.0 384 -2.2 0 0.0 0 0.0 9 48
381 A 413 GLU E H H > TS+ 0 0 -62.5 -48.7 -179.2 42.9 113.0 20.2 0 0.0 385 -1.3 0 0.0 0 0.0 8 42
382 A 414 SER S H H > TS+ 0 0 -68.3 -36.6 172.7 55.0 111.3 27.0 0 0.0 386 -1.8 0 0.0 0 0.0 11 56
383 A 415 VAL V H H X TS+ 0 0 -59.3 -37.8 175.9 58.4 103.5 25.9 379 -2.7 387 -2.8 0 0.0 0 0.0 13 60
384 A 416 GLY G H H X TS+ 0 0 -60.6 -36.2 173.7 48.3 104.8 34.3 380 -2.2 388 -1.8 0 0.0 0 0.0 11 45
385 A 417 TYR Y H H X TS+ 0 0 -68.9 -36.6 177.9 52.1 110.6 30.6 381 -1.3 389 -2.0 0 0.0 0 0.0 10 48
386 A 418 LYS K H H X TS+ 0 0 -66.8 -39.8 174.3 45.5 111.5 24.7 382 -1.8 390 -2.4 0 0.0 0 0.0 10 64
387 A 419 THR T H H X TS+ 0 0 -69.6 -34.2 176.6 55.2 109.8 29.0 383 -2.8 391 -2.7 0 0.0 0 0.0 12 55
388 A 420 ALA A H H X TS+ 0 0 -62.1 -38.7 177.2 48.1 109.1 25.7 384 -1.8 392 -2.5 0 0.0 0 0.0 9 38
389 A 421 TYR Y H H X TS+ 0 0 -65.5 -47.5 175.2 52.7 109.4 20.5 385 -2.0 393 -2.4 0 0.0 0 0.0 8 50
390 A 422 ILE I H H X >TS+ 0 0 -50.6 -48.7 -175.3 42.9 114.0 21.5 386 -2.4 395 -2.3 0 0.0 394 -0.9 13 55
391 A 423 LYS K H H < 5TS+ 0 0 -70.9 -38.7 -179.1 50.9 113.3 27.3 387 -2.7 0 0.0 0 0.0 0 0.0 9 41
392 A 424 A SER S H H < 5TS+ 0 0 -66.1 -36.8 -179.1 39.6 117.3 31.6 388 -2.5 0 0.0 0 0.0 0 0.0 7 30
393 A 425 A LYS K H H < 5TS- 0 0 -89.5 -8.5 -177.4 -122.4 108.3 59.4 389 -2.4 0 0.0 0 0.0 0 0.0 7 38
394 A 426 GLY G T h < 5T + 0 0 69.1 32.6 178.6 173.6 48.2 33.4 390 -0.9 0 0.0 0 0.0 0 0.0 8 36
395 A 427 LEU L t > T - 0 0 -151.1 168.6 -172.4 -162.0 33.9 44.0 0 0.0 405 -1.2 0 0.0 406 -0.5 12 70
403 A 435 LEU L G G 4 > TS+ 0 0 -54.7 -41.4 -176.2 55.6 99.0 33.4 17 -2.9 406 -1.2 0 0.0 0 0.0 12 60
404 A 436 SER S G G 4 3 TS+ 0 0 -69.8 -20.6 179.1 60.2 100.4 41.0 0 0.0 0 0.0 0 0.0 0 0.0 9 55
405 A 437 GLY G G G 4 < TS+ 0 0 -79.8 -12.7 -178.5 54.9 100.9 50.2 402 -1.2 341 -2.4 0 0.0 0 0.0 12 55
406 A 438 A ASP D g < X T + 0 0 -117.2 62.1 -170.2 154.7 66.2 120.3 403 -1.2 409 -1.8 402 -0.5 0 0.0 14 56
407 A 439 A ARG R T T 3 TS+ 0 0 -70.1 -21.8 178.7 50.4 72.6 49.4 0 0.0 0 0.0 0 0.0 0 0.0 8 46
408 A 440 A ASN N T T 3 TS- 0 0 -93.1 -2.7 -178.7 -126.2 107.1 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 32
409 A 441 A LYS K h > < T + 0 0 67.0 16.9 -178.5 136.6 67.1 53.6 406 -1.8 413 -2.7 0 0.0 0 0.0 7 43
410 A 442 THR T H H > TS+ 0 0 -60.5 -49.4 -177.8 35.8 74.0 20.6 0 0.0 414 -1.4 0 0.0 0 0.0 9 44
411 A 443 LEU L H H > TS+ 0 0 -76.5 -36.5 171.6 54.0 116.1 27.5 0 0.0 415 -2.4 0 0.0 0 0.0 11 54
412 A 444 GLN Q H H > TS+ 0 0 -56.9 -42.4 -179.8 52.3 107.6 27.2 0 0.0 416 -2.5 0 0.0 0 0.0 10 56
413 A 445 ASN N H H X TS+ 0 0 -64.6 -35.7 178.3 52.0 107.7 29.0 409 -2.7 417 -2.5 0 0.0 0 0.0 9 43
414 A 446 A LYS K H H X TS+ 0 0 -66.4 -46.3 176.3 47.4 109.8 22.0 410 -1.4 418 -2.1 0 0.0 0 0.0 11 44
415 A 447 LEU L H H X TS+ 0 0 -57.5 -44.7 -179.8 49.5 113.6 20.7 411 -2.4 419 -2.4 0 0.0 0 0.0 13 56
416 A 448 A LYS K H H < TS+ 0 0 -58.6 -45.9 -175.6 48.0 111.4 21.4 412 -2.5 0 0.0 0 0.0 0 0.0 9 44
417 A 449 ALA A H H < TS+ 0 0 -66.1 -35.6 -172.9 38.9 119.0 31.8 413 -2.5 0 0.0 0 0.0 0 0.0 6 33
418 A 450 ASP D H H < T 0 0 -89.8 -27.0 -173.3 999.9 999.9 42.2 414 -2.1 0 0.0 0 0.0 0 0.0 8 41
419 A 451 LEU L h < T 0 0 -113.7 999.9 999.9 999.9 999.9 85.8 415 -2.4 0 0.0 0 0.0 0 0.0 10 47
1itxA.pdb
1ITX HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGGG EEEEEEEGGGGTTT GGG GGG SEEEEEEEEE BTTEEEE TTSS EEEE B TTS B TT EEESSHHHHHTS TT Kabs/Sand
chirality ----+-++++--------++++-+-+--+++--+++-+----++---+--+-+--+-++-+++-------+-+---+--++----+-+++-++---++- chirality
bends SSSS SSSSSSS SSS SSS S SSS S SSSS SSS SS SSSSSSSSS SS bends
turns TTTTTT TTTTTTTTT TTTTTTTTTT TTTT TTTT TTTT TTTT TTTTTTTT TTTT turns
5-turns >5555< >>555<< 5-turns
3-turns >>><<< >>><>3<<>>3<< >33< >33< >33< >33< >33< 3-turns
bridge-2 bbbbb ccccc*c A bridge-2
bridge-1 aaaa bbbbb DDD A EEEE EEEE B B DDD bridge-1
sheets AAAAAAA AAAAAAAAA BBBB BBBB AAA sheets
4-turns >>>4<<< 4-turns
summary gGGGGgEEEEEEEeGGGgTTt gGGGggGGGgeEEEEEEEEEeBTeEEEE tTTtS EEEEeBtTTt B tTTeEEEehHHHHHht tTTt summary
sequence LQPATAEAADSYKIVGYYPSWAAYGRNYNVADIDPTKVTHINYAFADICWNGIHGNPDPSGPNPVTWTCQNEKSQTINVPNGTIVLGDPWIDTGKTFAGD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSSS HHHHHHHHHHHHSTT EEEEEEE SSS TTHHHHHTSHHHHHHHHHHHHHHHHHHT SEEEEE S SSS S TTS TTHHHHHHHHHHHHH Kabs/Sand
chirality -++-+++-+++++++++++-++-------+-++++++++++++-+++++++++++++++++-+------+----+++--++-++-+++++++++++++++ chirality
bends SSSS SSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSSSSSSSSS S S SSS S SSS SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 fffff gggg bridge-2
bridge-1 cccccc fffff bridge-1
sheets AAAAAAA AAAAA sheets
4-turns >>>>XXXXXX<<<< >>>4<<<>>>>XXXXXXXXXXXX<<<< >>>>XXXXXXXXXX 4-turns
summary SSSS hHHHHHHHHHHHHhTTtEEEEEEEeSSStThHHHHHhhHHHHHHHHHHHHHHHHHHhteEEEEE S SSS StTTt tThHHHHHHHHHHHHH summary
sequence TWDQPIAGNINQLNKLKQTNPNLKTIISVGGWTWSNRFSDVAATAATREVFANSAVDFLRKYNFDGVDLDWEYPVSGGLDGNSKRPEDKQNYTLLLSKIR sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHTS EEEEEE SHHHHHTS HHHHHHHSSEEEE SS TTSSB SS SS HHHHHTT TTTTT SHHHHHHHHHHHT GGGEE Kabs/Sand
chirality +++++++++-+----+-----+-++++++-++++++++------++++++-++-+-+--++-+---+++++-+--+++++-++++++++++-+--+++-- chirality
bends SSSSSSSSSSSS SSSSSSSS SSSSSSSSS SS SSSSS SS SS SSSSSS SS SS SSSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33<>33<>3><3< >33< >>3<< 3-turns
bridge-2 hhhh iii j bridge-2
bridge-1 gggg hhhh C ii bridge-1
sheets AAAAAA AAAA AA sheets
4-turns XXXXXXX<<<< >>>4<<< >>>>X<<<< >>>4<<< >444<>>>>XXXXX<<<< 4-turns
summary HHHHHHHHHHht EEEEEE hHHHHHhthHHHHHHHhSEEEEe SStTTtSB SS SS hHHHHHhTtTTTTTthHHHHHHHHHHHhtgGGeEE summary
sequence EKLDAAGAVDGKKYLLTIASGASATYAANTELAKIAAIVDWINIMTYDFNGAWQKISAHNAPLNYDPAASAAGVPDANTFNVAAGAQGHLDAGVPAAKLV sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEESEEEEEES SGGGGTT B SEE S SSSTTEEEHHHHHHHTTT TTEEEEEETTTTEEEEEETTT EEE HHHHHHHHHHHHHHT EEEE Kabs/Sand
chirality ----+-----++--++--+-+-------++--+-++---++++++++-++-+------++-+------++-+---+-+-+++++++++++++-+------ chirality
bends SS SS SSSSSSS SSS S SSSSS SSSSSSSSSS SS SSS SSS SSSSSSSSSSSSSS bends
turns TTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTTT TTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>>33< >33< >33X33< 3-turns
bridge-2 jjjj LLL OOO OOO jjjj bridge-2
bridge-1 i KKK MM C MM KKK NNNNNN NNNNNN LLL aaaa bridge-1
sheets AAAA CCCCCC CC CCC CCCCCC CCCCCC CCC AAAA sheets
4-turns >>>>X<<<< >444< >444< >>>>XXXXXXXX<<<< 4-turns
summary EEEEeEEEEEES gGGGGgTtB SEEeS SStTeEEEHHHHHHHhTTtTeEEEEEETTTTEEEEEEeTTteEEEe hHHHHHHHHHHHHHHhteEEEE summary
sequence LGVPFYGRGWDGCAQAGNGQYQTCTGGSSVGTWEAGSFDFYDLEANYINKNGYTRYWNDTAKVPYLYNASNKRFISYDDAESVGYKTAYIKSKGLGGAMF sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand E GGG TT HHHHHHHHH Kabs/Sand
chirality +-+++++-+++++++++ chirality
bends S SSS SS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3444< >>>>XXX<<<< 4-turns
summary EgGGGgTThHHHHHHHHHh summary
sequence WELSGDRNKTLQNKLKADL sequence
410