Secondary structure calculation program - copyright by David Keith Smith, 1989
1df7A.pdb
1DF7 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 159
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 e 0 0 999.9 118.8 176.6 999.9 999.9 999.9 0 0.0 91 -2.5 0 0.0 0 0.0 8 33
2 A 2 VAL V E E Aa - 91 0 -111.6 124.0 177.3 -177.0 999.9 162.9 0 0.0 108 -2.4 0 0.0 109 -1.1 13 45
3 A 3 GLY G E E Aab - 92 109 -119.0 156.2 176.5 -143.2 17.5 150.9 91 -3.3 93 -3.1 0 0.0 0 0.0 13 56
4 A 4 LEU L E E Aab - 93 110 -114.4 139.9 176.9 -171.4 15.5 162.7 109 -2.3 111 -2.2 0 0.0 0 0.0 15 66
5 A 5 ILE I E E A b + 0 111 -132.5 128.3 -180.0 144.5 18.7 176.4 93 -2.3 0 0.0 0 0.0 0 0.0 12 66
6 A 6 TRP W E E A b - 0 112 -154.6 164.5 177.4 -132.0 39.8 170.2 111 -1.9 113 -1.9 0 0.0 0 0.0 11 68
7 A 7 ALA A E E A b - 0 113 -121.8 126.1 179.0 -179.2 32.8 169.8 0 0.0 0 0.0 0 0.0 0 0.0 10 63
8 A 8 GLN Q E E A b - 0 114 -129.6 150.9 172.9 -119.6 30.5 163.1 113 -3.0 115 -3.2 0 0.0 0 0.0 14 56
9 A 9 ALA A E E A b> T - 0 115 -71.8 161.2 179.3 -99.7 48.3 114.8 13 -2.5 12 -2.2 0 0.0 0 0.0 13 43
10 A 10 THR T T e 3 TS+ 0 0 -54.2 -35.1 179.3 61.2 124.8 27.3 115 -1.4 0 0.0 117 -0.5 0 0.0 11 38
11 A 11 SER S T T 3 TS- 0 0 -66.8 -13.4 -177.3 -104.0 121.9 53.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
12 A 12 GLY G S e < TS+ 0 0 104.3 -9.4 178.7 142.1 73.7 74.0 9 -2.2 128 -2.7 0 0.0 0 0.0 10 42
13 A 13 VAL V E E BC + 127 0 -68.3 129.2 176.9 162.3 14.2 118.4 0 0.0 9 -2.5 0 0.0 0 0.0 15 42
14 A 14 ILE I E E B* + 0 0 -119.3 -17.5 -178.8 19.0 64.1 58.2 126 -2.5 0 0.0 0 0.0 0 0.0 15 55
15 A 15 GLY G E E BC + 126 0 -157.6 150.1 -179.7 179.1 52.1 176.9 126 -1.6 126 -2.3 0 0.0 0 0.0 12 50
16 A 16 ARG R B B A > TS- 19 0 -154.5 129.0 179.7 -0.7 76.0 162.0 19 -2.8 19 -1.7 0 0.0 0 0.0 11 34
17 A 17 GLY G T T 3 TS- 0 0 61.8 27.7 179.7 -57.9 129.9 37.4 0 0.0 0 0.0 0 0.0 0 0.0 5 24
18 A 18 GLY G T T 3 TS+ 0 0 82.4 5.6 -179.0 83.8 121.5 60.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
19 A 19 ASP D B B A < TS- 16 0 -133.1 170.1 176.7 -97.1 87.4 147.2 16 -1.7 16 -2.8 0 0.0 0 0.0 7 36
20 A 20 ILE I - 0 0 -89.5 119.2 -178.9 -135.9 38.4 143.8 0 0.0 22 -1.2 0 0.0 0 0.0 8 46
21 A 21 PRO P S S S+ 0 0 -73.3 39.9 177.0 44.3 75.9 96.6 0 0.0 0 0.0 0 0.0 0 0.0 7 42
22 A 22 TRP W S S S- 0 0 -166.9 166.5 179.2 -120.6 75.0 164.0 20 -1.2 0 0.0 0 0.0 0 0.0 4 40
23 A 23 ARG R + 0 0 -121.2 122.7 -178.2 152.1 39.1 171.9 0 0.0 0 0.0 0 0.0 0 0.0 6 36
24 A 24 LEU L h > > T + 0 0 -153.6 80.0 -179.7 178.9 14.5 126.2 0 0.0 27 -1.2 0 0.0 28 -1.1 10 37
25 A 25 PRO P H H > 3 TS+ 0 0 -55.3 -32.6 178.7 63.5 81.0 34.7 0 0.0 29 -1.8 0 0.0 0 0.0 7 31
26 A 26 GLU E H H > 3 TS+ 0 0 -63.4 -32.6 178.1 54.4 99.7 35.3 0 0.0 30 -1.8 0 0.0 0 0.0 7 32
27 A 27 ASP D H H > < TS+ 0 0 -69.9 -32.8 177.5 53.4 105.0 31.0 24 -1.2 31 -2.6 0 0.0 0 0.0 9 44
28 A 28 GLN Q H H X TS+ 0 0 -67.2 -34.8 178.8 50.9 107.4 26.8 24 -1.1 32 -2.4 0 0.0 0 0.0 8 40
29 A 29 ALA A H H X TS+ 0 0 -66.1 -43.9 179.1 48.3 111.1 23.4 25 -1.8 33 -2.6 0 0.0 0 0.0 8 29
30 A 30 HIS H H H X TS+ 0 0 -60.6 -45.7 179.1 53.0 109.5 24.0 26 -1.8 34 -2.5 0 0.0 0 0.0 8 35
31 A 31 PHE F H H X TS+ 0 0 -56.1 -46.9 179.6 47.5 110.6 19.9 27 -2.6 35 -2.9 0 0.0 0 0.0 9 47
32 A 32 ARG R H H X TS+ 0 0 -60.9 -47.0 179.1 52.7 110.1 22.5 28 -2.4 36 -2.7 0 0.0 0 0.0 8 38
33 A 33 GLU E H H < TS+ 0 0 -57.1 -43.2 -178.6 42.0 114.5 29.2 29 -2.6 0 0.0 0 0.0 0 0.0 7 31
34 A 34 ILE I H H < TS+ 0 0 -73.2 -45.6 -175.0 35.1 122.9 17.7 30 -2.5 0 0.0 0 0.0 0 0.0 6 41
35 A 35 THR T H H < > TS+ 0 0 -85.0 -21.9 -176.8 118.8 82.4 44.9 31 -2.9 38 -2.0 0 0.0 0 0.0 11 43
36 A 36 MET M T h < 3 TS+ 0 0 -51.7 136.8 -179.8 14.6 82.7 95.8 32 -2.7 0 0.0 0 0.0 0 0.0 8 32
37 A 37 GLY G T T 3 TS+ 0 0 78.4 4.1 -178.1 93.4 112.0 63.4 59 -1.7 0 0.0 0 0.0 0 0.0 7 25
38 A 38 HIS H S e < TS- 0 0 -122.7 177.1 177.0 -90.5 82.9 127.4 35 -2.0 61 -1.5 0 0.0 0 0.0 11 36
39 A 39 THR T E E Ade - 61 91 -86.6 135.3 176.3 -159.7 39.7 136.4 90 -1.5 92 -2.3 0 0.0 0 0.0 13 46
40 A 40 ILE I E E Ade - 62 92 -117.6 140.3 -179.8 -159.0 2.2 163.4 61 -2.9 63 -2.2 0 0.0 0 0.0 13 62
41 A 41 VAL V E E Ade + 63 93 -119.1 132.0 179.4 165.0 18.3 165.9 92 -2.4 94 -2.7 0 0.0 0 0.0 15 70
42 A 42 MET M E E Ad - 64 0 -145.3 156.5 176.4 -107.5 36.6 169.9 63 -2.4 65 -2.7 0 0.0 0 0.0 15 64
43 A 43 GLY G E E >Ad T - 65 0 -75.5 161.8 -178.0 -104.9 42.5 111.3 95 -2.1 47 -2.1 0 0.0 0 0.0 13 59
44 A 44 ARG R H H > TS+ 0 0 -59.4 -36.2 179.7 54.4 119.8 31.1 65 -1.3 48 -2.6 0 0.0 0 0.0 9 48
45 A 45 ARG R H H > TS+ 0 0 -66.3 -38.7 177.8 51.1 106.9 27.1 0 0.0 49 -1.9 0 0.0 0 0.0 8 46
46 A 46 THR T H H > TS+ 0 0 -63.1 -41.0 177.1 52.1 108.8 22.7 0 0.0 50 -0.6 0 0.0 0 0.0 10 53
47 A 47 TRP W H H < > TS+ 0 0 -56.4 -52.1 179.3 50.0 109.0 16.9 43 -2.1 50 -1.8 0 0.0 0 0.0 10 50
48 A 48 ASP D H H < 3 TS+ 0 0 -54.7 -37.1 -179.5 57.2 106.5 31.9 44 -2.6 0 0.0 0 0.0 0 0.0 7 40
49 A 49 SER S H H < 3 TS+ 0 0 -72.5 -14.8 -179.5 105.4 81.3 54.8 45 -1.9 0 0.0 0 0.0 0 0.0 8 33
50 A 50 LEU L S h < < TS- 0 0 -67.7 137.0 178.8 -108.1 84.0 116.9 47 -1.8 0 0.0 46 -0.6 0 0.0 9 37
51 A 51 PRO P g > T - 0 0 -63.7 145.4 -179.5 -116.0 30.1 117.8 0 0.0 54 -2.0 0 0.0 0 0.0 7 23
52 A 52 ALA A G G > TS+ 0 0 -51.0 -34.0 -179.2 64.5 111.8 36.9 0 0.0 55 -1.4 0 0.0 0 0.0 6 19
53 A 53 LYS K G G 3 TS+ 0 0 -68.6 -17.1 177.7 32.4 113.4 44.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
54 A 54 VAL V G G < TS+ 0 0 -128.4 34.0 177.9 135.5 85.2 95.8 51 -2.0 0 0.0 0 0.0 0 0.0 8 30
55 A 55 ARG R S g < TS+ 0 0 -123.4 104.2 0.1 29.7 80.6 160.0 52 -1.4 0 0.0 0 0.0 0 0.0 10 33
56 A 56 PRO P S S S- 0 0 -73.6 161.3 178.3 -121.8 109.1 56.4 0 0.0 0 0.0 0 0.0 0 0.0 11 39
57 A 57 LEU L t > T - 0 0 -71.2 125.3 -179.2 -115.5 36.1 126.2 0 0.0 60 -1.0 0 0.0 0 0.0 7 43
58 A 58 PRO P T T 3 TS+ 0 0 -67.5 146.8 178.1 20.7 90.0 107.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
59 A 59 GLY G T T 3 TS+ 0 0 77.2 9.7 -179.4 89.1 107.8 56.8 0 0.0 37 -1.7 0 0.0 0 0.0 7 26
60 A 60 ARG R S t < TS- 0 0 -137.0 148.8 177.0 -114.4 82.3 163.0 57 -1.0 62 -0.9 0 0.0 0 0.0 11 36
61 A 61 ARG R E E Ad - 39 0 -84.3 110.4 -177.9 -147.2 38.9 143.1 38 -1.5 40 -2.9 0 0.0 0 0.0 10 40
62 A 62 ASN N E E Ad - 40 0 -86.0 127.0 179.0 -175.4 17.7 136.1 60 -0.9 77 -3.0 0 0.0 0 0.0 13 50
63 A 63 VAL V E E Adf - 41 77 -124.6 128.5 -177.1 -165.1 4.5 169.7 40 -2.2 42 -2.4 0 0.0 0 0.0 13 59
64 A 64 VAL V E E Adf - 42 78 -121.1 124.3 178.9 -144.1 10.8 164.5 77 -2.8 79 -2.4 0 0.0 0 0.0 15 55
65 A 65 LEU L E E Adf + 43 79 -86.5 131.7 178.2 155.8 32.3 139.6 42 -2.7 44 -1.3 0 0.0 0 0.0 14 51
66 A 66 SER S e - 0 0 -153.0 148.1 177.9 -147.8 43.4 171.2 79 -2.4 0 0.0 0 0.0 0 0.0 11 36
67 A 67 ARG R S S S+ 0 0 -91.6 -8.7 179.8 109.2 71.0 57.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
68 A 68 GLN Q S t > TS- 0 0 -77.4 131.2 -179.6 -127.6 73.2 125.2 0 0.0 71 -1.3 0 0.0 0 0.0 6 20
69 A 69 ALA A T T 3 TS+ 0 0 -34.4 -76.1 180.0 5.5 98.4 34.1 0 0.0 0 0.0 0 0.0 0 0.0 4 15
70 A 70 ASP D T T 3 TS+ 0 0 -116.8 66.7 177.0 174.4 80.6 132.3 0 0.0 0 0.0 0 0.0 0 0.0 4 18
71 A 71 PHE F t < T - 0 0 -69.6 141.4 179.7 -130.5 30.1 128.8 68 -1.3 73 -0.6 0 0.0 0 0.0 7 25
72 A 72 MET M + 0 0 -106.0 118.0 179.4 158.6 39.6 151.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
73 A 73 ALA A t > T - 0 0 -133.6 95.2 -178.6 -145.3 30.6 149.1 71 -0.6 76 -1.8 0 0.0 0 0.0 8 37
74 A 74 SER S T T 3 TS+ 0 0 -66.6 127.3 -179.8 14.6 84.7 115.5 0 0.0 0 0.0 0 0.0 0 0.0 5 28
75 A 75 GLY G T T 3 TS+ 0 0 88.0 7.4 179.8 89.2 115.1 57.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
76 A 76 ALA A S t < TS- 0 0 -135.4 158.4 177.8 -117.5 77.7 155.9 73 -1.8 78 -0.6 0 0.0 0 0.0 10 40
77 A 77 GLU E E E Af - 63 0 -95.7 116.7 178.4 -150.8 27.0 151.4 62 -3.0 64 -2.8 0 0.0 0 0.0 9 44
78 A 78 VAL V E E Af + 64 0 -90.1 128.8 178.6 177.1 20.7 139.8 76 -0.6 0 0.0 0 0.0 0 0.0 11 39
79 A 79 VAL V E E Af - 65 0 -127.8 158.9 -177.2 -147.1 27.9 155.0 64 -2.4 66 -2.4 0 0.0 0 0.0 11 37
80 A 80 GLY G S S S+ 0 0 -108.4 2.0 179.7 36.2 76.6 66.9 0 0.0 0 0.0 0 0.0 0 0.0 10 31
81 A 81 SER S S h > TS- 0 0 -149.7 160.5 179.9 -117.2 75.9 167.7 0 0.0 85 -1.3 0 0.0 0 0.0 9 32
82 A 82 LEU L H H > TS+ 0 0 -66.1 -38.4 179.0 61.6 112.2 30.6 0 0.0 86 -3.1 0 0.0 0 0.0 10 44
83 A 83 GLU E H H 4 TS+ 0 0 -55.9 -42.7 179.8 43.4 107.0 27.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
84 A 84 GLU E H H 4 > TS+ 0 0 -73.2 -29.2 -179.7 49.3 117.1 37.7 0 0.0 87 -0.5 0 0.0 0 0.0 8 33
85 A 85 ALA A H H < > TS+ 0 0 -76.2 -41.5 -176.6 52.1 107.0 27.9 81 -1.3 88 -0.5 0 0.0 0 0.0 13 46
86 A 86 LEU L T h < 3 TS+ 0 0 -91.0 32.0 -178.1 109.2 73.4 89.4 82 -3.1 0 0.0 0 0.0 0 0.0 9 45
87 A 87 THR T T T < T + 0 0 -78.5 -30.2 179.9 93.3 52.1 37.3 84 -0.5 0 0.0 0 0.0 0 0.0 7 32
88 A 88 SER S S t < TS- 0 0 -68.1 143.0 179.2 -130.6 76.3 111.8 85 -0.5 0 0.0 0 0.0 0 0.0 7 34
89 A 89 PRO P S S S+ 0 0 -62.1 -28.1 178.1 38.3 103.0 46.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
90 A 90 GLU E S e S+ 0 0 -131.5 88.5 -179.4 162.8 80.9 142.2 0 0.0 39 -1.5 0 0.0 0 0.0 9 34
91 A 91 THR T E E Aae - 2 39 -112.2 134.6 177.1 -160.8 23.2 157.3 1 -2.5 3 -3.3 0 0.0 93 -0.5 14 51
92 A 92 TRP W E E Aae - 3 40 -114.8 120.2 177.7 -149.1 11.1 165.2 39 -2.3 41 -2.4 0 0.0 94 -0.6 13 59
93 A 93 VAL V E E Aae - 4 41 -86.8 120.2 -174.4 -175.3 15.3 144.0 3 -3.1 5 -2.3 91 -0.5 0 0.0 14 65
94 A 94 ILE I e - 0 0 -110.1 14.9 171.4 -168.9 38.2 77.5 41 -2.7 0 0.0 92 -0.6 0 0.0 11 73
95 A 95 GLY G - 0 0 134.1 -179.4 -6.9 -132.7 53.9 125.1 0 0.0 43 -2.1 0 0.0 0 0.0 14 62
96 A 96 GLY G h > T - 0 0 -99.4 -142.0 179.7 -101.2 53.0 66.0 0 0.0 100 -2.6 0 0.0 0 0.0 11 53
97 A 97 GLY G H H > TS+ 0 0 -53.1 -46.0 -179.9 45.7 120.6 25.5 0 0.0 101 -1.7 0 0.0 0 0.0 12 51
98 A 98 GLN Q H H > TS+ 0 0 -64.4 -48.6 -177.9 46.2 114.6 23.7 0 0.0 102 -2.2 0 0.0 0 0.0 9 43
99 A 99 VAL V H H > TS+ 0 0 -66.9 -34.1 176.8 54.4 108.9 34.2 0 0.0 103 -2.8 0 0.0 0 0.0 11 52
100 A 100 TYR Y H H X TS+ 0 0 -62.6 -43.1 180.0 48.2 110.6 23.7 96 -2.6 104 -2.1 0 0.0 0 0.0 14 53
101 A 101 ALA A H H < TS+ 0 0 -61.4 -45.8 -179.5 45.6 114.6 21.3 97 -1.7 0 0.0 0 0.0 0 0.0 8 42
102 A 102 LEU L H H < TS+ 0 0 -63.6 -46.1 -176.3 40.1 119.2 25.1 98 -2.2 0 0.0 0 0.0 0 0.0 8 42
103 A 103 ALA A H H X > TS+ 0 0 -82.3 -19.7 -177.5 89.9 88.0 48.3 99 -2.8 106 -1.9 0 0.0 107 -0.7 11 48
104 A 104 LEU L G h < > TS+ 0 0 -47.2 -49.6 -179.7 56.1 84.2 29.2 100 -2.1 107 -1.9 0 0.0 0 0.0 9 47
105 A 105 PRO P G G 4 3 TS+ 0 0 -58.1 -23.4 -180.0 49.7 108.0 41.1 0 0.0 0 0.0 0 0.0 0 0.0 5 35
106 A 106 TYR Y G G 4 < TS+ 0 0 -89.7 -6.5 -175.3 102.4 96.4 53.9 103 -1.9 0 0.0 0 0.0 0 0.0 6 40
107 A 107 ALA A g < < T + 0 0 -88.6 147.0 176.7 172.1 37.6 119.2 104 -1.9 0 0.0 103 -0.7 0 0.0 11 47
108 A 108 THR T S e S+ 0 0 -122.7 -3.7 177.7 42.7 73.9 65.2 2 -2.4 158 -1.7 0 0.0 0 0.0 10 38
109 A 109 ARG R E E AbG - 3 157 -144.4 142.0 172.3 -172.4 55.0 174.5 2 -1.1 4 -2.3 0 0.0 0 0.0 12 46
110 A 110 CYS C E E AbG - 4 156 -132.3 136.1 177.3 -163.2 7.1 173.7 156 -2.0 156 -3.2 0 0.0 112 -0.6 12 57
111 A 111 GLU E E E AbG - 5 155 -119.4 104.0 -175.3 -174.7 22.9 166.5 4 -2.2 6 -1.9 0 0.0 0 0.0 12 55
112 A 112 VAL V E E AbG - 6 154 -112.2 137.6 176.9 -160.7 21.9 150.3 154 -2.5 154 -3.0 110 -0.6 114 -0.6 12 62
113 A 113 THR T E E AbG - 7 153 -111.4 117.6 176.2 -155.0 14.6 168.5 6 -1.9 8 -3.0 0 0.0 115 -0.5 12 60
114 A 114 GLU E E E AbG - 8 152 -95.1 129.2 179.7 -155.3 4.8 152.7 152 -3.3 152 -1.9 112 -0.6 116 -0.6 12 55
115 A 115 VAL V E E AbG - 9 151 -106.7 119.8 -179.4 -139.8 12.1 156.0 8 -3.2 117 -1.9 113 -0.5 10 -1.4 12 49
116 A 116 ASP D e + 0 0 -79.0 71.4 -178.3 129.1 56.2 118.5 150 -2.9 0 0.0 114 -0.6 0 0.0 9 39
117 A 117 ILE I - 0 0 -128.9 137.0 178.7 -116.8 65.5 161.7 115 -1.9 119 -1.0 0 0.0 10 -0.5 8 32
118 A 118 GLY G + 0 0 -76.4 106.9 -178.3 147.2 54.4 135.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
119 A 119 LEU L - 0 0 -145.7 79.1 179.8 -156.3 32.6 126.7 117 -1.0 0 0.0 0 0.0 0 0.0 8 33
120 A 120 PRO P - 0 0 -54.7 141.2 179.8 -96.1 35.5 103.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
121 A 121 ARG R - 0 0 -62.6 142.0 176.9 -163.7 41.3 106.2 0 0.0 0 0.0 0 0.0 0 0.0 8 28
122 A 122 GLU E t > T - 0 0 -125.0 149.8 -178.6 -84.0 34.7 162.8 0 0.0 125 -2.0 0 0.0 0 0.0 5 25
123 A 123 ALA A T T 3 TS+ 0 0 -55.2 133.5 178.8 23.1 115.3 104.2 0 0.0 0 0.0 0 0.0 0 0.0 4 18
124 A 124 GLY G T T 3 TS+ 0 0 93.6 -6.2 -179.7 140.9 87.8 66.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
125 A 125 ASP D t < T - 0 0 -66.6 151.5 174.0 -117.7 57.3 109.1 122 -2.0 0 0.0 0 0.0 0 0.0 11 35
126 A 126 ALA A E E BC - 15 0 -87.0 137.5 -177.6 -160.2 41.1 140.8 15 -2.3 14 -2.5 0 0.0 15 -1.6 11 43
127 A 127 LEU L E E BC - 13 0 -124.4 155.4 178.4 -108.1 18.3 155.9 0 0.0 0 0.0 0 0.0 0 0.0 10 48
128 A 128 ALA A e - 0 0 -74.9 151.0 178.6 -103.3 43.4 109.7 12 -2.7 0 0.0 0 0.0 0 0.0 11 53
129 A 129 PRO P - 0 0 -71.1 152.2 179.4 -117.1 37.3 113.7 0 0.0 131 -0.5 0 0.0 0 0.0 9 48
130 A 130 VAL V - 0 0 -98.8 127.6 -178.2 -136.6 23.6 152.9 0 0.0 0 0.0 0 0.0 0 0.0 4 43
131 A 131 LEU L - 0 0 -86.2 122.9 -179.9 -161.7 19.5 138.0 129 -0.5 0 0.0 0 0.0 0 0.0 6 41
132 A 132 ASP D t > T - 0 0 -88.7 -165.2 -176.8 -75.6 42.3 98.9 0 0.0 135 -1.5 0 0.0 0 0.0 5 21
133 A 133 GLU E T T 3 TS+ 0 0 -78.5 0.8 177.0 82.1 114.7 63.1 0 0.0 0 0.0 0 0.0 0 0.0 5 19
134 A 134 THR T T T 3 TS+ 0 0 -73.6 -13.9 -178.0 83.5 84.9 41.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
135 A 135 TRP W t < T - 0 0 -97.5 136.3 175.6 -160.0 62.9 133.8 132 -1.5 0 0.0 0 0.0 0 0.0 9 27
136 A 136 ARG R E E AH - 157 0 -107.1 132.7 -179.0 -164.8 23.2 158.4 157 -2.8 157 -2.2 0 0.0 0 0.0 8 24
137 A 137 GLY G E E AH - 156 0 -126.3 157.6 178.7 -158.2 23.2 147.7 0 0.0 0 0.0 0 0.0 0 0.0 8 29
138 A 138 GLU E E E AH - 155 0 -129.5 121.9 -179.2 -146.1 21.8 177.0 155 -1.4 155 -1.9 0 0.0 0 0.0 7 23
139 A 139 THR T E E AH - 154 0 -97.7 128.9 178.9 -145.5 9.2 145.3 0 0.0 0 0.0 0 0.0 0 0.0 8 26
140 A 140 GLY G e - 0 0 -84.0 170.2 -179.7 -86.2 30.8 105.9 153 -3.1 0 0.0 0 0.0 0 0.0 7 25
141 A 141 GLU E - 0 0 -79.2 143.2 178.0 -100.7 47.3 123.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
142 A 142 TRP W - 0 0 -59.1 144.3 179.0 -171.1 43.7 107.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
143 A 143 ARG R E E AI - 151 0 -135.0 157.0 176.8 -125.8 20.2 157.0 151 -2.8 151 -2.5 0 0.0 0 0.0 7 26
144 A 144 PHE F E E AI - 150 0 -105.4 133.5 177.8 -148.5 22.3 155.7 0 0.0 0 0.0 0 0.0 0 0.0 9 24
145 A 145 SER S e > T - 0 0 -93.6 163.0 177.8 -108.2 30.2 127.1 149 -2.2 148 -2.2 0 0.0 0 0.0 11 27
146 A 146 ARG R T T 3 TS+ 0 0 -58.8 -27.0 179.4 66.1 120.3 36.8 0 0.0 0 0.0 0 0.0 0 0.0 6 20
147 A 147 SER S T T 3 TS- 0 0 -72.5 -5.1 179.9 -112.0 119.4 56.7 0 0.0 0 0.0 0 0.0 0 0.0 7 19
148 A 148 GLY G S t < TS+ 0 0 92.6 -8.2 -179.1 129.5 76.2 74.8 145 -2.2 0 0.0 0 0.0 0 0.0 6 21
149 A 149 LEU L e - 0 0 -82.0 135.5 174.6 -134.0 55.1 122.3 0 0.0 145 -2.2 0 0.0 0 0.0 11 31
150 A 150 ARG R E E A I + 0 144 -83.7 147.2 178.8 167.8 35.6 136.0 0 0.0 116 -2.9 0 0.0 0 0.0 11 33
151 A 151 TYR Y E E AGI - 115 143 -153.2 158.4 177.1 -166.0 17.7 167.7 143 -2.5 143 -2.8 0 0.0 0 0.0 12 43
152 A 152 ARG R E E AG - 114 0 -147.6 155.0 -179.2 -123.6 18.5 171.8 114 -1.9 114 -3.3 0 0.0 0 0.0 12 40
153 A 153 LEU L E E AG - 113 0 -102.4 144.7 177.2 -166.4 18.3 139.7 0 0.0 140 -3.1 0 0.0 0 0.0 12 43
154 A 154 TYR Y E E AGH - 112 139 -126.8 140.1 177.1 -160.9 4.6 169.5 112 -3.0 112 -2.5 0 0.0 156 -0.5 13 43
155 A 155 SER S E E AGH - 111 138 -124.2 117.8 -179.7 -175.5 15.2 171.1 138 -1.9 138 -1.4 0 0.0 0 0.0 11 40
156 A 156 TYR Y E E AGH + 110 137 -114.8 151.3 178.4 175.9 3.8 151.1 110 -3.2 110 -2.0 154 -0.5 0 0.0 12 40
157 A 157 HIS H E E AGH - 109 136 -148.9 161.5 176.7 -179.7 13.6 162.2 136 -2.2 136 -2.8 0 0.0 0 0.0 10 31
158 A 158 ARG R e 0 0 -158.8 141.0 -178.1 999.9 999.9 158.0 108 -1.7 0 0.0 0 0.0 0 0.0 8 25
159 A 159 SER S 0 0 -91.7 999.9 999.9 999.9 999.9 43.6 0 0.0 0 0.0 0 0.0 0 0.0 3 20
1df7A.pdb
1DF7 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEETTSEEEBTTB SS HHHHHHHHHHHTTSEEEEEHHHHHHS GGGSS TTSEEEEE SSTT TTSEEESSHHHHTTSSSEEE HHHH Kabs/Sand
chirality ---+----+-++++--+--+-+++++++++++++++---+--++++++--++++--++-----+-+-++-+-++--+-+-++++++-++------++++ chirality
bends SSS SSSS SS SSSSSSSSSSSSSS SSSSSSS SSSSS SSS SSSS SSS SSSSSSS SSS SSSS bends
turns TTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTT TTTT TTTT TTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33<>>3<< >33< >33< >33< >>3<< 3-turns
bridge-2 bbbbbbb eee fff eee bridge-2
bridge-1 aaa C*CA A ddddd ddddd fff aaa bridge-1
sheets AAAAAAAA BBB AAAAA AAAAA AAA AAA sheets
4-turns >>>>XXXXX<<<< >>>><<<< >>44<< >>>>X 4-turns
summary eEEEEEEEEeTeEEEBTTB SS hHHHHHHHHHHHhTeEEEEEHHHHHHhgGGGgStTTtEEEEEeStTTt tTTtEEEShHHHHhTtSeEEEe hHHHH summary
sequence MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVY sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHGGG SEEEEEEE TT EE TT EEEE EE TTS EEEEEEEE Kabs/Sand
chirality ++++++++-------+-+----++--------++-----------+-+-+-----+- chirality
bends SSSSSS S SS SS SSS bends
turns TTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33< >33< 3-turns
bridge-2 GGGGGGG II HHHH bridge-2
bridge-1 bbbbbbb CC HHHH II GGGGGGG bridge-1
sheets AAAAAAA BB AAAA AA AAAAAAAA sheets
4-turns <