Secondary structure calculation program - copyright by David Keith Smith, 1989
1akhA.pdb
1AKH COMPLEX (TWO DNA-BINDING PROTEINS/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 49
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 77 ILE I 0 0 999.9 123.3 -178.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
2 A 78 SER S h > T - 0 0 -46.5 145.8 -179.6 -115.4 999.9 95.0 0 0.0 6 -3.3 0 0.0 0 0.0 6 21
3 A 79 PRO P H H > TS+ 0 0 -56.1 -31.5 179.4 44.0 120.6 32.8 0 0.0 7 -0.8 0 0.0 0 0.0 6 16
4 A 80 GLN Q H H > TS+ 0 0 -82.0 -36.1 176.4 53.1 111.4 25.9 0 0.0 8 -2.5 0 0.0 0 0.0 7 19
5 A 81 ALA A H H > TS+ 0 0 -58.0 -51.8 179.5 50.3 109.3 12.7 0 0.0 9 -2.6 0 0.0 0 0.0 11 29
6 A 82 ARG R H H X TS+ 0 0 -54.9 -32.4 -178.1 53.6 108.2 38.2 2 -3.3 10 -1.8 0 0.0 0 0.0 10 31
7 A 83 ALA A H H X TS+ 0 0 -69.1 -47.4 -179.6 48.9 108.0 18.9 3 -0.8 11 -2.2 0 0.0 0 0.0 8 24
8 A 84 PHE F H H X TS+ 0 0 -55.1 -55.5 179.4 52.4 109.1 16.3 4 -2.5 12 -3.1 0 0.0 0 0.0 9 35
9 A 85 LEU L H H X TS+ 0 0 -50.3 -42.0 177.2 46.9 111.4 31.0 5 -2.6 13 -2.5 0 0.0 0 0.0 11 43
10 A 86 GLU E H H X TS+ 0 0 -67.1 -40.3 178.9 51.2 112.4 29.9 6 -1.8 14 -1.8 0 0.0 0 0.0 8 35
11 A 87 GLU E H H X TS+ 0 0 -59.4 -53.8 178.7 44.3 112.7 13.3 7 -2.2 15 -0.9 0 0.0 0 0.0 8 30
12 A 88 VAL V H H X > TS+ 0 0 -57.0 -41.5 -178.7 52.7 113.8 29.2 8 -3.1 16 -2.3 0 0.0 15 -0.7 9 34
13 A 89 PHE F H H < 3 TS+ 0 0 -66.7 -34.4 178.5 61.0 98.6 37.9 9 -2.5 0 0.0 0 0.0 0 0.0 10 33
14 A 90 ARG R H H < 3 TS+ 0 0 -62.4 -25.0 179.6 37.9 115.0 39.6 10 -1.8 0 0.0 0 0.0 0 0.0 7 19
15 A 91 ARG R H H < < TS+ 0 0 -92.8 -43.1 178.5 8.6 132.5 38.2 11 -0.9 0 0.0 12 -0.7 0 0.0 6 19
16 A 92 LYS K h < T - 0 0 -144.7 138.2 178.5 -160.2 49.1 165.7 12 -2.3 0 0.0 0 0.0 0 0.0 7 26
17 A 93 GLN Q S S S+ 0 0 -89.7 -17.8 179.4 38.7 83.7 50.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
18 A 94 SER S S S S- 0 0 -132.6 154.9 -176.5 -157.3 70.2 164.8 0 0.0 0 0.0 0 0.0 0 0.0 6 32
19 A 95 LEU L - 0 0 -142.5 129.9 177.4 -134.1 11.7 163.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
20 A 96 ASN N h > T - 0 0 -64.6 179.0 -177.9 -92.0 45.6 89.1 0 0.0 24 -2.3 0 0.0 0 0.0 6 22
21 A 97 SER S H H > TS+ 0 0 -59.9 -48.0 -176.8 51.3 122.3 28.7 0 0.0 25 -1.3 0 0.0 0 0.0 6 21
22 A 98 LYS K H H > > TS+ 0 0 -57.2 -57.2 176.3 43.1 114.4 16.8 0 0.0 26 -1.9 0 0.0 25 -0.6 6 19
23 A 99 GLU E H H > > TS+ 0 0 -52.0 -60.6 179.1 53.9 111.1 16.7 0 0.0 27 -2.5 0 0.0 26 -0.6 8 30
24 A 100 LYS K H H X 3 TS+ 0 0 -46.9 -30.5 -179.8 51.1 110.2 38.8 20 -2.3 28 -1.9 0 0.0 0 0.0 12 35
25 A 101 GLU E H H X < TS+ 0 0 -75.3 -44.4 179.2 46.7 109.9 29.1 21 -1.3 29 -2.7 22 -0.6 0 0.0 9 28
26 A 102 GLU E H H X < TS+ 0 0 -57.8 -65.1 -179.8 47.1 115.0 3.1 22 -1.9 30 -1.8 23 -0.6 0 0.0 8 28
27 A 103 VAL V H H X TS+ 0 0 -45.7 -44.8 178.4 52.5 109.8 33.5 23 -2.5 31 -1.8 0 0.0 0 0.0 11 40
28 A 104 ALA A H H X >TS+ 0 0 -56.6 -51.0 -179.9 50.7 110.3 8.8 24 -1.9 32 -1.4 0 0.0 33 -1.0 13 36
29 A 105 LYS K H H < 5TS+ 0 0 -50.1 -49.0 177.9 48.1 110.0 38.8 25 -2.7 0 0.0 0 0.0 0 0.0 10 27
30 A 106 LYS K H H < 5TS+ 0 0 -56.0 -64.4 -177.9 42.9 115.3 7.4 26 -1.8 0 0.0 0 0.0 0 0.0 7 28
31 A 107 CYS C H H < 5TS- 0 0 -62.5 -20.2 179.2 -126.6 104.4 53.4 27 -1.8 0 0.0 0 0.0 0 0.0 12 32
32 A 108 GLY G T h < 5TS+ 0 0 84.2 7.0 179.5 113.5 72.1 55.9 28 -1.4 0 0.0 0 0.0 0 0.0 7 26
33 A 109 ILE I S t T - 0 0 -70.9 166.1 179.4 -113.6 33.1 103.9 0 0.0 38 -1.8 0 0.0 0 0.0 8 26
35 A 111 PRO P H H > TS+ 0 0 -72.1 -21.1 -179.8 59.8 118.2 35.4 0 0.0 39 -2.0 0 0.0 0 0.0 11 31
36 A 112 LEU L H H > TS+ 0 0 -67.2 -47.1 177.3 49.3 103.3 19.3 0 0.0 40 -2.7 0 0.0 0 0.0 6 29
37 A 113 GLN Q H H > TS+ 0 0 -57.4 -43.4 177.2 47.6 112.7 28.2 0 0.0 41 -2.7 0 0.0 0 0.0 9 31
38 A 114 VAL V H H X TS+ 0 0 -67.8 -27.9 177.1 56.0 109.1 30.0 34 -1.8 42 -2.0 0 0.0 0 0.0 13 44
39 A 115 ARG R H H X TS+ 0 0 -63.5 -55.3 179.3 39.3 112.8 15.6 35 -2.0 43 -2.0 0 0.0 0 0.0 9 38
40 A 116 VAL V H H X TS+ 0 0 -62.6 -41.1 178.0 60.5 110.9 23.3 36 -2.7 44 -3.0 0 0.0 0 0.0 8 31
41 A 117 TRP W H H X TS+ 0 0 -52.2 -47.4 179.7 42.3 109.4 29.5 37 -2.7 45 -2.3 0 0.0 0 0.0 8 39
42 A 118 PHE F H H X TS+ 0 0 -70.6 -35.8 179.6 54.4 111.9 29.3 38 -2.0 46 -3.1 0 0.0 0 0.0 11 40
43 A 119 ILE I H H X TS+ 0 0 -61.6 -52.0 -179.6 41.2 113.5 9.2 39 -2.0 47 -3.0 0 0.0 0 0.0 8 25
44 A 120 ASN N H H X TS+ 0 0 -59.7 -44.7 179.8 55.1 113.5 23.7 40 -3.0 48 -2.8 0 0.0 0 0.0 9 21
45 A 121 LYS K H H X TS+ 0 0 -53.9 -53.9 -178.8 40.1 113.2 15.1 41 -2.3 49 -3.4 0 0.0 0 0.0 8 28
46 A 122 ARG R H H < TS+ 0 0 -60.4 -45.6 -178.5 51.2 117.0 23.2 42 -3.1 0 0.0 0 0.0 0 0.0 8 22
47 A 123 MET M H H < TS+ 0 0 -60.2 -35.8 -179.9 28.3 123.5 43.9 43 -3.0 0 0.0 0 0.0 0 0.0 6 14
48 A 124 ARG R H H < T 0 0 -96.1 -42.5 178.9 999.9 999.9 34.8 44 -2.8 0 0.0 0 0.0 0 0.0 5 12
49 A 125 SER S h < T 0 0 -144.9 999.9 999.9 999.9 999.9 65.9 45 -3.4 0 0.0 0 0.0 0 0.0 5 17
1akhA.pdb
1AKH COMPLEX (TWO DNA-BINDING PROTEINS/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHH SS HHHHHHHHHHHTS HHHHHHHHHHHHHH Kabs/Sand
chirality -+++++++++++++-+---++++++++++-+--+++++++++++++ chirality
bends SSSSSSSSSSSSS SS SSSSSSSSSSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHhSS hHHHHHHHHHHHhthHHHHHHHHHHHHHHh summary
sequence ISPQARAFLEEVFRRKQSLNSKEKEEVAKKCGITPLQVRVWFINKRMRS sequence
10 20 30 40