Secondary structure calculation program - copyright by David Keith Smith, 1989
1cnoA.pdb
1CNO ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 86
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 ALA A 0 0 999.9 107.6 177.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
2 A 2 GLY G - 0 0 -125.5 146.0 179.3 -121.5 999.9 161.6 0 0.0 4 -0.7 0 0.0 0 0.0 11 34
3 A 3 ASP D h > T - 0 0 -92.2 114.4 179.8 -158.9 16.4 147.8 0 0.0 7 -2.7 0 0.0 0 0.0 11 29
4 A 4 ILE I H H > TS+ 0 0 -56.3 -46.7 -179.9 49.4 91.4 24.4 2 -0.7 8 -3.1 0 0.0 0 0.0 11 36
5 A 5 GLU E H H > TS+ 0 0 -60.8 -49.9 178.6 44.3 113.2 26.1 0 0.0 9 -2.0 0 0.0 0 0.0 8 24
6 A 6 ALA A H H > TS+ 0 0 -62.9 -38.7 178.5 51.8 114.9 25.2 0 0.0 10 -2.7 0 0.0 0 0.0 9 28
7 A 7 GLY G H H X TS+ 0 0 -63.6 -44.6 179.6 52.4 106.7 22.3 3 -2.7 11 -2.1 0 0.0 0 0.0 17 41
8 A 8 LYS K H H < TS+ 0 0 -58.8 -41.4 179.0 46.0 112.1 28.4 4 -3.1 0 0.0 0 0.0 0 0.0 11 37
9 A 9 ALA A H H < > TS+ 0 0 -68.1 -43.0 178.8 49.5 112.2 25.4 5 -2.0 12 -1.2 0 0.0 0 0.0 7 31
10 A 10 LYS K H H < > TS+ 0 0 -64.5 -28.7 -178.6 74.6 97.9 32.5 6 -2.7 13 -1.4 0 0.0 0 0.0 11 37
11 A 11 ALA A G h X > T + 0 0 -61.2 -15.0 179.8 87.4 68.0 56.6 7 -2.1 15 -2.1 0 0.0 14 -1.8 9 45
12 A 12 ALA A G T 4 < TS+ 0 0 -59.2 -26.7 179.4 51.5 88.4 38.1 9 -1.2 0 0.0 0 0.0 0 0.0 9 31
13 A 13 VAL V G T 4 < TS+ 0 0 -87.3 -3.1 -179.7 47.1 113.1 56.4 10 -1.4 0 0.0 0 0.0 0 0.0 6 32
14 A 14 CYS C T h > X TS+ 0 0 -101.6 -36.6 -176.4 77.3 92.4 40.2 11 -1.8 18 -2.3 0 0.0 17 -1.7 9 43
15 A 15 ALA A H H X 3 TS+ 0 0 -50.7 -33.1 -179.6 69.8 78.6 47.2 11 -2.1 19 -1.5 0 0.0 0 0.0 11 33
16 A 16 ALA A H H 4 3 TS+ 0 0 -58.9 -33.1 -179.5 20.5 118.8 31.6 0 0.0 0 0.0 0 0.0 0 0.0 8 27
17 A 17 CYS C H H 4 < TS+ 0 0 -103.0 -44.3 -178.3 39.4 131.7 32.5 14 -1.7 0 0.0 0 0.0 0 0.0 9 32
18 A 18 HIS H H H < TS- 0 0 -90.4 3.9 -179.9 -110.3 111.9 66.8 14 -2.3 0 0.0 0 0.0 0 0.0 15 44
19 A 19 GLY G h < > T - 0 0 81.9 152.7 -179.8 -88.9 25.0 77.1 15 -1.5 22 -1.2 0 0.0 0 0.0 12 35
20 A 20 GLN Q T T 3 TS+ 0 0 -66.3 -27.9 -178.8 39.2 130.3 37.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
21 A 21 ASN N T T 3 TS- 0 0 -106.4 12.3 -179.8 -97.5 124.1 78.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
22 A 22 GLY G S t < TS+ 0 0 85.2 0.5 177.9 108.7 96.7 59.3 19 -1.2 32 -2.8 0 0.0 33 -1.7 14 44
23 A 23 ILE I - 0 0 -110.8 124.0 -178.7 -145.4 61.2 165.5 0 0.0 0 0.0 0 0.0 0 0.0 14 32
24 A 24 SER S - 0 0 -87.8 167.3 177.6 -154.9 17.8 112.6 0 0.0 0 0.0 0 0.0 0 0.0 11 30
25 A 25 GLN Q S S S+ 0 0 -106.0 -32.3 179.2 83.2 78.3 48.2 0 0.0 0 0.0 0 0.0 0 0.0 8 21
26 A 26 VAL V S t > TS- 0 0 -77.1 118.9 -179.0 -142.1 77.4 130.2 0 0.0 29 -1.9 0 0.0 0 0.0 6 21
27 A 27 PRO P T T 3 TS+ 0 0 -60.9 -8.5 178.9 51.9 98.2 59.5 0 0.0 0 0.0 0 0.0 0 0.0 6 16
28 A 28 ILE I T T 3 TS+ 0 0 -106.9 -3.6 177.8 82.5 93.5 66.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
29 A 29 TYR Y S t < TS- 0 0 -101.7 122.5 -179.7 -124.9 84.5 156.3 26 -1.9 0 0.0 0 0.0 0 0.0 9 29
30 A 30 PRO P - 0 0 -69.6 150.5 175.5 -113.3 15.4 106.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
31 A 31 ASN N - 0 0 -76.5 141.0 179.1 -177.5 28.6 129.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
32 A 32 LEU L t > T + 0 0 -113.3 -22.2 -177.7 118.8 39.3 53.5 22 -2.8 35 -1.9 0 0.0 0 0.0 12 52
33 A 33 ALA A T T 3 TS- 0 0 -56.6 123.6 178.7 -2.9 89.0 104.1 22 -1.7 0 0.0 0 0.0 0 0.0 15 40
34 A 34 GLY G T T 3 TS+ 0 0 73.0 11.1 179.4 148.7 92.1 53.8 79 -2.6 0 0.0 0 0.0 0 0.0 10 34
35 A 35 GLN Q t < T - 0 0 -71.5 157.9 178.5 -79.3 64.4 110.3 32 -1.9 0 0.0 0 0.0 0 0.0 10 35
36 A 36 LYS K h > T - 0 0 -60.9 127.6 -179.1 -140.6 39.6 116.3 0 0.0 40 -2.2 0 0.0 0 0.0 7 31
37 A 37 GLU E H H > TS+ 0 0 -57.2 -48.7 179.9 51.2 99.3 25.7 0 0.0 41 -2.2 0 0.0 0 0.0 10 37
38 A 38 GLN Q H H > TS+ 0 0 -59.8 -37.0 178.5 49.0 111.7 29.8 0 0.0 42 -2.1 0 0.0 0 0.0 7 31
39 A 39 TYR Y H H > TS+ 0 0 -68.4 -42.4 179.2 54.4 107.3 26.8 0 0.0 43 -3.0 0 0.0 0 0.0 8 29
40 A 40 LEU L H H X TS+ 0 0 -57.8 -39.6 179.0 47.3 110.4 24.9 36 -2.2 44 -2.1 0 0.0 0 0.0 12 46
41 A 41 VAL V H H X TS+ 0 0 -67.9 -44.1 -179.5 48.5 113.4 22.4 37 -2.2 45 -2.4 0 0.0 0 0.0 11 43
42 A 42 ALA A H H X TS+ 0 0 -64.2 -42.7 179.9 48.7 111.3 26.5 38 -2.1 46 -1.8 0 0.0 0 0.0 8 37
43 A 43 ALA A H H X TS+ 0 0 -63.5 -46.1 179.5 48.5 112.5 21.1 39 -3.0 47 -2.3 0 0.0 0 0.0 8 44
44 A 44 LEU L H H X TS+ 0 0 -61.7 -43.3 177.8 49.7 110.9 24.4 40 -2.1 48 -2.6 0 0.0 0 0.0 10 51
45 A 45 LYS K H H X TS+ 0 0 -63.1 -35.7 179.3 54.0 109.4 29.9 41 -2.4 49 -1.7 0 0.0 0 0.0 11 35
46 A 46 ALA A H H < >TS+ 0 0 -63.7 -49.3 177.5 44.0 110.6 21.1 42 -1.8 51 -3.3 0 0.0 0 0.0 10 33
47 A 47 TYR Y H H < >5TS+ 0 0 -60.6 -44.4 179.9 53.5 112.8 24.1 43 -2.3 50 -1.4 0 0.0 0 0.0 14 35
48 A 48 LYS K H H < 35TS+ 0 0 -60.1 -32.5 -178.6 46.7 110.9 33.4 44 -2.6 0 0.0 0 0.0 0 0.0 12 32
49 A 49 ALA A T h < 35TS- 0 0 -93.1 5.8 -179.7 -111.5 116.5 68.5 45 -1.7 0 0.0 0 0.0 0 0.0 7 26
50 A 50 GLY G T T <5TS+ 0 0 70.9 26.2 -178.0 133.9 76.8 40.7 47 -1.4 0 0.0 0 0.0 0 0.0 8 25
51 A 51 GLN Q t TS+ 0 0 86.0 153.5 179.6 15.2 90.1 77.0 0 0.0 57 -2.2 0 0.0 0 0.0 6 16
55 A 55 GLY G T T 3 TS- 0 0 53.1 -126.0 -179.2 -18.5 131.3 104.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17
56 A 56 GLN Q T h > > TS+ 0 0 -97.2 10.3 179.0 109.0 103.4 75.9 0 0.0 60 -1.4 0 0.0 59 -0.8 8 24
57 A 57 ALA A H H > < TS+ 0 0 -54.9 -42.5 179.3 61.0 72.2 30.2 54 -2.2 61 -2.9 0 0.0 0 0.0 10 26
58 A 58 PRO P H H > 3 TS+ 0 0 -55.4 -33.3 178.3 54.7 101.9 27.7 0 0.0 62 -2.0 0 0.0 0 0.0 10 25
59 A 59 VAL V H H > < TS+ 0 0 -64.6 -48.2 179.5 40.7 112.5 17.1 56 -0.8 63 -0.8 0 0.0 0 0.0 7 31
60 A 60 MET M H H X TS+ 0 0 -71.2 -29.8 177.2 60.4 108.7 32.9 56 -1.4 64 -1.1 0 0.0 0 0.0 9 40
61 A 61 GLN Q H H X > TS+ 0 0 -60.7 -41.1 -179.9 55.2 101.7 18.1 57 -2.9 65 -1.6 0 0.0 64 -1.0 12 32
62 A 62 GLY G H H < 3 TS+ 0 0 -61.7 -26.5 179.8 47.3 108.9 39.1 58 -2.0 0 0.0 0 0.0 0 0.0 7 28
63 A 63 GLN Q H H < 3 TS+ 0 0 -89.6 -13.8 -177.6 49.4 112.4 51.4 59 -0.8 0 0.0 0 0.0 0 0.0 8 38
64 A 64 ALA A H H < X TS+ 0 0 -98.4 -26.9 -177.2 75.7 87.5 40.8 60 -1.1 67 -1.9 61 -1.0 0 0.0 11 42
65 A 65 THR T T h < 3 TS+ 0 0 -61.5 -21.4 179.7 54.7 93.6 44.8 61 -1.6 0 0.0 0 0.0 0 0.0 9 30
66 A 66 ALA A T T 3 TS+ 0 0 -91.7 2.2 -179.7 105.1 87.6 68.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
67 A 67 LEU L t < T - 0 0 -88.2 129.6 176.4 -143.3 63.6 135.7 64 -1.9 0 0.0 0 0.0 0 0.0 10 36
68 A 68 SER S h > T - 0 0 -78.9 167.7 179.2 -106.5 31.8 115.7 0 0.0 72 -2.0 0 0.0 0 0.0 6 30
69 A 69 ASP D H H > TS+ 0 0 -66.7 -26.8 178.0 55.0 123.8 34.0 0 0.0 73 -1.9 0 0.0 0 0.0 7 32
70 A 70 ALA A H H > TS+ 0 0 -70.8 -40.5 178.1 51.8 105.4 26.0 0 0.0 74 -2.7 0 0.0 0 0.0 8 33
71 A 71 ASP D H H > TS+ 0 0 -58.6 -44.0 -178.5 50.7 109.9 23.9 0 0.0 75 -2.9 0 0.0 0 0.0 10 41
72 A 72 ILE I H H X TS+ 0 0 -62.1 -43.2 178.3 46.9 111.0 27.3 68 -2.0 76 -2.5 0 0.0 0 0.0 12 49
73 A 73 ALA A H H X TS+ 0 0 -66.0 -44.8 179.8 46.8 115.1 23.1 69 -1.9 77 -2.4 0 0.0 0 0.0 13 41
74 A 74 ASN N H H X TS+ 0 0 -64.4 -44.6 179.8 47.8 113.6 24.8 70 -2.7 78 -2.4 0 0.0 0 0.0 17 44
75 A 75 LEU L H H X TS+ 0 0 -63.9 -45.1 179.2 48.5 112.2 22.0 71 -2.9 79 -2.8 0 0.0 0 0.0 16 56
76 A 76 ALA A H H X TS+ 0 0 -60.8 -45.1 179.3 50.2 112.1 19.7 72 -2.5 80 -2.9 0 0.0 0 0.0 14 54
77 A 77 ALA A H H X TS+ 0 0 -57.3 -47.9 179.1 46.4 113.3 22.2 73 -2.4 81 -1.5 0 0.0 0 0.0 14 41
78 A 78 TYR Y H H X TS+ 0 0 -59.8 -57.1 -179.5 42.3 116.0 17.2 74 -2.4 82 -0.7 0 0.0 0 0.0 14 48
79 A 79 TYR Y H H < > TS+ 0 0 -60.7 -40.8 178.8 54.6 112.0 26.2 75 -2.8 34 -2.6 0 0.0 82 -1.0 14 53
80 A 80 ALA A H H < 3 TS+ 0 0 -61.6 -31.8 -178.4 55.1 105.4 32.1 76 -2.9 0 0.0 0 0.0 0 0.0 14 45
81 A 81 SER S H H < 3 TS+ 0 0 -76.9 -18.1 179.9 96.2 88.5 49.8 77 -1.5 0 0.0 0 0.0 0 0.0 9 38
82 A 82 ASN N S h < < TS- 0 0 -73.4 147.5 179.3 -100.3 88.9 114.2 79 -1.0 0 0.0 78 -0.7 0 0.0 11 36
83 A 83 PRO P t > T - 0 0 -71.6 129.6 -178.6 -135.1 23.7 125.2 0 0.0 86 -0.8 0 0.0 0 0.0 8 26
84 A 84 ALA A T T 3 TS+ 0 0 -56.1 -23.4 -179.4 44.8 106.0 44.8 0 0.0 0 0.0 0 0.0 0 0.0 10 26
85 A 85 ALA A T T 3 T 0 0 -93.7 -26.4 178.5 999.9 999.9 46.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
86 A 86 ALA A t < T 0 0 120.6 999.9 999.9 999.9 999.9 46.7 83 -0.8 0 0.0 0 0.0 0 0.0 8 22
1cnoA.pdb
1CNO ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHGGGTHHHH TTS SSTTS TT HHHHHHHHHHHHTT STTHHHHHHHHTT HHHHHHHHHHHHHS TT Kabs/Sand
chirality --++++++++++++++--+-+--+-++---+-+--++++++++++++-+++++-+++++++++++--+++++++++++++--+ chirality
bends SSSSSSS SSSSSSS SSS SSSSS SS SSSSSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>><33< >33< >33< >33< >3><3< >33X33< >33<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>X<<X44<< >>>>XXXXXX<<<< >>>>XX<<<< >>>>XXXXXXX<<<< 4-turns
summary hHHHHHHHhTThHHHHhTTt StTTt tTTthHHHHHHHHHHHHhTt tThHHHHHHHHhTthHHHHHHHHHHHHHhtTTt summary
sequence AGDIEAGKAKAAVCAACHGQNGISQVPIYPNLAGQKEQYLVAALKAYKAGQRQGGQAPVMQGQATALSDADIANLAAYYASNPAAA sequence
10 20 30 40 50 60 70 80