Secondary structure calculation program - copyright by David Keith Smith, 1989
1han-.pdb
1HAN OXIDOREDUCTASE (OXYGENASE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 288
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 SER S e 0 0 999.9 134.0 -179.5 999.9 999.9 999.9 0 0.0 67 -0.5 0 0.0 0 0.0 10 40
2 3 ILE I E E AA - 66 0 -67.2 130.7 -179.8 -175.0 999.9 116.4 0 0.0 0 0.0 0 0.0 0 0.0 12 56
3 4 ARG R E E A* - 0 0 -97.0 -31.7 -179.4 -36.6 57.5 40.7 65 -3.5 0 0.0 0 0.0 0 0.0 12 50
4 5 SER S E E AA - 65 0 -176.3 172.6 174.1 -75.2 65.2 169.4 65 -1.1 65 -2.9 0 0.0 6 -0.6 14 56
5 6 LEU L E E AA + 64 0 -83.5 122.4 -177.7 178.5 47.6 142.3 0 0.0 143 -2.9 0 0.0 0 0.0 13 64
6 7 GLY G E E A* - 0 0 -98.1 -42.2 179.9 -6.5 51.0 32.9 63 -2.8 0 0.0 4 -0.6 0 0.0 11 66
7 8 TYR Y E E AA - 63 0 -152.2 164.9 179.2 -153.8 50.5 165.7 63 -1.4 63 -2.7 0 0.0 0 0.0 12 67
8 9 MET M E E AAb - 62 49 -141.5 148.4 177.7 -155.5 6.1 172.6 48 -2.1 50 -2.1 0 0.0 0 0.0 12 65
9 10 GLY G E E AAb - 61 50 -128.0 136.9 178.9 -161.0 6.7 169.2 61 -2.7 60 -3.0 0 0.0 61 -1.5 12 64
10 11 PHE F E E AAb - 59 51 -116.3 143.0 178.9 -151.8 9.2 156.5 50 -2.7 52 -3.0 0 0.0 12 -0.6 13 58
11 12 ALA A E E AAb + 58 52 -114.9 109.4 -175.2 175.1 32.6 164.7 58 -2.4 58 -1.5 0 0.0 57 -1.1 14 41
12 13 VAL V E E A b - 0 53 -123.8 157.6 -179.6 -138.4 43.0 147.5 52 -3.0 54 -2.4 10 -0.6 0 0.0 14 40
13 14 SER S S S S+ 0 0 -80.6 -26.6 -179.8 42.7 100.6 37.5 0 0.0 15 -0.5 0 0.0 0 0.0 10 30
14 15 ASP D h > T + 0 0 -125.8 91.2 -178.9 171.5 60.0 143.2 0 0.0 18 -1.7 0 0.0 0 0.0 9 30
15 16 VAL V H H > TS+ 0 0 -66.5 -34.0 -179.5 54.8 79.7 32.4 13 -0.5 19 -2.4 0 0.0 0 0.0 10 39
16 17 ALA A H H > TS+ 0 0 -68.4 -40.6 179.6 50.6 106.6 25.0 0 0.0 20 -2.3 0 0.0 0 0.0 6 31
17 18 ALA A H H > TS+ 0 0 -62.6 -41.3 179.2 49.0 111.9 24.6 0 0.0 21 -2.4 0 0.0 0 0.0 8 36
18 19 TRP W H H X TS+ 0 0 -64.6 -42.2 -179.7 52.7 108.6 24.2 14 -1.7 22 -2.7 0 0.0 0 0.0 11 54
19 20 ARG R H H X TS+ 0 0 -59.0 -49.6 -179.9 43.5 113.2 19.8 15 -2.4 23 -2.1 0 0.0 0 0.0 10 44
20 21 SER S H H X >TS+ 0 0 -62.9 -42.1 179.7 50.2 114.4 28.1 16 -2.3 24 -1.9 0 0.0 25 -0.8 9 40
21 22 PHE F H H X >TS+ 0 0 -63.3 -50.3 -179.1 45.7 112.6 20.8 17 -2.4 26 -1.9 0 0.0 25 -1.1 11 54
22 23 LEU L H H < 5TS+ 0 0 -63.1 -43.4 -178.4 31.9 123.7 24.5 18 -2.7 28 -2.8 0 0.0 0 0.0 10 63
23 24 THR T H H X 5TS+ 0 0 -82.3 -51.7 -177.5 33.5 127.3 15.6 19 -2.1 27 -0.6 0 0.0 0 0.0 14 48
24 25 GLN Q H H < 5TS+ 0 0 -77.6 -33.2 179.8 29.4 130.2 35.6 20 -1.9 0 0.0 0 0.0 0 0.0 10 40
25 26 LYS K T h < T - 37 0 -134.9 -169.6 177.7 -79.0 63.5 131.3 37 -2.5 37 -1.7 0 0.0 0 0.0 8 28
35 36 ASP D T T 3 TS+ 0 0 -73.3 -5.7 176.7 64.1 130.8 58.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
36 37 ASN N T T 3 TS- 0 0 -89.8 -8.5 179.7 -115.8 117.2 60.6 0 0.0 0 0.0 0 0.0 0 0.0 10 42
37 38 GLY G E E AC < T - 34 0 107.7 -167.7 176.9 -18.0 59.1 132.1 34 -1.7 34 -2.5 0 0.0 0 0.0 10 40
38 39 ASP D E E ACD S- 33 51 -74.8 126.9 -177.6 -146.3 74.4 135.1 51 -2.6 51 -2.5 0 0.0 0 0.0 13 44
39 40 LEU L E E A*D - 0 50 -104.9 142.7 -178.7 -168.9 16.0 142.7 32 -3.1 31 -3.4 0 0.0 0 0.0 15 52
40 41 PHE F E E ACD - 30 49 -132.1 141.6 -179.0 -157.6 4.2 169.3 49 -2.4 48 -2.7 0 0.0 49 -1.7 13 57
41 42 ARG R E E AC + 29 0 -117.7 155.9 176.2 171.3 23.8 143.5 29 -2.7 29 -2.5 0 0.0 0 0.0 15 62
42 43 ILE I S S S- 0 0 -136.7 -3.5 -179.8 -0.5 78.1 74.5 0 0.0 0 0.0 0 0.0 0 0.0 13 58
43 44 ASP D S S S- 0 0 -159.3 -153.1 -178.0 -47.2 106.0 137.4 0 0.0 0 0.0 0 0.0 0 0.0 7 48
44 45 SER S S S S+ 0 0 -71.5 -20.8 179.8 103.0 96.3 46.6 0 0.0 122 -2.9 0 0.0 0 0.0 10 38
45 46 ARG R B B A S- 121 0 -64.3 147.3 179.5 -117.3 84.6 109.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50
46 47 ALA A S S S- 0 0 -54.1 -32.2 177.3 -16.1 92.0 39.2 120 -2.7 0 0.0 0 0.0 0 0.0 11 49
47 48 TRP W - 0 0 -168.2 154.8 177.6 -177.5 46.3 160.6 0 0.0 0 0.0 0 0.0 0 0.0 11 62
48 49 ARG R S e S+ 0 0 -127.2 -31.5 179.6 40.5 79.9 59.7 40 -2.7 8 -2.1 0 0.0 0 0.0 13 70
49 50 ILE I E E AbD - 8 40 -126.9 131.9 177.5 -167.3 63.3 170.9 40 -1.7 40 -2.4 0 0.0 0 0.0 11 68
50 51 ALA A E E AbD - 9 39 -117.0 137.1 179.4 -159.2 5.3 162.7 8 -2.1 10 -2.7 0 0.0 52 -0.5 14 58
51 52 VAL V E E AbD + 10 38 -119.7 120.6 -178.9 176.8 15.6 168.5 38 -2.5 38 -2.6 0 0.0 0 0.0 13 52
52 53 GLN Q E E Ab - 11 0 -121.4 154.5 179.0 -101.5 37.4 151.1 10 -3.0 12 -3.0 50 -0.5 0 0.0 12 44
53 54 GLN Q E E Ab + 12 0 -74.5 134.3 -179.6 140.4 61.8 125.5 0 0.0 0 0.0 0 0.0 0 0.0 10 32
54 55 GLY G e - 0 0 -168.9 163.0 -178.1 -121.3 56.8 164.6 12 -2.4 0 0.0 0 0.0 0 0.0 8 27
55 56 GLU E S S S+ 0 0 -86.8 -24.1 -177.7 70.7 96.3 44.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25
56 57 VAL V S S S- 0 0 -66.9 -27.4 -178.1 -151.5 78.3 36.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
57 58 ASP D + 0 0 52.4 59.3 -175.9 89.1 63.1 14.7 11 -1.1 0 0.0 0 0.0 0 0.0 11 40
58 59 ASP D E E AA S- 11 0 -164.7 -179.7 176.9 -48.2 91.5 157.9 11 -1.5 11 -2.4 0 0.0 0 0.0 12 47
59 60 LEU L E E AA - 10 0 -66.0 125.1 -179.6 -173.9 45.9 120.2 0 0.0 0 0.0 0 0.0 0 0.0 11 59
60 61 ALA A E E A* - 0 0 -93.3 -35.3 178.7 -17.0 61.3 38.4 9 -3.0 0 0.0 0 0.0 0 0.0 11 49
61 62 PHE F E E AA - 9 0 -165.3 159.1 178.7 -149.7 52.7 164.6 9 -1.5 9 -2.7 0 0.0 0 0.0 11 56
62 63 ALA A E E AAe - 8 113 -136.2 141.7 -179.3 -145.8 13.1 172.0 112 -1.1 114 -2.1 0 0.0 0 0.0 13 61
63 64 GLY G E E AAe - 7 114 -116.6 128.3 179.0 -157.2 6.0 161.3 7 -2.7 6 -2.8 0 0.0 7 -1.4 12 67
64 65 TYR Y E E AAe - 5 115 -101.9 138.4 -176.5 -134.4 17.6 149.8 114 -3.3 116 -2.5 0 0.0 0 0.0 14 71
65 66 GLU E E E AAe - 4 116 -100.7 133.6 175.4 -170.9 17.4 138.1 4 -2.9 3 -3.5 0 0.0 4 -1.1 12 60
66 67 VAL V E E AA - 2 0 -111.6 163.1 -177.0 -115.2 33.3 140.3 116 -2.6 0 0.0 0 0.0 0 0.0 14 47
67 68 ALA A S e S- 0 0 -69.2 -33.5 -175.9 -25.2 79.8 33.4 1 -0.5 0 0.0 0 0.0 0 0.0 11 35
68 69 ASP D S h > TS- 0 0 -163.1 -172.7 -178.9 -67.9 78.0 156.1 0 0.0 72 -1.9 0 0.0 0 0.0 8 28
69 70 ALA A H H > TS+ 0 0 -63.1 -34.5 179.0 54.8 125.4 34.9 0 0.0 73 -2.3 0 0.0 0 0.0 9 29
70 71 ALA A H H > TS+ 0 0 -65.7 -43.7 178.9 50.6 107.4 20.3 0 0.0 74 -2.6 0 0.0 0 0.0 6 24
71 72 GLY G H H > TS+ 0 0 -60.1 -39.8 179.8 50.9 109.4 28.2 0 0.0 75 -2.1 0 0.0 0 0.0 11 34
72 73 LEU L H H X TS+ 0 0 -63.9 -45.1 179.1 50.1 109.7 20.9 68 -1.9 76 -2.5 0 0.0 0 0.0 17 44
73 74 ALA A H H X TS+ 0 0 -58.6 -46.0 178.7 52.6 108.9 24.2 69 -2.3 77 -2.3 0 0.0 0 0.0 8 35
74 75 GLN Q H H X TS+ 0 0 -54.4 -54.6 -178.6 45.1 111.6 21.6 70 -2.6 78 -2.7 0 0.0 0 0.0 9 35
75 76 MET M H H X TS+ 0 0 -59.9 -43.2 179.6 52.5 110.6 26.9 71 -2.1 79 -2.6 0 0.0 0 0.0 10 51
76 77 ALA A H H X TS+ 0 0 -59.0 -42.4 -179.4 46.8 112.8 21.3 72 -2.5 80 -2.2 0 0.0 0 0.0 10 45
77 78 ASP D H H X TS+ 0 0 -65.3 -44.2 179.8 51.8 110.2 22.2 73 -2.3 81 -2.9 0 0.0 0 0.0 8 32
78 79 LYS K H H X TS+ 0 0 -60.6 -40.8 -179.6 47.4 111.4 25.8 74 -2.7 82 -0.7 0 0.0 0 0.0 9 35
79 80 LEU L H H < >>TS+ 0 0 -68.9 -41.0 179.3 49.9 112.0 25.8 75 -2.6 84 -2.6 0 0.0 82 -0.5 13 40
80 81 LYS K H H < >5TS+ 0 0 -63.5 -46.5 179.8 53.4 107.0 19.5 76 -2.2 83 -2.3 0 0.0 0 0.0 10 26
81 82 GLN Q H H < 35TS+ 0 0 -63.3 -15.5 179.5 53.6 108.0 44.5 77 -2.9 0 0.0 0 0.0 0 0.0 7 20
82 83 ALA A T h < <5TS- 0 0 -96.4 -2.0 -179.9 -110.1 120.4 65.9 78 -0.7 0 0.0 79 -0.5 0 0.0 7 26
83 84 GLY G T T <5T + 0 0 81.3 21.7 179.8 148.9 66.6 44.2 80 -2.3 0 0.0 0 0.0 0 0.0 6 22
84 85 ILE I t > T - 0 0 -80.9 163.3 -179.5 -101.1 25.7 114.4 0 0.0 94 -2.7 0 0.0 93 -0.7 6 23
91 92 ALA A H H > 3 TS+ 0 0 -49.6 -38.4 -179.6 57.2 123.2 32.9 0 0.0 95 -2.5 0 0.0 0 0.0 7 23
92 93 SER S H H > 3 TS+ 0 0 -61.9 -44.8 179.9 42.9 109.7 24.9 0 0.0 96 -2.1 0 0.0 0 0.0 7 21
93 94 LEU L H H > < TS+ 0 0 -67.6 -44.5 179.2 52.8 112.9 22.0 90 -0.7 97 -2.2 0 0.0 0 0.0 8 35
94 95 ALA A H H X >TS+ 0 0 -57.3 -40.0 179.7 47.8 111.4 25.9 90 -2.7 99 -2.4 0 0.0 98 -1.1 13 36
95 96 ARG R H H < 5TS+ 0 0 -69.0 -41.3 179.6 53.0 108.5 26.7 91 -2.5 0 0.0 0 0.0 0 0.0 9 29
96 97 ARG R H H < 5TS+ 0 0 -61.9 -37.3 -179.6 41.3 115.3 28.8 92 -2.1 0 0.0 0 0.0 0 0.0 10 41
97 98 ARG R H H < 5TS- 0 0 -83.9 -16.1 -178.7 -125.6 108.4 51.2 93 -2.2 0 0.0 0 0.0 0 0.0 8 55
98 99 GLY G T h < 5T + 0 0 74.7 30.8 -179.8 129.5 66.2 34.5 94 -1.1 120 -0.6 0 0.0 0 0.0 9 48
99 100 VAL V t T - 0 0 -79.3 168.8 -178.7 -86.8 52.1 113.6 111 -2.2 110 -2.4 0 0.0 0 0.0 10 54
108 109 PRO P T T 3 TS+ 0 0 -50.7 -17.1 -178.2 46.1 128.4 49.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
109 110 PHE F T T 3 TS- 0 0 -117.9 23.0 176.1 -89.0 125.5 85.9 0 0.0 0 0.0 0 0.0 0 0.0 6 37
110 111 GLY G S t < TS+ 0 0 90.8 6.6 178.2 142.9 72.0 56.2 107 -2.4 0 0.0 0 0.0 0 0.0 6 31
111 112 LEU L e - 0 0 -83.7 122.0 179.4 -125.8 52.0 138.5 0 0.0 107 -2.2 0 0.0 0 0.0 10 43
112 113 PRO P E E A G - 0 106 -67.1 128.5 179.6 -173.7 34.0 122.1 0 0.0 62 -1.1 0 0.0 0 0.0 11 42
113 114 LEU L E E AeG - 62 105 -124.8 152.8 179.2 -163.9 10.9 156.2 105 -3.2 105 -2.1 0 0.0 0 0.0 12 56
114 115 GLU E E E AeG - 63 104 -137.5 140.1 177.1 -160.7 6.2 168.6 62 -2.1 64 -3.3 0 0.0 0 0.0 12 62
115 116 ILE I E E AeG + 64 103 -120.0 128.2 -176.5 160.0 29.4 176.8 103 -2.1 103 -2.2 0 0.0 0 0.0 13 64
116 117 TYR Y E E AeG - 65 102 -142.4 172.3 174.2 -153.8 27.1 153.8 64 -2.5 66 -2.6 0 0.0 0 0.0 15 58
117 118 TYR Y E E A G + 0 101 -144.7 159.8 177.5 40.0 67.1 161.4 101 -1.9 100 -1.7 0 0.0 101 -1.5 14 51
118 119 GLY G - 0 0 68.8 52.0 178.4 -177.6 65.5 21.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
119 120 ALA A - 0 0 -72.8 167.8 -178.1 -92.9 32.3 105.1 0 0.0 0 0.0 0 0.0 0 0.0 11 51
120 121 SER S - 0 0 -92.4 134.3 177.6 -157.8 31.3 134.1 98 -0.6 46 -2.7 0 0.0 0 0.0 8 41
121 122 GLU E B B A - 45 0 -103.1 151.2 177.6 -167.6 5.4 141.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
122 123 VAL V t > T + 0 0 -138.0 59.3 178.7 150.0 27.5 115.7 44 -2.9 125 -1.9 0 0.0 0 0.0 9 26
123 124 PHE F T T 3 TS+ 0 0 -60.8 -26.3 179.8 66.7 72.4 38.8 0 0.0 0 0.0 0 0.0 0 0.0 7 19
124 125 GLU E T T 3 TS+ 0 0 -73.2 -10.2 177.2 53.9 98.4 55.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
125 126 LYS K S t < TS- 0 0 -122.7 79.8 -178.9 -145.7 94.4 138.7 122 -1.9 0 0.0 0 0.0 0 0.0 5 22
126 127 PRO P - 0 0 -51.8 133.7 179.9 -100.2 23.4 96.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
127 128 PHE F + 0 0 -57.8 127.9 177.6 179.2 41.1 111.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
128 129 LEU L - 0 0 -133.0 111.5 -179.3 -131.2 24.7 162.0 0 0.0 0 0.0 0 0.0 0 0.0 5 33
129 130 PRO P - 0 0 -65.1 153.7 -179.9 -130.3 9.0 103.7 0 0.0 0 0.0 0 0.0 0 0.0 11 44
130 131 GLY G S S S+ 0 0 -77.9 -9.9 178.9 19.6 94.4 57.4 27 -0.7 0 0.0 28 -0.6 0 0.0 11 35
131 132 ALA A S S S- 0 0 -149.2 167.2 -179.0 -66.4 111.0 157.0 27 -0.5 133 -1.0 0 0.0 0 0.0 10 37
132 133 ALA A S S S+ 0 0 -67.0 99.1 178.8 146.0 70.1 119.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
133 134 VAL V - 0 0 -135.7 125.1 -179.1 -148.6 43.7 172.1 131 -1.0 0 0.0 0 0.0 0 0.0 9 40
134 135 SER S - 0 0 -65.5 -28.3 179.0 -55.1 69.5 40.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
135 136 GLY G - 0 0 161.7 160.7 178.3 -108.2 44.0 145.9 0 0.0 215 -2.5 0 0.0 0 0.0 8 42
136 137 PHE F B B B - 214 0 -110.4 147.2 179.6 -124.5 30.5 151.3 0 0.0 138 -0.8 0 0.0 0 0.0 11 55
137 138 LEU L + 0 0 -95.0 110.7 178.4 121.4 58.1 144.7 213 -3.0 0 0.0 0 0.0 0 0.0 10 52
138 139 THR T g > T + 0 0 -128.5 -99.4 178.6 110.8 20.8 73.9 136 -0.8 141 -2.1 0 0.0 0 0.0 10 52
139 140 GLY G G G > TS- 0 0 57.0 -136.0 -178.8 -5.9 102.3 105.7 0 0.0 142 -1.9 0 0.0 0 0.0 5 41
140 141 GLU E G G 3 TS+ 0 0 -67.1 -12.9 178.9 64.3 133.5 50.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
141 142 GLN Q G G < TS- 0 0 -88.2 -2.7 178.8 -148.9 97.3 62.1 138 -2.1 0 0.0 0 0.0 0 0.0 11 50
142 143 GLY G g < T - 0 0 70.4 -163.1 -177.6 -32.7 44.7 98.8 139 -1.9 0 0.0 0 0.0 0 0.0 10 56
143 144 LEU L S S S- 0 0 -61.9 -45.3 -178.6 -98.9 91.4 30.5 5 -2.9 0 0.0 0 0.0 0 0.0 12 61
144 145 GLY G - 0 0 157.1 -134.4 178.2 -72.6 48.2 161.3 0 0.0 0 0.0 0 0.0 0 0.0 13 65
145 146 HIS H E E BH - 211 0 -151.7 168.9 175.9 -157.7 26.7 159.5 211 -0.7 211 -2.6 0 0.0 0 0.0 12 71
146 147 PHE F E E BHi - 210 196 -149.0 153.5 -179.4 -124.9 21.5 168.1 195 -1.0 197 -1.5 0 0.0 148 -0.6 12 65
147 148 VAL V E E B*i - 0 197 -104.5 116.9 -179.1 -149.2 24.0 160.3 209 -2.1 208 -2.2 0 0.0 149 -0.5 12 64
148 149 ARG R E E BHi - 207 198 -89.1 121.3 177.7 -144.7 7.1 140.3 197 -2.9 199 -1.8 146 -0.6 0 0.0 11 62
149 150 CYS C E E B i + 0 199 -86.5 133.6 -178.1 175.9 27.3 139.1 206 -2.3 0 0.0 147 -0.5 0 0.0 14 45
150 151 VAL V e - 0 0 -139.0 155.6 179.3 -135.8 40.6 160.7 199 -1.9 0 0.0 0 0.0 0 0.0 12 41
151 152 PRO P S S S+ 0 0 -81.5 -23.1 -179.2 32.5 102.1 38.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
152 153 ASP D h > T - 0 0 -138.9 104.2 -178.5 -172.4 63.1 149.9 0 0.0 156 -2.1 0 0.0 0 0.0 7 29
153 154 SER S H H > TS+ 0 0 -65.3 -34.5 -178.8 54.1 85.6 33.8 0 0.0 157 -3.2 0 0.0 0 0.0 10 39
154 155 ASP D H H > TS+ 0 0 -71.2 -36.6 178.1 46.6 110.2 25.1 0 0.0 158 -2.3 0 0.0 0 0.0 6 32
155 156 LYS K H H > TS+ 0 0 -68.3 -41.9 179.0 47.1 115.4 24.0 0 0.0 159 -1.7 0 0.0 0 0.0 8 30
156 157 ALA A H H X TS+ 0 0 -64.8 -43.4 179.5 52.0 111.0 21.7 152 -2.1 160 -2.6 0 0.0 0 0.0 12 43
157 158 LEU L H H X >TS+ 0 0 -58.9 -46.6 -179.7 52.4 106.9 23.5 153 -3.2 161 -2.6 0 0.0 162 -0.5 10 41
158 159 ALA A H H X >TS+ 0 0 -57.9 -43.5 178.9 45.3 112.7 27.6 154 -2.3 162 -1.2 0 0.0 163 -0.9 9 34
159 160 PHE F H H X >TS+ 0 0 -66.2 -53.5 -178.5 43.4 116.2 15.7 155 -1.7 164 -2.3 0 0.0 163 -1.1 11 45
160 161 TYR Y H H < 5TS+ 0 0 -66.8 -31.2 179.2 29.2 126.9 34.1 156 -2.6 166 -2.5 0 0.0 0 0.0 10 58
161 162 THR T H H X 5TS+ 0 0 -94.0 -51.8 -179.1 36.9 127.5 22.9 157 -2.6 165 -0.9 0 0.0 0 0.0 11 38
162 163 ASP D H H < TS- 0 0 -139.2 161.0 178.4 -119.3 70.2 160.4 0 0.0 220 -1.2 0 0.0 0 0.0 10 31
217 218 LEU L H H > TS+ 0 0 -59.9 -40.4 179.9 58.8 113.9 27.4 0 0.0 221 -2.6 0 0.0 0 0.0 7 34
218 219 ASP D H H > TS+ 0 0 -60.2 -33.7 178.6 59.9 97.3 31.0 0 0.0 222 -3.2 0 0.0 0 0.0 6 30
219 220 ASP D H H > TS+ 0 0 -58.3 -43.6 179.5 42.1 111.0 21.9 0 0.0 223 -1.9 0 0.0 0 0.0 12 41
220 221 VAL V H H X TS+ 0 0 -68.2 -46.4 -179.5 50.3 114.6 22.9 216 -1.2 224 -2.3 0 0.0 0 0.0 14 49
221 222 GLY G H H X TS+ 0 0 -60.8 -45.8 178.4 44.8 113.1 25.1 217 -2.6 225 -1.5 0 0.0 0 0.0 8 43
222 223 PHE F H H X TS+ 0 0 -65.3 -44.0 179.7 50.0 113.5 23.0 218 -3.2 226 -1.8 0 0.0 0 0.0 8 40
223 224 ALA A H H X TS+ 0 0 -61.8 -38.0 179.7 59.0 105.0 29.4 219 -1.9 227 -2.4 0 0.0 0 0.0 10 55
224 225 PHE F H H X TS+ 0 0 -56.5 -48.6 180.0 45.8 107.3 20.0 220 -2.3 228 -3.2 0 0.0 0 0.0 10 52
225 226 ASP D H H X TS+ 0 0 -63.7 -38.5 179.3 53.4 110.7 29.8 221 -1.5 229 -1.8 0 0.0 0 0.0 8 35
226 227 ARG R H H < TS+ 0 0 -61.7 -43.5 -179.7 38.4 116.6 24.5 222 -1.8 0 0.0 0 0.0 0 0.0 9 38
227 228 VAL V H H < >>TS+ 0 0 -73.6 -42.3 180.0 55.8 112.9 27.3 223 -2.4 232 -1.8 0 0.0 230 -1.4 12 45
228 229 ASP D H H < >5TS+ 0 0 -61.7 -31.7 179.1 68.4 95.1 34.6 224 -3.2 231 -1.9 0 0.0 0 0.0 9 33
229 230 ALA A T h < 35TS+ 0 0 -58.8 -28.9 -179.8 42.1 105.1 35.9 225 -1.8 0 0.0 0 0.0 0 0.0 7 23
230 231 ASP D T T <5TS- 0 0 -101.2 8.7 179.2 -113.6 116.6 72.8 227 -1.4 0 0.0 0 0.0 0 0.0 6 26
231 232 GLY G T T <5TS+ 0 0 66.1 31.4 -178.0 128.3 77.7 39.6 228 -1.9 0 0.0 0 0.0 0 0.0 6 25
232 233 LEU L e T - 0 0 -83.7 171.5 179.8 -94.7 39.7 114.8 256 -2.3 255 -1.9 0 0.0 0 0.0 11 58
253 254 PRO P T T 3 TS+ 0 0 -62.7 -18.7 179.1 56.6 126.1 42.0 0 0.0 0 0.0 0 0.0 0 0.0 9 46
254 255 SER S T T 3 TS- 0 0 -90.2 -1.0 -179.2 -112.2 115.4 63.2 0 0.0 0 0.0 0 0.0 0 0.0 10 43
255 256 GLY G S t < TS+ 0 0 93.8 -27.9 177.2 123.6 81.5 84.3 252 -1.9 0 0.0 0 0.0 0 0.0 7 38
256 257 VAL V e - 0 0 -62.7 141.0 179.6 -123.1 63.1 115.2 0 0.0 252 -2.3 0 0.0 0 0.0 12 51
257 258 GLU E E E BmP - 209 251 -93.1 155.2 177.3 -151.0 17.1 127.1 208 -1.4 210 -1.2 0 0.0 0 0.0 11 53
258 259 VAL V E E BmP - 210 250 -122.5 139.8 178.2 -150.8 4.6 164.5 250 -2.5 250 -2.3 0 0.0 0 0.0 12 62
259 260 GLU E E E BmP - 211 249 -109.5 132.1 -178.3 -165.7 8.2 162.2 210 -2.6 212 -2.1 0 0.0 261 -0.5 12 68
260 261 TYR Y E E BmP + 212 248 -121.7 108.3 -174.9 161.6 26.8 162.4 248 -2.1 248 -1.2 0 0.0 0 0.0 12 71
261 262 GLY G E E BmP - 213 247 -131.4 -179.4 -176.8 -158.2 29.0 136.0 212 -2.2 214 -2.8 259 -0.5 0 0.0 14 65
262 263 TRP W E E B P + 0 246 -154.9 150.6 174.5 25.2 65.0 167.7 246 -2.1 246 -2.7 0 0.0 0 0.0 13 51
263 264 SER S + 0 0 67.1 34.6 178.4 170.7 64.0 41.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
264 265 ALA A - 0 0 -71.9 151.5 177.7 -121.7 31.6 112.6 0 0.0 0 0.0 0 0.0 0 0.0 10 49
265 266 ARG R - 0 0 -89.8 159.5 -179.3 -127.6 26.0 124.7 243 -3.0 193 -0.8 0 0.0 0 0.0 9 40
266 267 THR T B B C - 192 0 -107.1 166.6 -179.9 -111.3 14.2 129.3 0 0.0 0 0.0 0 0.0 0 0.0 8 44
267 268 VAL V - 0 0 -97.5 130.6 179.4 -173.3 36.9 145.5 191 -2.9 0 0.0 0 0.0 0 0.0 10 36
268 269 ASP D t > T - 0 0 -112.2 -172.9 -178.3 -89.8 40.9 120.1 0 0.0 271 -1.2 0 0.0 0 0.0 6 26
269 270 ARG R T T 3 TS+ 0 0 -72.4 -26.2 179.4 54.2 123.3 39.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
270 271 SER S T T 3 TS+ 0 0 -90.8 11.5 -180.0 132.5 81.3 70.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
271 272 TRP W t < T - 0 0 -61.1 144.2 176.5 -164.8 37.6 105.1 268 -1.2 0 0.0 0 0.0 0 0.0 7 26
272 273 VAL V - 0 0 -132.3 144.5 179.4 -105.0 26.2 170.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
273 274 VAL V + 0 0 -67.1 136.3 178.4 170.3 46.6 117.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
274 275 VAL V E E Bk - 170 0 -138.2 172.3 177.5 -128.1 24.2 148.0 169 -0.6 171 -1.7 0 0.0 0 0.0 7 30
275 276 ARG R E E Bk - 171 0 -125.5 155.0 -179.8 -163.6 15.2 155.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
276 277 HIS H E E Bk - 172 0 -134.3 154.6 177.7 -155.9 18.8 163.6 171 -1.8 173 -2.6 0 0.0 0 0.0 11 30
277 278 ASP D S S S+ 0 0 -106.7 -7.3 179.4 48.1 83.8 62.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
278 279 SER S - 0 0 -134.0 143.5 179.6 -149.1 64.6 171.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
279 280 PRO P S e S+ 0 0 -85.2 -16.6 -178.4 45.3 82.3 46.6 0 0.0 241 -1.5 0 0.0 0 0.0 10 49
280 281 SER S E E BO - 240 0 -135.1 142.4 177.8 -159.5 53.4 168.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
281 282 MET M E E B* S- 0 0 -75.5 -47.4 178.3 -14.7 86.4 31.3 239 -2.8 0 0.0 0 0.0 0 0.0 9 29
282 283 TRP W E E BO S+ 239 0 -153.5 160.1 178.9 9.2 111.8 166.1 239 -1.0 239 -2.1 0 0.0 0 0.0 7 24
283 284 GLY G E E BO + 238 0 69.5 -149.9 -179.0 124.2 55.0 104.2 0 0.0 0 0.0 0 0.0 0 0.0 9 28
284 285 HIS H e - 0 0 57.1 43.0 179.1 -179.6 43.0 25.6 237 -1.3 0 0.0 0 0.0 0 0.0 12 35
285 286 LYS K - 0 0 -76.1 124.5 179.9 -115.7 31.6 128.0 0 0.0 236 -2.3 0 0.0 0 0.0 8 25
286 287 SER S B B D 235 0 -66.1 128.4 179.8 999.9 999.9 119.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
287 288 VAL V 0 0 -127.1 12.7 999.9 999.9 999.9 76.7 234 -2.7 0 0.0 0 0.0 0 0.0 6 22
288 289 ARG R 0 0 999.9 999.9 999.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 -1 -1
1han-.pdb
1HAN OXIDOREDUCTASE (OXYGENASE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEEEES HHHHHHHHHHTT EEEEEETTEEEEESSSBS SEEEEE SS EEEEEEEEESSHHHHHHHHHHHHHTT EE HHHHHHHT S Kabs/Sand
chirality ---+-----+-+++++++++++++-+-----+-+-----+--+---+--+-+-+-+-----------+++++++++++++-+-------++++++-+-- chirality
bends S SSSSSSSSSSSS SS S SSSSS S SS S SSSSSSSSSSSSSSSS SSSSSSS S bends
turns TTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTTTT turns
5-turns >>555<< >5555< >5555< 5-turns
3-turns >33< >>3<< >33< 3-turns
bridge-2 bbbbb DDD DDD eeee bridge-2
bridge-1 A*AA*AAAAA CC**CC CC*CC A bbbbb AA*AAAAAA FF bridge-1
sheets AAAAAAAAAAA AAAAAA AAAAA AAAAA AAAAAAAAA AA sheets
4-turns >>>>XXXX>>>XXXXXXX<<<< >>>>X<<<< 4-turns
summary eEEEEEEEEEEEShHHHHHHHHHHhTt EEEEEETTEEEEESSSBS eEEEEEeSS EEEEEEEEEehHHHHHHHHHHHHHhTt EEehHHHHHHHhtS summary
sequence SIRSLGYMGFAVSDVAAWRSFLTQKLGLMEAGTTDNGDLFRIDSRAWRIAVQQGEVDDLAFAGYEVADAAGLAQMADKLKQAGIAVTTGDASLARRRGVT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEE TTS EEEEEE B TTS SSS B GGG S EEEEE S HHHHHHHHHHTT EEEEEEEEE SSS EEEEEEEESSSBS SEEEE Kabs/Sand
chirality +--+---+-+----+-+----+++--+--+-+----++-+--------+-+-+++++++++++-+--+------+--+++-------++-+--++--+-+ chirality
bends SSS SSS SSS SSS S S SSSSSSSSSSSS SSS SSSSS S bends
turns TTTT TTTT TTTTT TTTTTTTTTTTTTT turns
5-turns >>>55<<< 5-turns
3-turns >33< >33< >>3<< 3-turns
bridge-2 GGGGGG GGGGGG iiii kkk LLLL LLLL bridge-2
bridge-1 FF eeee A B HH*H JJ*JJJJJJ JJJJJJJJ C iiii bridge-1
sheets AAAAAA AAAAAA BBBBB BBBBBBBBB BBBBBBBB BBBB sheets
4-turns >>>>XXXX5555< 5-turns
3-turns >>3<< >33< >33< 3-turns
bridge-2 mmmmm D OOO PPPPPP PPPPPP bridge-2
bridge-1 H**HH B N*N**NN NN*NN mmmmm C kkk O*OO D bridge-1
sheets BBBBBBB BBBBBBBB BBBBBB BBBBBB BBB BBBB sheets
4-turns >>>>XXXXXX<<<< 4-turns
summary SSeEEEEEEEeShHHHHHHHHHHHHhTTeEEEEEEEEeSS eEEEEEEeTTteEEEEEE B tTTt EEES eEEEEe B summary
sequence FPLPKRIHHFMLEVASLDDVGFAFDRVDADGLITSTLGRHTNDHMVSFYASTPSGVEVEYGWSARTVDRSWVVVRHDSPSMWGHKSVR sequence
210 220 230 240 250 260 270 280