Secondary structure calculation program - copyright by David Keith Smith, 1989
1hdoA.pdb
1HDO BILIVERDIN-IX BETA REDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 205
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 MET M 0 0 999.9 136.2 -166.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 15
2 A 2 ALA A - 0 0 -96.7 153.1 175.1 -107.4 999.9 116.3 0 0.0 0 0.0 0 0.0 0 0.0 4 24
3 A 3 VAL V + 0 0 -60.6 133.4 172.9 156.6 44.7 114.8 189 -0.5 0 0.0 0 0.0 0 0.0 10 37
4 A 4 LYS K e + 0 0 -124.4 -41.2 -179.2 53.3 58.3 50.8 0 0.0 29 -2.8 0 0.0 6 -0.5 8 39
5 A 5 A LYS K E E Aa + 29 0 -103.0 124.4 174.9 171.4 66.3 149.1 0 0.0 69 -2.9 0 0.0 70 -1.1 12 48
6 A 6 ILE I E E Aab - 30 70 -131.4 152.0 164.4 -143.4 26.3 168.1 29 -2.2 31 -2.7 4 -0.5 0 0.0 14 63
7 A 7 ALA A E E Aab - 31 71 -100.1 139.9 170.4 -158.9 15.9 157.9 70 -1.8 72 -2.8 0 0.0 0 0.0 14 71
8 A 8 ILE I E E Aab - 32 72 -118.6 126.9 171.5 -162.6 1.4 170.8 31 -2.5 33 -1.2 0 0.0 0 0.0 15 80
9 A 9 PHE F E E Aab S+ 33 73 -101.4 136.2 -173.2 24.4 80.8 150.9 72 -2.6 74 -2.6 0 0.0 0 0.0 14 77
10 A 10 GLY G S e > TS+ 0 0 77.4 28.8 -178.1 150.3 74.7 42.7 33 -0.6 13 -1.6 0 0.0 0 0.0 13 64
11 A 11 ALA A T T 3 T + 0 0 -67.9 -18.4 178.4 56.6 66.3 49.2 0 0.0 0 0.0 0 0.0 0 0.0 15 67
12 A 12 THR T T T 3 TS+ 0 0 -91.0 -1.6 179.7 94.1 90.1 62.6 0 0.0 0 0.0 0 0.0 0 0.0 10 51
13 A 13 GLY G S h > < TS- 0 0 -82.5 -179.0 -172.7 -89.2 96.8 96.6 10 -1.6 17 -2.8 0 0.0 0 0.0 11 46
14 A 14 GLN Q H H > TS+ 0 0 -64.3 -43.6 177.2 31.0 128.2 23.0 0 0.0 18 -0.7 0 0.0 0 0.0 7 44
15 A 15 THR T H H > TS+ 0 0 -78.8 -35.5 -179.2 59.3 116.8 31.8 0 0.0 19 -2.5 0 0.0 0 0.0 13 56
16 A 16 GLY G H H > TS+ 0 0 -60.4 -38.5 -175.0 56.7 99.1 27.0 0 0.0 20 -3.0 0 0.0 0 0.0 14 63
17 A 17 LEU L H H X TS+ 0 0 -62.2 -46.0 -176.8 39.1 113.1 23.9 13 -2.8 21 -2.5 0 0.0 0 0.0 11 56
18 A 18 THR T H H X TS+ 0 0 -75.0 -33.7 174.1 53.8 114.4 30.2 14 -0.7 22 -2.7 0 0.0 0 0.0 11 54
19 A 19 THR T H H X TS+ 0 0 -60.8 -43.8 177.2 47.8 111.1 23.5 15 -2.5 23 -2.6 0 0.0 0 0.0 15 64
20 A 20 LEU L H H X TS+ 0 0 -60.6 -49.6 -179.6 47.1 112.8 17.7 16 -3.0 24 -2.5 0 0.0 0 0.0 14 62
21 A 21 ALA A H H X TS+ 0 0 -59.5 -45.9 179.7 46.5 115.3 21.6 17 -2.5 25 -2.5 0 0.0 0 0.0 12 51
22 A 22 GLN Q H H X TS+ 0 0 -61.3 -43.5 -176.6 52.0 110.9 26.3 18 -2.7 26 -2.2 0 0.0 0 0.0 11 52
23 A 23 ALA A H H < >TS+ 0 0 -64.0 -43.9 179.3 44.8 111.9 24.8 19 -2.6 28 -2.2 0 0.0 0 0.0 11 57
24 A 24 VAL V H H < >5TS+ 0 0 -64.6 -44.1 -178.4 51.0 113.2 20.9 20 -2.5 27 -1.4 0 0.0 0 0.0 13 42
25 A 25 GLN Q H H < 35TS+ 0 0 -61.6 -33.4 -178.2 55.7 107.1 28.8 21 -2.5 0 0.0 0 0.0 0 0.0 8 30
26 A 26 ALA A T h < 35TS- 0 0 -76.5 -10.3 176.8 -99.8 125.4 57.4 22 -2.2 0 0.0 0 0.0 0 0.0 6 33
27 A 27 GLY G T T <5TS+ 0 0 108.5 0.9 178.2 143.4 71.8 61.8 24 -1.4 0 0.0 0 0.0 0 0.0 7 30
28 A 28 TYR Y t T - 0 0 -144.5 104.7 -174.7 -162.1 64.8 155.5 0 0.0 39 -1.9 0 0.0 0 0.0 7 24
37 A 37 SER S G G > TS+ 0 0 -68.9 -16.2 177.3 76.0 85.1 48.3 0 0.0 40 -1.7 0 0.0 0 0.0 7 30
38 A 38 SER S G G 3 TS+ 0 0 -67.1 -15.3 179.3 67.2 84.5 46.5 0 0.0 0 0.0 0 0.0 0 0.0 5 22
39 A 39 ARG R G G < TS+ 0 0 -84.3 -2.2 170.4 87.7 84.2 62.2 36 -1.9 0 0.0 0 0.0 0 0.0 6 32
40 A 40 LEU L S g < TS- 0 0 -88.1 143.4 179.4 -116.7 84.1 138.5 37 -1.7 0 0.0 0 0.0 0 0.0 7 39
41 A 41 PRO P - 0 0 -78.9 157.6 168.2 -151.6 10.1 113.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
42 A 42 A SER S S S S+ 0 0 -85.8 -45.5 179.4 68.5 79.6 31.2 0 0.0 0 0.0 0 0.0 0 0.0 5 20
43 A 43 GLU E S S S+ 0 0 -73.6 155.2 175.7 18.8 93.3 111.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
44 A 44 GLY G S S S- 0 0 82.7 -172.3 -178.1 -10.9 109.7 99.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
45 A 45 PRO P - 0 0 -65.0 148.1 -171.2 -150.6 66.2 105.9 0 0.0 0 0.0 0 0.0 0 0.0 9 29
46 A 46 ARG R - 0 0 -124.6 140.8 175.8 -108.0 17.0 158.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
47 A 47 PRO P - 0 0 -63.2 153.0 175.0 -132.9 20.1 106.1 0 0.0 0 0.0 0 0.0 0 0.0 12 46
48 A 48 ALA A S S S+ 0 0 -72.6 -32.6 -174.2 24.6 89.4 37.4 30 -1.2 0 0.0 0 0.0 0 0.0 7 37
49 A 49 HIS H E E Ac - 31 0 -141.2 134.4 178.2 -164.4 63.6 174.8 30 -2.1 32 -2.1 0 0.0 0 0.0 7 42
50 A 50 VAL V E E Ac - 32 0 -120.9 121.7 171.6 -168.8 2.8 169.5 0 0.0 52 -0.5 0 0.0 0 0.0 9 46
51 A 51 VAL V E E Ac - 33 0 -107.9 127.2 177.2 -146.5 14.3 164.9 32 -3.2 34 -2.7 0 0.0 53 -0.6 11 41
52 A 52 VAL V E E Ac + 34 0 -93.3 120.8 -178.9 79.7 54.7 147.2 50 -0.5 0 0.0 0 0.0 0 0.0 10 34
53 A 53 GLY G S e S- 0 0 169.0 -163.3 -166.1 -70.6 71.9 170.3 34 -2.1 0 0.0 51 -0.6 0 0.0 11 37
54 A 54 ASP D t > T - 0 0 -130.2 135.9 -179.5 -136.2 20.6 159.8 0 0.0 57 -2.0 0 0.0 0 0.0 10 45
55 A 55 VAL V T T 3 TS+ 0 0 -66.0 -15.1 177.5 63.7 106.9 47.2 0 0.0 0 0.0 0 0.0 0 0.0 12 52
56 A 56 LEU L T T 3 TS+ 0 0 -83.6 -7.5 176.7 79.8 87.8 60.5 0 0.0 58 -0.7 0 0.0 0 0.0 9 38
57 A 57 GLN Q S h > X TS- 0 0 -103.3 112.4 -176.6 -153.8 71.0 156.7 54 -2.0 61 -2.0 0 0.0 60 -0.8 9 31
58 A 58 ALA A H H > 3 TS+ 0 0 -53.4 -40.3 -175.5 54.7 93.0 32.2 56 -0.7 62 -3.1 0 0.0 0 0.0 10 35
59 A 59 ALA A H H > 3 TS+ 0 0 -66.4 -35.2 -179.8 49.4 107.6 30.7 0 0.0 63 -2.0 0 0.0 0 0.0 6 31
60 A 60 ASP D H H > < TS+ 0 0 -68.4 -42.9 177.7 46.2 113.7 25.7 57 -0.8 64 -1.2 0 0.0 0 0.0 13 40
61 A 61 VAL V H H X TS+ 0 0 -63.6 -43.0 -178.0 54.5 110.2 24.2 57 -2.0 65 -2.4 0 0.0 0 0.0 16 54
62 A 62 ASP D H H X TS+ 0 0 -59.2 -43.8 -178.8 49.9 107.0 22.0 58 -3.1 66 -2.1 0 0.0 0 0.0 12 45
63 A 63 LYS K H H < TS+ 0 0 -62.9 -31.1 -177.6 49.1 112.4 35.9 59 -2.0 0 0.0 0 0.0 0 0.0 8 45
64 A 64 THR T H H < TS+ 0 0 -77.6 -37.7 -176.4 43.4 114.0 30.9 60 -1.2 0 0.0 0 0.0 0 0.0 11 54
65 A 65 VAL V H H < > TS+ 0 0 -83.3 -27.0 179.5 112.1 85.2 41.3 61 -2.4 68 -2.1 0 0.0 0 0.0 14 59
66 A 66 ALA A T h < 3 TS+ 0 0 -49.3 129.3 172.7 6.0 88.5 106.1 62 -2.1 0 0.0 0 0.0 0 0.0 9 43
67 A 67 GLY G T T 3 TS+ 0 0 83.3 -1.8 -175.3 135.0 96.7 65.9 0 0.0 0 0.0 0 0.0 0 0.0 7 39
68 A 68 GLN Q t < T - 0 0 -81.4 159.8 168.9 -151.7 50.2 115.1 65 -2.1 0 0.0 0 0.0 0 0.0 10 48
69 A 69 ASP D S S S- 0 0 -91.2 -27.4 -177.5 -4.5 80.6 48.3 5 -2.9 0 0.0 0 0.0 0 0.0 11 48
70 A 70 ALA A E E Ab - 6 0 -161.5 164.0 -179.3 -131.3 63.1 167.0 5 -1.1 7 -1.8 0 0.0 0 0.0 14 61
71 A 71 VAL V E E Abd - 7 106 -127.7 135.7 169.8 -158.9 7.3 170.8 105 -2.1 107 -2.6 0 0.0 0 0.0 13 73
72 A 72 A ILE I E E Abd - 8 107 -110.9 130.9 -179.0 -156.8 11.6 163.0 7 -2.8 9 -2.6 0 0.0 74 -0.5 12 79
73 A 73 VAL V E E Abd + 9 108 -116.3 117.1 179.1 153.5 29.4 163.5 107 -2.6 109 -2.6 0 0.0 0 0.0 11 81
74 A 74 LEU L e + 0 0 -132.1 34.7 171.5 150.0 26.7 102.5 9 -2.6 0 0.0 72 -0.5 0 0.0 13 68
75 A 75 LEU L + 0 0 -63.3 152.4 177.5 147.8 13.2 109.0 0 0.0 0 0.0 0 0.0 0 0.0 10 68
76 A 76 GLY G - 0 0 -171.3 -177.5 -176.0 -108.9 53.7 163.2 0 0.0 0 0.0 0 0.0 0 0.0 8 57
77 A 77 THR T t > T - 0 0 -115.1 15.6 -179.8 -142.2 40.4 81.1 0 0.0 80 -2.4 0 0.0 0 0.0 8 44
78 A 78 ARG R T T 3 TS- 0 0 53.6 -124.4 -173.9 -19.8 77.9 112.8 0 0.0 0 0.0 0 0.0 0 0.0 5 37
79 A 79 ASN N T T 3 TS+ 0 0 -97.3 8.3 -177.5 114.4 108.6 67.4 0 0.0 81 -0.6 0 0.0 0 0.0 4 22
80 A 80 ASP D t < T + 0 0 -85.1 113.6 -177.0 172.3 34.1 134.8 77 -2.4 0 0.0 0 0.0 0 0.0 5 23
81 A 81 LEU L + 0 0 -104.3 8.6 -177.9 120.1 36.3 75.3 79 -0.6 0 0.0 0 0.0 0 0.0 9 24
82 A 82 SER S S S S- 0 0 -73.4 160.4 174.0 -70.7 80.1 105.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
83 A 83 PRO P + 0 0 -49.1 140.6 -163.7 171.7 69.4 102.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
84 A 84 THR T - 0 0 -160.3 148.3 170.7 -174.6 46.3 177.1 0 0.0 0 0.0 0 0.0 0 0.0 8 31
85 A 85 THR T h > T + 0 0 -127.0 11.8 -175.0 109.8 60.8 81.5 0 0.0 89 -2.9 0 0.0 0 0.0 7 37
86 A 86 VAL V H H > TS+ 0 0 -57.7 -51.0 -177.0 42.5 81.4 19.9 0 0.0 90 -2.5 0 0.0 0 0.0 10 44
87 A 87 MET M H H > TS+ 0 0 -64.2 -46.7 -177.5 43.6 118.3 21.1 0 0.0 91 -2.6 0 0.0 0 0.0 12 54
88 A 88 SER S H H > TS+ 0 0 -69.6 -39.4 175.7 47.4 115.4 24.7 0 0.0 92 -2.3 0 0.0 0 0.0 13 48
89 A 89 GLU E H H X TS+ 0 0 -66.3 -39.1 173.7 51.7 112.3 25.8 85 -2.9 93 -2.0 0 0.0 0 0.0 10 44
90 A 90 GLY G H H X TS+ 0 0 -58.8 -44.2 177.7 50.8 108.8 19.5 86 -2.5 94 -2.6 0 0.0 0 0.0 10 59
91 A 91 ALA A H H X TS+ 0 0 -61.7 -39.6 174.8 55.1 105.7 27.5 87 -2.6 95 -2.9 0 0.0 0 0.0 11 67
92 A 92 ARG R H H X TS+ 0 0 -56.8 -44.7 179.0 46.0 110.8 21.4 88 -2.3 96 -2.1 0 0.0 0 0.0 11 46
93 A 93 ASN N H H X TS+ 0 0 -65.0 -39.8 178.9 51.6 111.7 25.7 89 -2.0 97 -2.5 0 0.0 0 0.0 14 50
94 A 94 ILE I H H X TS+ 0 0 -62.8 -45.9 179.3 48.7 110.1 21.7 90 -2.6 98 -2.7 0 0.0 0 0.0 13 68
95 A 95 VAL V H H X TS+ 0 0 -60.9 -44.9 -178.6 49.0 111.8 23.7 91 -2.9 99 -2.6 0 0.0 0 0.0 11 56
96 A 96 ALA A H H X TS+ 0 0 -64.1 -39.2 179.2 47.3 112.8 21.4 92 -2.1 100 -2.3 0 0.0 0 0.0 8 44
97 A 97 ALA A H H X TS+ 0 0 -69.5 -38.2 177.7 52.6 110.7 27.2 93 -2.5 101 -1.5 0 0.0 0 0.0 13 47
98 A 98 MET M H H X >TS+ 0 0 -60.9 -46.0 -178.1 44.8 112.3 19.6 94 -2.7 103 -2.1 0 0.0 102 -0.8 13 49
99 A 99 LYS K H H < >5TS+ 0 0 -68.1 -36.8 178.6 53.5 111.0 26.7 95 -2.6 102 -0.5 0 0.0 0 0.0 9 37
100 A 100 ALA A H H < 35TS+ 0 0 -65.9 -25.4 -174.6 36.3 118.7 37.0 96 -2.3 0 0.0 0 0.0 0 0.0 7 31
101 A 101 HIS H H H < 35TS- 0 0 -114.6 5.6 174.5 -109.0 111.8 74.1 97 -1.5 0 0.0 0 0.0 0 0.0 9 31
102 A 102 GLY G T h < <5T + 0 0 79.9 17.2 178.9 148.3 65.2 47.2 98 -0.8 0 0.0 99 -0.5 0 0.0 6 30
103 A 103 VAL V t T - 0 0 -163.6 155.3 172.9 -107.2 22.1 170.9 0 0.0 114 -2.2 0 0.0 0 0.0 12 65
112 A 112 ALA A G G > > TS+ 0 0 -58.6 -19.0 173.6 82.2 106.0 48.2 151 -2.8 116 -2.5 0 0.0 115 -2.3 11 54
113 A 113 PHE F G G 4 3 TS+ 0 0 -58.2 -22.7 179.7 63.2 83.2 39.9 0 0.0 0 0.0 0 0.0 0 0.0 12 46
114 A 114 LEU L G G 4 < TS+ 0 0 -81.9 -3.0 170.4 35.9 111.6 60.2 111 -2.2 0 0.0 0 0.0 0 0.0 12 47
115 A 115 LEU L T g 4 < TS+ 0 0 -110.6 -35.9 179.8 74.0 107.5 50.2 112 -2.3 0 0.0 0 0.0 0 0.0 11 39
116 A 116 TRP W S t < TS- 0 0 -73.4 169.8 -178.9 -60.2 110.3 103.1 112 -2.5 0 0.0 0 0.0 0 0.0 8 37
117 A 117 ASP D t > T - 0 0 -55.3 124.3 -166.3 -142.2 49.6 111.6 0 0.0 120 -1.9 0 0.0 0 0.0 8 22
118 A 118 PRO P T T 3 TS+ 0 0 -75.3 -6.3 178.9 61.3 98.2 60.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
119 A 119 THR T T T 3 TS+ 0 0 -93.8 2.9 -175.6 70.0 93.4 71.0 0 0.0 0 0.0 0 0.0 0 0.0 4 18
120 A 120 LYS K t < T + 0 0 -120.8 47.6 171.1 121.6 64.3 117.1 117 -1.9 0 0.0 0 0.0 0 0.0 7 21
121 A 121 VAL V S S S- 0 0 -104.2 125.0 178.9 -107.2 72.4 156.9 0 0.0 0 0.0 0 0.0 0 0.0 10 30
122 A 122 PRO P g > T - 0 0 -55.9 137.1 -178.7 -120.3 31.2 113.5 0 0.0 125 -1.9 0 0.0 0 0.0 6 22
123 A 123 PRO P G G > TS+ 0 0 -49.0 -40.2 -176.1 58.2 110.2 33.1 0 0.0 126 -1.5 0 0.0 0 0.0 5 19
124 A 124 ARG R G G 3 TS+ 0 0 -67.6 -20.0 177.8 45.4 109.4 45.0 0 0.0 0 0.0 0 0.0 0 0.0 6 22
125 A 125 LEU L G h > < TS+ 0 0 -100.1 1.6 -176.3 93.3 86.1 68.2 122 -1.9 129 -2.4 0 0.0 0 0.0 9 34
126 A 126 GLN Q H H > < TS+ 0 0 -64.9 -40.2 -177.4 52.5 82.0 26.7 123 -1.5 130 -2.7 0 0.0 0 0.0 9 32
127 A 127 ALA A H H > TS+ 0 0 -63.8 -43.3 175.9 43.4 113.5 20.2 0 0.0 131 -1.4 0 0.0 0 0.0 11 34
128 A 128 VAL V H H > TS+ 0 0 -65.0 -43.3 176.5 52.8 113.4 20.8 0 0.0 132 -2.3 0 0.0 0 0.0 12 41
129 A 129 THR T H H X TS+ 0 0 -59.3 -39.6 178.8 57.3 103.2 26.3 125 -2.4 133 -2.5 0 0.0 0 0.0 12 47
130 A 130 ASP D H H X TS+ 0 0 -60.8 -35.7 178.1 46.6 108.7 29.7 126 -2.7 134 -1.9 0 0.0 0 0.0 8 43
131 A 131 ASP D H H X TS+ 0 0 -78.6 -30.6 168.9 55.6 107.4 29.2 127 -1.4 135 -2.8 0 0.0 0 0.0 13 45
132 A 132 HIS H H H X TS+ 0 0 -56.9 -41.8 179.9 51.0 108.1 25.8 128 -2.3 136 -2.9 0 0.0 0 0.0 13 53
133 A 133 ILE I H H X TS+ 0 0 -63.4 -44.5 174.9 48.1 110.0 22.2 129 -2.5 137 -2.3 0 0.0 0 0.0 10 46
134 A 134 ARG R H H X TS+ 0 0 -60.1 -42.0 178.1 49.3 112.5 20.4 130 -1.9 138 -2.3 0 0.0 0 0.0 9 40
135 A 135 A MET M H H X TS+ 0 0 -62.9 -43.6 177.7 50.8 109.7 22.2 131 -2.8 139 -2.4 0 0.0 0 0.0 14 55
136 A 136 HIS H H H X TS+ 0 0 -59.8 -42.8 178.7 51.0 109.8 25.0 132 -2.9 140 -2.9 0 0.0 0 0.0 11 54
137 A 137 LYS K H H X TS+ 0 0 -60.8 -46.3 -178.8 50.6 109.1 18.9 133 -2.3 141 -2.4 0 0.0 0 0.0 8 42
138 A 138 VAL V H H X TS+ 0 0 -58.5 -44.4 -177.2 43.2 115.2 21.4 134 -2.3 142 -0.6 0 0.0 0 0.0 12 41
139 A 139 LEU L H H < > TS+ 0 0 -72.6 -39.9 -178.6 48.5 113.9 23.6 135 -2.4 142 -0.6 0 0.0 0 0.0 13 52
140 A 140 ARG R H H < > TS+ 0 0 -70.2 -32.1 -178.2 47.4 113.7 32.4 136 -2.9 143 -0.7 0 0.0 0 0.0 10 42
141 A 141 GLU E H H < 3 TS+ 0 0 -85.4 -5.5 -177.6 79.8 91.5 56.7 137 -2.4 0 0.0 0 0.0 0 0.0 6 32
142 A 142 SER S T h < < TS- 0 0 -69.0 -21.9 -173.6 -140.2 90.9 43.1 138 -0.6 0 0.0 139 -0.6 0 0.0 7 38
143 A 143 A GLY G t < T + 0 0 68.9 1.7 173.5 127.3 60.4 70.2 140 -0.7 0 0.0 0 0.0 0 0.0 7 31
144 A 144 LEU L S S S- 0 0 -69.2 168.2 176.6 -80.6 81.2 109.7 0 0.0 146 -0.7 0 0.0 0 0.0 9 43
145 A 145 LYS K E E Ae - 105 0 -78.0 112.6 -167.9 -178.4 63.4 130.4 104 -2.5 106 -2.8 0 0.0 0 0.0 9 45
146 A 146 TYR Y E E Ae - 106 0 -127.5 121.1 171.4 -164.3 24.0 166.4 144 -0.7 196 -2.5 0 0.0 148 -0.6 14 51
147 A 147 VAL V E E Ae - 107 0 -102.6 116.1 177.8 -150.7 16.8 159.2 106 -2.4 108 -2.3 0 0.0 149 -0.7 14 60
148 A 148 ALA A E E Aef - 108 198 -90.3 114.1 177.6 -162.3 8.5 145.4 197 -2.2 199 -2.2 146 -0.6 150 -0.6 14 64
149 A 149 VAL V E E Aef - 109 199 -101.9 119.1 -168.7 -179.4 9.8 156.6 108 -2.7 110 -3.0 147 -0.7 0 0.0 14 73
150 A 150 MET M e - 0 0 -124.3 74.2 -171.9 -177.0 11.1 139.1 199 -3.0 0 0.0 148 -0.6 0 0.0 16 72
151 A 151 PRO P - 0 0 -79.5 156.0 168.2 -135.8 20.2 113.3 0 0.0 112 -2.8 0 0.0 0 0.0 16 63
152 A 152 PRO P S S S- 0 0 -79.0 -157.7 -178.2 -19.6 71.6 83.9 0 0.0 0 0.0 0 0.0 0 0.0 13 55
153 A 153 HIS H E E Bg S- 175 0 -53.4 134.2 179.6 -130.6 70.3 105.7 174 -1.1 176 -2.5 0 0.0 155 -0.6 7 46
154 A 154 ILE I E E Bg - 176 0 -93.1 116.9 -179.3 -172.7 32.4 146.6 0 0.0 0 0.0 0 0.0 0 0.0 10 48
155 A 155 GLY G E E Bg - 177 0 -101.3 -176.9 -178.8 -122.5 33.1 107.6 176 -2.5 178 -2.9 153 -0.6 0 0.0 8 35
156 A 156 A ASP D + 0 0 -112.2 12.2 -178.2 133.3 61.0 82.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
157 A 157 GLN Q - 0 0 -61.8 157.6 179.0 -85.0 64.8 103.1 0 0.0 179 -0.5 0 0.0 0 0.0 8 30
158 A 158 A PRO P - 0 0 -62.7 157.0 169.4 -87.0 50.5 100.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
159 A 159 LEU L + 0 0 -54.6 131.9 174.3 160.4 52.6 117.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
160 A 160 THR T - 0 0 -124.5 -34.4 -169.9 -150.0 33.1 52.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
161 A 161 GLY G S S S+ 0 0 62.8 17.1 -170.5 101.5 75.6 48.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
162 A 162 ALA A + 0 0 -118.5 7.4 -179.3 124.1 46.9 74.5 0 0.0 0 0.0 0 0.0 0 0.0 5 31
163 A 163 TYR Y - 0 0 -67.4 167.6 -179.0 -116.8 58.9 98.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
164 A 164 THR T E E AH - 202 0 -108.0 138.5 175.9 -153.0 18.1 148.1 202 -2.7 202 -2.2 0 0.0 166 -0.5 10 41
165 A 165 VAL V E E AH + 201 0 -118.2 120.0 176.5 175.1 17.9 166.9 0 0.0 0 0.0 0 0.0 0 0.0 9 48
166 A 166 THR T E E AH - 200 0 -112.9 173.4 -177.6 -136.8 31.4 132.2 200 -2.2 200 -2.8 164 -0.5 0 0.0 10 40
167 A 167 LEU L S S S+ 0 0 -108.9 2.4 -170.6 50.2 94.1 67.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
168 A 168 ASP D S S S- 0 0 -130.8 4.7 175.9 -104.0 106.4 68.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
169 A 169 GLY G S S S+ 0 0 84.0 0.1 171.3 110.7 87.6 61.7 0 0.0 0 0.0 0 0.0 0 0.0 11 38
170 A 170 ARG R + 0 0 -97.0 150.0 177.6 121.4 40.2 143.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
171 A 171 GLY G S S S- 0 0 175.4 -172.4 -174.9 -55.8 73.4 173.3 0 0.0 0 0.0 0 0.0 0 0.0 12 30
172 A 172 PRO P S S S- 0 0 -65.6 -19.1 178.8 -8.8 109.0 43.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
173 A 173 SER S - 0 0 -157.4 -177.6 171.2 -112.7 58.3 157.4 0 0.0 0 0.0 0 0.0 0 0.0 9 33
174 A 174 ARG R S e S+ 0 0 -116.1 37.1 173.7 79.2 90.1 101.5 0 0.0 153 -1.1 0 0.0 0 0.0 9 40
175 A 175 A VAL V E E Bg + 153 0 -143.2 144.3 169.0 179.4 47.3 179.0 0 0.0 203 -2.1 0 0.0 0 0.0 12 44
176 A 176 ILE I E E Bg - 154 0 -134.1 134.3 174.4 -119.1 33.1 173.4 153 -2.5 155 -2.5 0 0.0 0 0.0 16 49
177 A 177 A SER S E E >Bg T - 155 0 -66.0 145.4 173.2 -123.1 22.1 117.9 0 0.0 181 -3.0 0 0.0 0 0.0 12 46
178 A 178 LYS K H H > TS+ 0 0 -51.3 -39.2 -179.1 53.1 115.1 29.3 155 -2.9 182 -2.3 0 0.0 0 0.0 14 55
179 A 179 HIS H H H > TS+ 0 0 -67.0 -44.6 176.0 45.1 110.1 22.5 157 -0.5 183 -2.3 0 0.0 0 0.0 14 49
180 A 180 ASP D H H > TS+ 0 0 -65.4 -37.9 175.9 55.1 110.4 28.4 0 0.0 184 -2.4 0 0.0 0 0.0 13 51
181 A 181 LEU L H H X TS+ 0 0 -60.6 -44.6 177.2 46.2 110.5 19.9 177 -3.0 185 -2.5 0 0.0 0 0.0 14 68
182 A 182 GLY G H H X TS+ 0 0 -63.8 -41.1 176.5 53.0 109.9 21.5 178 -2.3 186 -2.2 0 0.0 0 0.0 13 73
183 A 183 HIS H H H X TS+ 0 0 -58.0 -40.6 -180.0 50.1 109.8 27.3 179 -2.3 187 -2.2 0 0.0 0 0.0 12 59
184 A 184 PHE F H H X TS+ 0 0 -68.3 -42.8 176.1 54.6 105.6 23.3 180 -2.4 188 -2.0 0 0.0 0 0.0 10 63
185 A 185 A MET M H H < TS+ 0 0 -56.2 -39.8 175.7 47.4 110.9 23.1 181 -2.5 0 0.0 0 0.0 0 0.0 13 74
186 A 186 LEU L H H < > TS+ 0 0 -67.9 -37.7 177.8 57.0 106.1 27.7 182 -2.2 189 -1.7 0 0.0 0 0.0 10 65
187 A 187 ARG R H H < > TS+ 0 0 -59.1 -36.1 -177.2 64.0 97.1 29.0 183 -2.2 190 -2.0 0 0.0 0 0.0 8 53
188 A 188 CYS C T h < 3 TS+ 0 0 -65.0 -16.2 174.6 65.8 91.9 47.5 184 -2.0 0 0.0 0 0.0 0 0.0 11 58
189 A 189 LEU L T T < TS+ 0 0 -75.5 -14.5 -173.6 44.8 103.3 51.1 186 -1.7 3 -0.5 0 0.0 0 0.0 11 54
190 A 190 THR T S t < TS+ 0 0 -120.0 14.3 170.9 52.7 110.5 76.4 187 -2.0 0 0.0 0 0.0 0 0.0 8 34
191 A 191 THR T - 0 0 -140.8 152.9 168.6 -157.5 53.6 173.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
192 A 192 A ASP D S t > TS+ 0 0 -96.0 1.1 -165.9 102.1 71.6 67.6 0 0.0 195 -1.7 0 0.0 0 0.0 7 30
193 A 193 GLU E T T 3 TS+ 0 0 -66.7 -21.5 178.8 39.7 84.9 45.0 0 0.0 0 0.0 0 0.0 0 0.0 4 27
194 A 194 TYR Y T T > TS+ 0 0 -102.2 -0.5 -179.2 126.8 81.0 66.6 0 0.0 197 -2.4 0 0.0 0 0.0 10 36
195 A 195 ASP D T T < TS+ 0 0 -62.0 132.4 -177.6 12.8 83.8 114.8 192 -1.7 0 0.0 0 0.0 0 0.0 9 41
196 A 196 GLY G T T 3 TS+ 0 0 77.7 9.0 -179.7 104.4 113.5 60.1 146 -2.5 0 0.0 0 0.0 0 0.0 9 35
197 A 197 HIS H e < T - 0 0 -116.8 161.0 167.0 -124.8 69.1 140.2 194 -2.4 148 -2.2 0 0.0 0 0.0 9 44
198 A 198 SER S E E Af - 148 0 -98.9 141.5 -171.6 -158.7 31.7 149.2 0 0.0 0 0.0 0 0.0 0 0.0 12 49
199 A 199 THR T E E Af - 149 0 -132.4 145.3 -176.2 -161.1 14.8 160.3 148 -2.2 150 -3.0 0 0.0 0 0.0 15 57
200 A 200 TYR Y E E AH - 166 0 -130.7 96.4 175.3 -168.2 10.1 155.4 166 -2.8 166 -2.2 0 0.0 0 0.0 17 54
201 A 201 PRO P E E AH + 165 0 -85.9 134.6 176.3 150.4 21.4 140.8 0 0.0 0 0.0 0 0.0 0 0.0 16 60
202 A 202 SER S E E AH - 164 0 -155.7 163.8 -177.4 -176.2 17.3 165.5 164 -2.2 164 -2.7 0 0.0 0 0.0 15 50
203 A 203 HIS H - 0 0 -160.8 148.6 170.1 -122.0 30.2 167.9 175 -2.1 205 -0.7 0 0.0 0 0.0 13 40
204 A 204 GLN Q 0 0 -95.6 111.1 -177.8 999.9 999.9 153.1 0 0.0 0 0.0 0 0.0 0 0.0 7 33
205 A 205 TYR Y 0 0 -85.4 999.9 999.9 999.9 999.9 45.9 203 -0.7 0 0.0 0 0.0 0 0.0 3 28
1hdoA.pdb
1HDO BILIVERDIN-IX BETA REDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEESTTSHHHHHHHHHHHHTT EEEEEES GGGS SSS SEEEES TTSHHHHHHHHTT SEEEE TT S HHHHHHHHHHHHHHH Kabs/Sand
chirality -+++---++++-++++++++++++-+-----+-+-+++--++----+---+--++-++++++++++-----+++---+++-+-++++++++++++++++ chirality
bends SS SSSSSSSSSSSSSSSS S SSSS SSS S S SSSSSSSSSSSSS S SS S SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >55 5-turns
3-turns >33< >33< >>3<< >33X33< >33< >33< >3 3-turns
bridge-2 bbbb cccc ddd bridge-2
bridge-1 aaaaa aaaaa cccc bbbb bridge-1
sheets AAAAA AAAAAA AAAA AAAA sheets
4-turns >>>>XXXXXX<<<< >>>>XX<<<< >>>>XXXXXXXXXX<< 4-turns
summary eEEEEEeTThHHHHHHHHHHHHhTtEEEEEESgGGGg SSS SEEEEetTThHHHHHHHHhTtSEEEEe tTTt S hHHHHHHHHHHHHHHH summary
sequence MAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAHVVVGDVLQAADVDKTVAGQDAVIVLLGTRNDLSPTTVMSEGARNIVAAMKA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HT EEEEE GGGTS TT S GGGHHHHHHHHHHHHHHHHT SEEEEE SEEE S EEESSS SS SEEEHHHHHHHHHHTTS STTTT EEE Kabs/Sand
chirality -++++---+--++++--+++--+++++++++++++++++++-+------------+--+-++--+-+-++---++--+++++++++++++-+++++---- chirality
bends S SSSSS SS S SSSSSSSSSSSSSSSSSSSS S SS S SSS SS S SSSSSSSSSSSSS SSSSS bends
turns TTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTT turns
5-turns 55< 5-turns
3-turns 3< >>3<< >33< >>3<< >>3<< >>3<< >3><3< 3-turns
bridge-2 eeeee ff bridge-2
bridge-1 ddd eeeee ggg HHH ggg ffH bridge-1
sheets AAAAA AAAAA BBB AAA BBB AAA sheets
4-turns << >444< >>>>XXXXXXXXXX<<<< >>>>XXXX<<<< 4-turns
summary HhteEEEEEegGGGgttTTtSgGGhHHHHHHHHHHHHHHHHhtSEEEEEe SEEE S EEESSS SS eEEEHHHHHHHHHHhTt tTTTTeEEE summary
sequence HGVDKVVACTSAFLLWDPTKVPPRLQAVTDDHIRMHKVLRESGLKYVAVMPPHIGDQPLTGAYTVTLDGRGPSRVISKHDLGHFMLRCLTTDEYDGHSTY sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE Kabs/Sand
chirality +-- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 HH bridge-1
sheets AA sheets
4-turns 4-turns
summary EE summary
sequence PSHQY sequence