Secondary structure calculation program - copyright by David Keith Smith, 1989
2occH.pdb
2OCC OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 79
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 H 7 LYS K 0 0 999.9 168.5 -178.7 999.9 999.9 999.9 0 0.0 3 -0.5 0 0.0 0 0.0 2 12
2 H 8 ILE I + 0 0 -104.5 122.7 178.5 176.9 999.9 145.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
3 H 9 LYS K S S S+ 0 0 -99.9 20.1 177.5 74.6 78.5 91.7 1 -0.5 0 0.0 0 0.0 0 0.0 7 23
4 H 10 ASN N + 0 0 -129.6 140.1 -178.7 136.5 65.2 167.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
5 H 11 TYR Y - 0 0 -161.7 -162.6 178.3 -97.8 57.8 146.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
6 H 12 GLN Q S S S- 0 0 -98.9 -58.8 178.9 -45.0 84.6 33.6 0 0.0 0 0.0 0 0.0 0 0.0 4 18
7 H 13 THR T S S S- 0 0 -168.1 163.0 178.7 -56.2 78.5 163.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
8 H 14 ALA A - 0 0 -50.0 119.7 -179.9 -134.9 64.2 106.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
9 H 15 PRO P - 0 0 -75.1 172.9 179.5 -68.9 33.4 102.5 0 0.0 0 0.0 0 0.0 0 0.0 4 28
10 H 16 PHE F - 0 0 -63.8 129.1 -179.4 -156.5 48.3 115.4 0 0.0 12 -0.6 0 0.0 0 0.0 5 26
11 H 17 ASP D t > T - 0 0 -114.5 110.0 -178.5 -154.4 10.9 155.1 0 0.0 14 -3.0 0 0.0 0 0.0 6 26
12 H 18 SER S T T 3 TS+ 0 0 -56.2 -14.7 178.8 68.2 93.3 51.5 10 -0.6 0 0.0 0 0.0 0 0.0 5 17
13 H 19 ARG R T T 3 TS+ 0 0 -76.4 -19.8 -178.9 33.9 110.9 45.8 0 0.0 0 0.0 0 0.0 0 0.0 4 19
14 H 20 PHE F S t < TS+ 0 0 -135.1 72.6 -179.1 152.1 72.9 125.1 11 -3.0 0 0.0 0 0.0 0 0.0 9 21
15 H 21 PRO P + 0 0 -84.4 -1.4 -177.3 77.7 48.1 62.0 0 0.0 0 0.0 0 0.0 0 0.0 7 16
16 H 22 ASN N S S S- 0 0 -107.4 178.8 -179.7 -93.6 93.3 117.6 0 0.0 0 0.0 0 0.0 0 0.0 5 14
17 H 23 GLN Q S S S+ 0 0 -59.5 -28.8 -179.6 83.5 103.5 41.7 0 0.0 19 -1.0 0 0.0 0 0.0 4 14
18 H 24 ASN N + 0 0 -83.9 106.6 -178.4 167.0 50.0 134.6 0 0.0 0 0.0 0 0.0 0 0.0 6 18
19 H 25 GLN Q h > > T + 0 0 -101.7 9.3 -180.0 112.5 39.4 71.1 17 -1.0 23 -1.7 0 0.0 22 -1.0 8 27
20 H 26 THR T H H > 3 TS+ 0 0 -49.7 -48.0 -179.7 45.6 79.3 31.1 0 0.0 24 -2.0 0 0.0 0 0.0 6 31
21 H 27 ARG R H H > 3 TS+ 0 0 -71.5 -23.2 179.8 63.8 104.1 40.2 0 0.0 25 -3.6 0 0.0 0 0.0 8 33
22 H 28 ASN N H H > < TS+ 0 0 -64.1 -48.6 177.7 41.1 108.5 15.3 19 -1.0 26 -2.0 0 0.0 0 0.0 10 36
23 H 29 CYS C H H X TS+ 0 0 -60.7 -53.0 -178.8 47.4 118.8 12.2 19 -1.7 27 -2.4 0 0.0 0 0.0 12 44
24 H 30 TRP W H H X TS+ 0 0 -56.6 -51.7 -179.6 47.7 111.7 24.0 20 -2.0 28 -1.8 0 0.0 0 0.0 10 42
25 H 31 GLN Q H H X > TS+ 0 0 -57.4 -54.7 -179.4 46.8 113.6 12.5 21 -3.6 29 -3.2 0 0.0 28 -0.9 8 42
26 H 32 ASN N H H X 3 TS+ 0 0 -59.1 -31.0 177.1 54.7 110.4 29.3 22 -2.0 30 -1.8 0 0.0 0 0.0 12 44
27 H 33 TYR Y H H X 3 TS+ 0 0 -69.3 -35.1 180.0 40.9 113.5 32.2 23 -2.4 31 -1.4 0 0.0 0 0.0 11 46
28 H 34 LEU L H H X < TS+ 0 0 -74.4 -52.9 -179.9 56.2 110.2 20.1 24 -1.8 32 -2.3 25 -0.9 0 0.0 11 40
29 H 35 ASP D H H X TS+ 0 0 -46.7 -40.1 179.3 52.6 107.1 31.2 25 -3.2 33 -2.4 0 0.0 0 0.0 9 39
30 H 36 PHE F H H X TS+ 0 0 -62.5 -63.5 -179.3 42.8 110.7 5.4 26 -1.8 34 -3.7 0 0.0 0 0.0 12 42
31 H 37 HIS H H H X TS+ 0 0 -57.3 -23.8 176.9 52.2 114.9 41.1 27 -1.4 35 -1.6 0 0.0 0 0.0 9 43
32 H 38 ARG R H H X TS+ 0 0 -75.8 -42.9 179.0 41.7 114.5 25.7 28 -2.3 36 -1.8 0 0.0 0 0.0 9 35
33 H 39 CYS C H H X TS+ 0 0 -69.8 -38.3 179.9 57.0 111.2 26.0 29 -2.4 37 -2.2 0 0.0 0 0.0 11 31
34 H 40 GLU E H H X TS+ 0 0 -59.4 -44.7 178.6 49.1 107.4 22.7 30 -3.7 38 -2.2 0 0.0 0 0.0 10 32
35 H 41 LYS K H H X TS+ 0 0 -57.6 -66.0 179.9 44.5 112.7 7.8 31 -1.6 39 -1.8 0 0.0 0 0.0 8 27
36 H 42 ALA A H H X > TS+ 0 0 -44.8 -58.0 179.8 43.4 118.3 24.6 32 -1.8 40 -3.1 0 0.0 39 -0.8 9 22
37 H 43 MET M H H < 3>TS+ 0 0 -60.2 -36.0 -179.4 44.1 118.6 32.4 33 -2.2 42 -2.1 0 0.0 0 0.0 11 22
38 H 44 THR T H H < 35TS+ 0 0 -85.6 -9.6 -179.4 42.2 120.9 52.8 34 -2.2 0 0.0 0 0.0 0 0.0 10 20
39 H 45 ALA A H H < <5TS+ 0 0 -100.3 -52.0 179.3 48.5 110.5 30.4 35 -1.8 0 0.0 36 -0.8 0 0.0 7 18
40 H 46 LYS K T h < 5TS- 0 0 -80.5 29.4 179.8 -103.5 119.1 87.7 36 -3.1 0 0.0 0 0.0 0 0.0 6 15
41 H 47 GLY G T T 5TS+ 0 0 51.1 41.3 -179.3 136.8 80.2 30.3 0 0.0 0 0.0 0 0.0 0 0.0 6 14
42 H 48 GLY G t T - 0 0 -90.6 113.2 179.8 -171.8 31.3 138.9 0 0.0 46 -0.9 0 0.0 0 0.0 7 20
44 H 50 VAL V G G > TS+ 0 0 -76.2 -18.5 179.7 78.4 76.7 43.7 42 -0.7 47 -1.4 0 0.0 0 0.0 10 24
45 H 51 SER S G G > TS+ 0 0 -66.5 -12.0 178.5 70.3 78.4 56.4 0 0.0 48 -0.7 0 0.0 0 0.0 5 28
46 H 52 VAL V G G X TS+ 0 0 -72.0 -29.3 179.5 56.2 95.4 30.6 43 -0.9 49 -0.6 0 0.0 0 0.0 7 29
47 H 53 CYS C G h > < TS+ 0 0 -77.1 -4.4 -177.2 94.4 81.0 63.6 44 -1.4 51 -1.1 0 0.0 0 0.0 10 35
48 H 54 GLU E H H > < TS+ 0 0 -57.9 -46.2 179.2 60.9 74.6 25.9 45 -0.7 52 -1.9 0 0.0 0 0.0 10 34
49 H 55 TRP W H H > < TS+ 0 0 -45.8 -55.7 179.8 49.3 103.5 24.1 46 -0.6 53 -2.4 0 0.0 0 0.0 8 38
50 H 56 TYR Y H H > TS+ 0 0 -56.5 -37.2 -179.3 52.6 109.1 33.3 0 0.0 54 -3.0 0 0.0 0 0.0 11 42
51 H 57 ARG R H H X TS+ 0 0 -70.6 -35.1 179.2 49.8 108.8 32.1 47 -1.1 55 -1.5 0 0.0 0 0.0 11 43
52 H 58 ARG R H H X TS+ 0 0 -65.0 -53.8 179.4 44.4 114.9 8.1 48 -1.9 56 -2.3 0 0.0 0 0.0 11 40
53 H 59 VAL V H H X TS+ 0 0 -55.8 -53.6 -179.1 44.7 115.7 21.6 49 -2.4 57 -2.4 0 0.0 0 0.0 12 42
54 H 60 TYR Y H H X TS+ 0 0 -65.1 -28.0 179.7 53.7 112.6 34.1 50 -3.0 58 -2.4 0 0.0 0 0.0 14 45
55 H 61 LYS K H H < TS+ 0 0 -70.1 -39.3 178.2 47.3 110.1 29.0 51 -1.5 0 0.0 0 0.0 0 0.0 8 40
56 H 62 SER S H H < TS+ 0 0 -63.6 -51.1 -176.3 31.6 123.4 18.6 52 -2.3 0 0.0 0 0.0 0 0.0 8 35
57 H 63 LEU L H H < TS+ 0 0 -81.8 -36.0 -175.9 86.9 98.3 37.0 53 -2.4 0 0.0 0 0.0 0 0.0 9 37
58 H 64 CYS C S h < TS- 0 0 -77.5 134.5 179.4 -119.4 77.9 119.1 54 -2.4 0 0.0 0 0.0 0 0.0 10 33
59 H 65 PRO P h > > T - 0 0 -66.0 146.6 178.8 -119.0 26.3 117.9 0 0.0 63 -1.9 0 0.0 62 -0.8 7 27
60 H 66 ILE I H H > 3 TS+ 0 0 -52.4 -43.9 179.3 56.5 111.8 28.5 0 0.0 64 -3.1 0 0.0 0 0.0 6 21
61 H 67 SER S H H > 3 TS+ 0 0 -59.6 -34.8 -179.3 48.2 107.3 37.1 0 0.0 65 -1.9 0 0.0 0 0.0 6 19
62 H 68 TRP W H H > < TS+ 0 0 -72.6 -48.6 179.3 46.8 112.6 19.5 59 -0.8 66 -2.8 0 0.0 0 0.0 8 30
63 H 69 VAL V H H X TS+ 0 0 -58.9 -47.9 177.3 50.1 113.9 17.3 59 -1.9 67 -2.7 0 0.0 0 0.0 9 36
64 H 70 SER S H H X TS+ 0 0 -56.4 -51.5 -179.9 43.1 113.7 24.4 60 -3.1 68 -2.7 0 0.0 0 0.0 8 26
65 H 71 THR T H H X TS+ 0 0 -64.8 -40.4 178.2 50.7 114.1 25.5 61 -1.9 69 -1.8 0 0.0 0 0.0 8 24
66 H 72 TRP W H H X TS+ 0 0 -63.5 -40.4 177.7 47.3 112.6 23.3 62 -2.8 70 -2.3 0 0.0 0 0.0 9 36
67 H 73 ASP D H H X TS+ 0 0 -64.0 -47.4 178.1 51.1 110.8 18.8 63 -2.7 71 -2.1 0 0.0 0 0.0 8 34
68 H 74 ASP D H H X TS+ 0 0 -57.2 -35.0 -179.7 47.5 113.4 33.7 64 -2.7 72 -1.5 0 0.0 0 0.0 8 19
69 H 75 ARG R H H X >TS+ 0 0 -76.9 -38.0 177.7 54.3 105.7 31.1 65 -1.8 73 -1.4 0 0.0 74 -1.4 10 21
70 H 76 ARG R H H < 5TS+ 0 0 -62.2 -35.3 178.6 45.4 113.7 26.5 66 -2.3 0 0.0 0 0.0 0 0.0 9 26
71 H 77 ALA A H H < 5TS+ 0 0 -71.7 -40.1 179.1 49.9 113.0 29.9 67 -2.1 0 0.0 0 0.0 0 0.0 7 18
72 H 78 GLU E H H < 5TS- 0 0 -73.3 -18.0 179.4 -118.5 112.8 50.7 68 -1.5 0 0.0 0 0.0 0 0.0 7 14
73 H 79 GLY G T h < 5TS+ 0 0 90.8 2.8 -178.8 102.8 90.0 64.3 69 -1.4 0 0.0 0 0.0 0 0.0 6 15
74 H 80 THR T t 5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >>>X<<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXX<<<< >>>>XXXX<<<<>>>>XXXXXXX<<<< 4-turns
summary S SS tTTt SS hHHHHHHHHHHHHHHHHHHHHhTtgGGGhHHHHHHHHHHhhHHHHHHHHHHHHHht S summary
sequence KIKNYQTAPFDSRFPNQNQTRNCWQNYLDFHRCEKAMTAKGGDVSVCEWYRRVYKSLCPISWVSTWDDRRAEGTFPGKI sequence
10 20 30 40 50 60 70