Secondary structure calculation program - copyright by David Keith Smith, 1989
1fjlA.pdb
1FJL COMPLEX (DNA-BINDING PROTEIN/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 65
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 0 LYS K 0 0 999.9 122.8 -176.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 1 GLN Q - 0 0 -71.6 131.7 177.1 -177.3 999.9 111.5 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 A 2 ARG R - 0 0 -113.6 170.1 -179.6 -71.9 44.4 129.5 0 0.0 0 0.0 0 0.0 0 0.0 4 7
4 A 3 ARG R - 0 0 -67.1 132.3 176.9 -103.9 60.0 122.6 0 0.0 0 0.0 0 0.0 0 0.0 4 11
5 A 4 SER S - 0 0 -51.9 150.5 -179.7 -88.5 48.2 103.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
6 A 5 ARG R - 0 0 -65.2 136.6 179.1 -128.1 41.9 111.5 0 0.0 0 0.0 0 0.0 0 0.0 4 16
7 A 6 THR T - 0 0 -88.3 139.0 -179.5 -145.5 16.9 135.8 0 0.0 9 -0.6 0 0.0 0 0.0 5 25
8 A 7 THR T - 0 0 -108.4 123.9 -179.7 -149.0 9.3 159.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
9 A 8 PHE F - 0 0 -92.7 139.6 178.8 -130.2 12.7 136.2 7 -0.6 0 0.0 0 0.0 0 0.0 7 30
10 A 9 SER S h > T - 0 0 -82.1 160.1 178.6 -107.7 28.0 118.8 0 0.0 14 -3.3 0 0.0 0 0.0 6 22
11 A 10 ALA A H H > TS+ 0 0 -55.7 -33.6 178.6 51.9 124.0 30.7 0 0.0 15 -2.0 0 0.0 0 0.0 6 16
12 A 11 SER S H H > TS+ 0 0 -68.0 -46.6 179.5 42.5 112.5 21.5 0 0.0 16 -1.9 0 0.0 0 0.0 8 20
13 A 12 GLN Q H H > TS+ 0 0 -67.8 -40.0 178.0 51.7 115.2 27.2 0 0.0 17 -2.6 0 0.0 0 0.0 9 32
14 A 13 LEU L H H X TS+ 0 0 -66.1 -37.0 178.6 49.7 108.8 35.2 10 -3.3 18 -2.1 0 0.0 0 0.0 9 32
15 A 14 ASP D H H X TS+ 0 0 -68.7 -40.4 -178.8 48.0 112.3 25.5 11 -2.0 19 -1.9 0 0.0 0 0.0 8 25
16 A 15 GLU E H H X TS+ 0 0 -65.0 -42.6 178.8 49.5 112.4 23.3 12 -1.9 20 -1.4 0 0.0 0 0.0 10 37
17 A 16 LEU L H H X TS+ 0 0 -64.1 -44.8 179.3 46.0 112.4 24.9 13 -2.6 21 -2.6 0 0.0 0 0.0 9 45
18 A 17 GLU E H H X TS+ 0 0 -70.0 -37.2 177.8 52.9 109.2 33.0 14 -2.1 22 -2.1 0 0.0 0 0.0 8 36
19 A 18 ARG R H H X TS+ 0 0 -66.3 -30.6 177.3 48.6 111.7 31.7 15 -1.9 23 -1.2 0 0.0 0 0.0 8 28
20 A 19 ALA A H H X TS+ 0 0 -72.2 -41.6 179.8 52.8 108.7 21.1 16 -1.4 24 -3.7 0 0.0 0 0.0 9 35
21 A 20 PHE F H H < TS+ 0 0 -59.7 -39.6 178.7 53.1 106.9 28.5 17 -2.6 0 0.0 0 0.0 0 0.0 11 34
22 A 21 GLU E H H < TS+ 0 0 -64.4 -33.3 177.7 41.7 114.0 35.4 18 -2.1 0 0.0 0 0.0 0 0.0 7 23
23 A 22 ARG R H H < TS+ 0 0 -79.0 -43.5 -179.3 1.2 136.7 21.3 19 -1.2 0 0.0 0 0.0 0 0.0 6 20
24 A 23 THR T h < T - 0 0 -154.5 128.2 180.0 -168.7 44.3 162.1 20 -3.7 0 0.0 0 0.0 0 0.0 7 27
25 A 24 GLN Q S S S+ 0 0 -85.3 -14.2 178.3 46.6 95.2 54.8 0 0.0 0 0.0 0 0.0 0 0.0 9 30
26 A 25 TYR Y S S S- 0 0 -127.0 63.1 -179.8 -171.6 79.3 116.6 0 0.0 0 0.0 0 0.0 0 0.0 6 30
27 A 26 PRO P - 0 0 -58.3 124.6 179.0 -129.2 20.3 107.5 0 0.0 0 0.0 0 0.0 0 0.0 9 32
28 A 27 ASP D h > T - 0 0 -65.9 179.7 -176.3 -88.5 34.1 91.7 0 0.0 32 -2.6 0 0.0 0 0.0 6 24
29 A 28 ILE I H H > TS+ 0 0 -60.8 -36.9 -178.5 52.2 127.2 28.8 0 0.0 33 -2.5 0 0.0 0 0.0 6 25
30 A 29 TYR Y H H > TS+ 0 0 -67.1 -44.7 178.6 47.8 110.7 18.4 0 0.0 34 -2.2 0 0.0 0 0.0 7 20
31 A 30 THR T H H > TS+ 0 0 -59.4 -53.7 -179.0 47.9 112.3 19.2 0 0.0 35 -3.4 0 0.0 0 0.0 8 34
32 A 31 ARG R H H X TS+ 0 0 -56.5 -41.0 179.6 49.4 113.0 24.2 28 -2.6 36 -2.6 0 0.0 0 0.0 12 38
33 A 32 GLU E H H X TS+ 0 0 -66.6 -34.8 178.0 48.8 111.7 28.9 29 -2.5 37 -1.8 0 0.0 0 0.0 9 29
34 A 33 GLU E H H X TS+ 0 0 -67.0 -49.2 178.6 50.0 110.8 17.8 30 -2.2 38 -2.4 0 0.0 0 0.0 8 30
35 A 34 LEU L H H X TS+ 0 0 -55.3 -42.5 -179.4 57.0 106.4 25.9 31 -3.4 39 -2.7 0 0.0 0 0.0 12 40
36 A 35 ALA A H H X >TS+ 0 0 -57.2 -44.9 179.0 47.8 107.5 21.9 32 -2.6 40 -2.6 0 0.0 41 -0.7 12 36
37 A 36 GLN Q H H < 5TS+ 0 0 -59.1 -56.4 -177.8 47.9 112.6 12.2 33 -1.8 0 0.0 0 0.0 0 0.0 8 24
38 A 37 ARG R H H < 5TS+ 0 0 -52.6 -43.5 -177.1 31.2 123.6 29.7 34 -2.4 0 0.0 0 0.0 0 0.0 6 27
39 A 38 THR T H H < 5TS- 0 0 -91.4 -24.6 -178.0 -127.2 98.4 45.3 35 -2.7 0 0.0 0 0.0 0 0.0 9 31
40 A 39 ASN N T h < 5T + 0 0 78.2 25.6 175.7 127.0 67.3 42.1 36 -2.6 0 0.0 0 0.0 0 0.0 6 28
41 A 40 LEU L t T - 0 0 -83.2 159.1 -178.3 -117.7 28.0 123.8 0 0.0 46 -1.5 0 0.0 0 0.0 7 31
43 A 42 GLU E H H > TS+ 0 0 -69.7 -21.7 179.6 65.3 113.1 36.5 0 0.0 47 -2.5 0 0.0 0 0.0 10 31
44 A 43 ALA A H H > TS+ 0 0 -63.7 -42.8 178.3 45.4 103.4 20.9 0 0.0 48 -1.9 0 0.0 0 0.0 6 31
45 A 44 ARG R H H > TS+ 0 0 -67.7 -33.6 178.6 56.3 110.0 32.1 0 0.0 49 -2.7 0 0.0 0 0.0 9 36
46 A 45 ILE I H H X TS+ 0 0 -64.3 -48.3 180.0 49.3 105.9 21.5 42 -1.5 50 -2.5 0 0.0 0 0.0 12 45
47 A 46 GLN Q H H X TS+ 0 0 -59.6 -41.0 179.8 48.1 112.5 19.1 43 -2.5 51 -2.0 0 0.0 0 0.0 9 39
48 A 47 VAL V H H X TS+ 0 0 -65.6 -40.5 -180.0 54.6 108.6 21.1 44 -1.9 52 -2.9 0 0.0 0 0.0 8 35
49 A 48 TRP W H H X TS+ 0 0 -59.0 -46.7 178.7 47.5 109.0 23.0 45 -2.7 53 -2.6 0 0.0 0 0.0 8 44
50 A 49 PHE F H H X TS+ 0 0 -63.1 -37.4 179.1 53.3 110.3 25.6 46 -2.5 54 -2.9 0 0.0 0 0.0 11 42
51 A 50 GLN Q H H X TS+ 0 0 -59.5 -54.8 -179.7 40.6 114.0 16.9 47 -2.0 55 -1.3 0 0.0 0 0.0 8 28
52 A 51 ASN N H H X TS+ 0 0 -63.2 -33.8 178.7 56.8 113.0 30.8 48 -2.9 56 -1.7 0 0.0 0 0.0 8 27
53 A 52 ARG R H H X TS+ 0 0 -63.3 -46.4 177.8 48.2 106.2 20.5 49 -2.6 57 -2.2 0 0.0 0 0.0 8 33
54 A 53 ARG R H H X TS+ 0 0 -63.3 -28.6 -179.6 52.3 111.8 38.5 50 -2.9 58 -1.9 0 0.0 0 0.0 9 27
55 A 54 ALA A H H X TS+ 0 0 -77.6 -33.6 178.0 50.8 106.4 36.3 51 -1.3 59 -2.2 0 0.0 0 0.0 8 20
56 A 55 ARG R H H X TS+ 0 0 -67.8 -41.4 179.2 51.9 110.8 23.8 52 -1.7 60 -1.9 0 0.0 0 0.0 8 20
57 A 56 LEU L H H X TS+ 0 0 -60.1 -47.8 -179.8 45.2 111.5 18.5 53 -2.2 61 -2.0 0 0.0 0 0.0 8 22
58 A 57 ARG R H H X TS+ 0 0 -65.3 -40.0 -178.6 50.5 112.4 25.4 54 -1.9 62 -2.1 0 0.0 0 0.0 8 17
59 A 58 LYS K H H X TS+ 0 0 -67.8 -33.6 -178.1 51.3 109.4 32.3 55 -2.2 63 -1.7 0 0.0 0 0.0 8 14
60 A 59 GLN Q H H X TS+ 0 0 -70.6 -43.3 179.6 49.6 109.6 20.5 56 -1.9 64 -2.5 0 0.0 0 0.0 8 13
61 A 60 HIS H H H X TS+ 0 0 -62.7 -47.5 179.4 44.9 112.6 19.7 57 -2.0 65 -1.7 0 0.0 0 0.0 8 12
62 A 61 THR T H H < TS+ 0 0 -61.8 -39.9 -179.2 56.3 112.3 27.5 58 -2.1 0 0.0 0 0.0 0 0.0 7 11
63 A 62 SER S H H < TS+ 0 0 -56.0 -58.5 -177.3 38.2 111.3 16.8 59 -1.7 0 0.0 0 0.0 0 0.0 6 10
64 A 63 VAL V H H < T 0 0 -71.7 -21.4 -179.7 999.9 999.9 42.3 60 -2.5 0 0.0 0 0.0 0 0.0 5 9
65 A 64 SER S h < T 0 0 -75.9 999.9 999.9 999.9 999.9 55.1 61 -1.7 0 0.0 0 0.0 0 0.0 4 8
1fjlA.pdb
1FJL COMPLEX (DNA-BINDING PROTEIN/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHH SS HHHHHHHHHHHT HHHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality ---------+++++++++++++-+---++++++++++-+--+++++++++++++++++++++ chirality
bends SSSSSSSSSSSSS SS SSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHhSS hHHHHHHHHHHHhthHHHHHHHHHHHHHHHHHHHHHHh summary
sequence KQRRSRTTFSASQLDELERAFERTQYPDIYTREELAQRTNLTEARIQVWFQNRRARLRKQHTSVS sequence
10 20 30 40 50 60