Secondary structure calculation program - copyright by David Keith Smith, 1989
1fhb-.pdb
1FHB ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 108
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 -5 THR T 0 0 999.9 152.2 -178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
2 -4 GLU E + 0 0 -81.7 -57.1 -177.6 81.3 999.9 18.9 0 0.0 0 0.0 0 0.0 0 0.0 3 19
3 -3 PHE F - 0 0 -56.8 132.3 180.0 -156.3 65.4 103.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
4 -2 LYS K - 0 0 -118.5 140.6 -155.4 -99.0 28.4 152.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
5 -1 ALA A - 0 0 -83.0 157.6 -177.7 -163.2 21.6 100.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
6 1 GLY G S S S- 0 0 -91.1 -69.6 179.4 -27.8 71.2 23.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
7 2 SER S - 0 0 -157.3 132.7 176.6 -151.4 37.6 160.4 0 0.0 0 0.0 0 0.0 0 0.0 9 25
8 3 ALA A S t > TS+ 0 0 -69.5 -50.7 169.3 55.3 92.8 21.3 0 0.0 12 -0.8 0 0.0 0 0.0 11 28
9 4 LYS K T T 4 TS+ 0 0 -70.2 169.6 -175.8 36.2 104.0 106.1 0 0.0 11 -2.2 0 0.0 0 0.0 8 24
10 5 LYS K T h > TS+ 0 0 76.3 -54.9 173.0 69.8 107.8 112.8 0 0.0 14 -2.1 0 0.0 0 0.0 10 28
11 6 GLY G H H > TS+ 0 0 -53.0 -38.2 172.7 58.3 93.6 28.5 9 -2.2 15 -3.1 0 0.0 0 0.0 17 35
12 7 ALA A H H X TS+ 0 0 -53.8 -49.6 -177.6 49.0 104.4 23.5 8 -0.8 16 -3.1 0 0.0 0 0.0 11 35
13 8 THR T H H > TS+ 0 0 -63.0 -40.4 176.9 48.9 111.9 27.7 0 0.0 17 -1.5 0 0.0 0 0.0 8 30
14 9 LEU L H H X > TS+ 0 0 -62.5 -57.3 175.9 46.8 112.5 8.8 10 -2.1 18 -1.5 0 0.0 17 -1.1 12 39
15 10 PHE F H H X 3>TS+ 0 0 -45.9 -51.9 -178.2 53.1 111.5 23.1 11 -3.1 20 -2.7 0 0.0 19 -1.7 12 46
16 11 LYS K H H < 35TS+ 0 0 -57.8 -32.2 -177.6 36.9 117.0 39.3 12 -3.1 0 0.0 0 0.0 0 0.0 9 29
17 12 THR T H H < <5TS+ 0 0 -99.4 -8.9 -175.4 23.6 132.5 59.1 13 -1.5 0 0.0 14 -1.1 0 0.0 8 28
18 13 ARG R H H < 5TS+ 0 0 -117.1 -58.3 -160.6 20.0 131.6 43.2 14 -1.5 0 0.0 0 0.0 0 0.0 7 38
19 14 CYS C T h X >5TS+ 0 0 -98.2 -42.9 -179.9 71.2 106.7 30.9 15 -1.7 23 -2.7 0 0.0 22 -1.8 10 50
20 15 LEU L T T 4 3 T + 0 0 -53.6 -39.5 -179.7 95.2 43.0 33.2 0 0.0 43 -2.8 0 0.0 0 0.0 11 46
41 36 PHE F T T 3 TS+ 0 0 -63.8 104.8 -179.4 3.8 106.3 115.9 0 0.0 0 0.0 0 0.0 0 0.0 12 43
42 37 GLY G T T 3 TS+ 0 0 88.9 17.1 167.2 105.8 109.2 52.7 64 -0.9 0 0.0 63 -0.8 0 0.0 8 31
43 38 ARG R S t < TS- 0 0 -116.7 132.1 -177.9 -114.2 76.4 172.0 40 -2.8 0 0.0 0 0.0 0 0.0 9 33
44 39 GLN Q - 0 0 -64.3 168.1 -173.8 -80.0 42.8 96.7 0 0.0 0 0.0 0 0.0 0 0.0 10 32
45 40 SER S S S S+ 0 0 -72.7 149.0 -175.7 36.1 111.1 106.2 62 -2.1 0 0.0 0 0.0 0 0.0 12 43
46 41 GLY G + 0 0 70.2 58.2 -179.0 144.3 69.0 12.1 0 0.0 0 0.0 0 0.0 0 0.0 9 43
47 42 GLN Q + 0 0 -114.4 22.3 -176.4 78.7 46.8 87.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
48 43 ALA A - 0 0 -139.0 95.8 -179.5 -158.3 65.3 147.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
49 44 GLU E + 0 0 -63.2 171.8 172.5 35.0 68.8 90.1 0 0.0 51 -2.1 0 0.0 0 0.0 6 25
50 45 GLY G S S S+ 0 0 81.8 -56.0 178.0 100.2 91.6 107.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
51 46 TYR Y S S S- 0 0 -63.1 155.0 -170.2 -81.7 96.7 102.2 49 -2.1 53 -1.7 0 0.0 0 0.0 7 28
52 47 SER S + 0 0 -69.5 82.3 179.9 176.9 63.7 113.5 0 0.0 0 0.0 0 0.0 0 0.0 4 26
53 48 TYR Y - 0 0 -75.4 178.9 176.7 -128.1 19.6 93.3 51 -1.7 0 0.0 0 0.0 0 0.0 8 30
54 49 THR T h > T - 0 0 -132.6 146.2 167.2 -133.3 14.4 169.0 0 0.0 58 -1.7 0 0.0 0 0.0 8 30
55 50 ASP D H H > TS+ 0 0 -51.0 -50.5 -178.1 60.3 110.3 20.2 0 0.0 59 -3.2 0 0.0 0 0.0 7 24
56 51 ALA A H H > TS+ 0 0 -50.1 -51.6 178.1 49.0 102.0 27.0 0 0.0 60 -2.4 0 0.0 0 0.0 10 25
57 52 ASN N H H 4 TS+ 0 0 -55.7 -48.7 177.6 46.5 114.9 17.0 0 0.0 0 0.0 0 0.0 0 0.0 14 38
58 53 ILE I H H < > TS+ 0 0 -55.1 -58.9 -179.0 44.4 115.1 15.7 54 -1.7 61 -2.0 0 0.0 0 0.0 9 27
59 54 LYS K H H < 3 TS+ 0 0 -58.8 -28.8 178.3 54.9 112.0 38.2 55 -3.2 0 0.0 0 0.0 0 0.0 6 21
60 55 LYS K T h < 3 TS- 0 0 -94.4 27.2 175.8 -176.8 85.3 90.5 56 -2.4 0 0.0 0 0.0 0 0.0 8 29
61 56 ASN N t < T - 0 0 -28.5 106.1 -176.1 -175.6 4.5 86.7 58 -2.0 0 0.0 0 0.0 0 0.0 9 30
62 57 VAL V - 0 0 -121.7 137.6 -172.4 -140.7 29.7 161.3 0 0.0 45 -2.1 0 0.0 0 0.0 7 38
63 58 LEU L - 0 0 -71.8 -19.9 -173.5 -129.0 35.6 48.7 0 0.0 42 -0.8 0 0.0 0 0.0 10 33
64 59 TRP W + 0 0 57.2 53.9 156.2 156.9 48.9 21.1 0 0.0 42 -0.9 0 0.0 0 0.0 13 44
65 60 ASP D h > T - 0 0 -79.2 172.4 -179.7 -93.7 60.3 115.5 0 0.0 69 -2.5 0 0.0 0 0.0 9 39
66 61 GLU E H H > TS+ 0 0 -60.1 -40.7 -176.9 50.1 123.0 32.5 0 0.0 70 -2.7 0 0.0 0 0.0 9 43
67 62 ASN N H H > TS+ 0 0 -66.1 -53.3 -175.5 43.6 113.6 13.3 0 0.0 71 -2.8 0 0.0 0 0.0 8 37
68 63 ASN N H H > TS+ 0 0 -62.3 -43.5 176.1 45.2 117.9 24.9 0 0.0 72 -3.0 0 0.0 0 0.0 10 39
69 64 MET M H H X TS+ 0 0 -63.7 -47.2 177.0 53.8 111.1 18.6 65 -2.5 73 -3.0 0 0.0 0 0.0 9 53
70 65 SER S H H X TS+ 0 0 -49.7 -48.8 178.2 40.4 115.5 25.2 66 -2.7 74 -0.8 0 0.0 0 0.0 10 48
71 66 GLU E H H X > TS+ 0 0 -63.6 -61.8 179.9 52.3 113.5 9.2 67 -2.8 74 -1.8 0 0.0 75 -0.9 9 34
72 67 TYR Y H H < > TS+ 0 0 -40.0 -54.0 -179.0 56.8 104.8 30.2 68 -3.0 75 -1.7 0 0.0 0 0.0 11 46
73 68 LEU L H H < 3 TS+ 0 0 -52.9 -35.5 174.0 57.0 102.1 37.9 69 -3.0 90 -2.4 0 0.0 0 0.0 9 50
74 69 THR T H H < < TS+ 0 0 -58.6 -37.6 -165.5 1.4 133.5 35.1 71 -1.8 0 0.0 70 -0.8 0 0.0 9 34
75 70 ASN N h X X T + 0 0 -159.4 64.0 -164.9 167.8 69.6 111.1 72 -1.7 79 -2.8 71 -0.9 78 -2.0 10 29
76 71 PRO P H H > 3 TS+ 0 0 -61.3 -47.4 179.3 52.3 80.5 26.8 0 0.0 80 -2.9 0 0.0 0 0.0 12 37
77 72 LYS K H H 4 3 TS+ 0 0 -63.8 -15.4 175.1 42.8 116.2 54.8 0 0.0 0 0.0 0 0.0 0 0.0 11 32
78 73 LYS K H H 4 < TS+ 0 0 -91.8 -52.0 -173.6 48.6 113.3 33.6 75 -2.0 0 0.0 0 0.0 0 0.0 7 27
79 74 TYR Y H H < TS+ 0 0 -63.2 -35.4 169.6 32.3 125.1 33.8 75 -2.8 0 0.0 0 0.0 0 0.0 8 36
80 75 ILE I S h < TS- 0 0 -118.4 104.5 -175.8 -151.6 82.4 161.4 76 -2.9 82 -2.5 0 0.0 0 0.0 11 36
81 76 PRO P S S S+ 0 0 -78.3 66.3 -179.1 41.7 85.2 112.2 0 0.0 0 0.0 0 0.0 0 0.0 8 28
82 77 GLY G S S S+ 0 0 153.4 75.7 179.1 132.7 75.8 82.1 80 -2.5 0 0.0 0 0.0 0 0.0 9 27
83 78 THR T - 0 0 -141.1 143.5 171.1 -144.6 51.2 173.5 0 0.0 0 0.0 0 0.0 0 0.0 11 35
84 79 LYS K + 0 0 -77.8 -4.7 -176.4 123.6 66.2 64.7 0 0.0 86 -2.4 0 0.0 0 0.0 5 32
85 80 ALA A + 0 0 -66.6 77.4 173.5 178.0 36.3 111.2 0 0.0 87 -2.4 0 0.0 0 0.0 7 39
86 81 ALA A + 0 0 -73.8 56.0 -175.3 151.5 29.7 109.9 84 -2.4 0 0.0 0 0.0 0 0.0 6 27
87 82 PHE F - 0 0 -98.8 141.0 174.7 -113.5 59.2 136.5 85 -2.4 89 -2.0 0 0.0 0 0.0 5 35
88 83 GLY G - 0 0 -72.8 79.1 174.5 -114.4 49.8 123.8 0 0.0 0 0.0 0 0.0 0 0.0 4 30
89 84 GLY G - 0 0 -15.1 117.9 -167.2 -101.1 33.3 74.0 87 -2.0 91 -1.2 0 0.0 0 0.0 8 33
90 85 LEU L + 0 0 -65.7 90.7 -177.5 162.6 54.6 108.4 73 -2.4 0 0.0 0 0.0 0 0.0 9 36
91 86 LYS K + 0 0 -76.9 -32.3 -172.5 86.7 53.0 36.7 89 -1.2 0 0.0 0 0.0 0 0.0 5 25
92 87 LYS K - 0 0 -42.7 -43.8 172.7 -172.8 63.7 43.9 0 0.0 94 -2.0 0 0.0 0 0.0 6 25
93 88 GLU E S h > TS+ 0 0 81.9 -47.1 -175.6 59.6 71.9 103.7 0 0.0 97 -0.6 0 0.0 0 0.0 7 28
94 89 LYS K H H > > TS+ 0 0 -76.6 -62.8 178.1 46.8 101.8 9.7 92 -2.0 97 -2.2 0 0.0 98 -0.8 6 30
95 90 ASP D H H > 3 TS+ 0 0 -48.0 -40.4 171.0 70.4 102.2 32.5 0 0.0 99 -3.0 0 0.0 0 0.0 9 35
96 91 ARG R H H > 3 TS+ 0 0 -41.1 -45.6 -179.2 58.7 91.2 32.6 0 0.0 100 -3.3 0 0.0 0 0.0 11 45
97 92 ASN N H H X < TS+ 0 0 -56.6 -49.4 178.9 39.1 111.8 19.1 94 -2.2 101 -2.4 93 -0.6 0 0.0 11 40
98 93 ASP D H H X TS+ 0 0 -64.5 -53.0 176.7 51.1 116.5 17.3 94 -0.8 102 -3.0 0 0.0 0 0.0 16 39
99 94 LEU L H H X TS+ 0 0 -48.9 -57.3 176.6 46.2 112.1 18.0 95 -3.0 103 -3.0 0 0.0 0 0.0 13 50
100 95 ILE I H H X TS+ 0 0 -55.2 -44.8 175.0 54.1 111.2 24.6 96 -3.3 104 -3.3 0 0.0 0 0.0 11 56
101 96 THR T H H X TS+ 0 0 -51.9 -55.6 179.2 44.8 111.0 16.2 97 -2.4 105 -2.8 0 0.0 0 0.0 13 46
102 97 TYR Y H H X TS+ 0 0 -53.6 -49.8 -177.6 48.0 115.3 21.6 98 -3.0 106 -2.9 0 0.0 0 0.0 15 44
103 98 LEU L H H X TS+ 0 0 -59.3 -52.0 173.8 48.7 112.1 18.5 99 -3.0 107 -2.4 0 0.0 0 0.0 13 53
104 99 LYS K H H < TS+ 0 0 -48.8 -49.2 -175.8 45.5 115.1 24.7 100 -3.3 0 0.0 0 0.0 0 0.0 9 47
105 100 LYS K H H < > TS+ 0 0 -67.2 -42.5 177.5 45.8 115.4 28.8 101 -2.8 108 -0.9 0 0.0 0 0.0 8 38
106 101 ALA A H H < 3 TS+ 0 0 -65.4 -32.9 -174.8 51.6 113.3 38.2 102 -2.9 0 0.0 0 0.0 0 0.0 9 42
107 102 SER S T h < 3 T 0 0 -103.9 33.8 174.7 999.9 999.9 101.9 103 -2.4 0 0.0 0 0.0 0 0.0 11 40
108 103 GLU E t < T 0 0 -83.0 999.9 999.9 999.9 999.9 26.2 105 -0.9 0 0.0 0 0.0 0 0.0 6 27
1fhb-.pdb
1FHB ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S STTHHHHHHHHTTTT B SSS SSS B SS TTS S SS HHHHHT HHHHHHHHH HHHHSSS SHHHHHHH Kabs/Sand
chirality +-----+++++++++++++++--+--+--+-+---+-++++--+++-++-+--+++++----+-++++++++++++++-++-+++---++-++++++++ chirality
bends S SSSSSSSSSSSSSSS SSS SSS SS SSS S SS SSSSSS SSSSSSSSS SSSSSSS SSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >>333< 3-turns
bridge-2 bridge-2
bridge-1 a a bridge-1
sheets sheets
4-turns >4>>X>XX<<>>4<<< >>>>XXX<<44<< >>>>XXXX 4-turns
summary S tThHHHHHHHHhTTTtB SSS SSS B SStTTt S SS hHHHHHht hHHHHHHHHHhHHHHhSS hHHHHHHH summary
sequence TEFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRQSGQAEGYSYTDANIKKNVLWDENNMSEYLTNPKKYIPGTKAAFGGLKKEKDRNDLI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHT Kabs/Sand
chirality ++++++ chirality
bends SSSSSS bends
turns TTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXX<<<< 4-turns
summary HHHHHHht summary
sequence TYLKKASE sequence