Secondary structure calculation program - copyright by David Keith Smith, 1989
1lea-.pdb
1LEA TRANSCRIPTION REGULATION LEXA REPRESSOR DNA BINDING DOMAIN (ESCHERICHIA COLI)
Sequence length - 72
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 1 MET M 0 0 999.9 -65.2 175.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
2 2 LYS K - 0 0 -138.7 98.8 -171.9 -152.9 999.9 148.1 0 0.0 0 0.0 0 0.0 0 0.0 7 20
3 3 ALA A - 0 0 -83.1 133.8 -176.3 -146.8 3.9 123.4 0 0.0 0 0.0 0 0.0 0 0.0 6 24
4 4 LEU L - 0 0 -103.5 131.5 175.2 -124.6 14.3 145.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
5 5 THR T h > T - 0 0 -68.2 155.7 -171.2 -98.5 35.9 106.7 0 0.0 9 -2.8 0 0.0 0 0.0 6 26
6 6 ALA A H H > TS+ 0 0 -50.0 -49.1 177.0 39.9 117.9 35.2 0 0.0 10 -1.6 0 0.0 0 0.0 6 21
7 7 ARG R H H > TS+ 0 0 -75.0 -34.9 165.0 48.3 117.4 30.4 0 0.0 11 -1.6 0 0.0 0 0.0 7 30
8 8 GLN Q H H > TS+ 0 0 -65.2 -39.6 165.0 54.5 109.6 26.1 0 0.0 12 -2.5 0 0.0 0 0.0 12 42
9 9 GLN Q H H X TS+ 0 0 -57.4 -37.6 163.4 55.0 104.0 30.4 5 -2.8 13 -2.7 0 0.0 0 0.0 9 37
10 10 GLU E H H X TS+ 0 0 -57.0 -45.8 167.9 47.7 108.7 21.4 6 -1.6 14 -2.0 0 0.0 0 0.0 9 37
11 11 VAL V H H X TS+ 0 0 -56.6 -49.6 171.3 48.5 113.2 20.3 7 -1.6 15 -1.8 0 0.0 0 0.0 13 51
12 12 PHE F H H X TS+ 0 0 -56.7 -46.6 170.0 52.2 109.4 24.2 8 -2.5 16 -2.3 0 0.0 0 0.0 10 52
13 13 ASP D H H X TS+ 0 0 -58.4 -41.2 168.8 51.4 107.8 29.2 9 -2.7 17 -2.7 0 0.0 0 0.0 8 41
14 14 LEU L H H X TS+ 0 0 -62.4 -37.6 168.0 51.4 109.2 28.9 10 -2.0 18 -2.2 0 0.0 0 0.0 10 43
15 15 ILE I H H X TS+ 0 0 -58.9 -51.6 171.6 42.3 114.8 17.7 11 -1.8 19 -1.8 0 0.0 0 0.0 12 49
16 16 ARG R H H X TS+ 0 0 -60.7 -44.2 173.8 52.1 114.2 25.8 12 -2.3 20 -2.5 0 0.0 0 0.0 10 36
17 17 ASP D H H X TS+ 0 0 -60.4 -45.1 172.6 46.6 110.3 27.6 13 -2.7 21 -1.4 0 0.0 0 0.0 8 26
18 18 HIS H H H X TS+ 0 0 -67.5 -36.9 166.3 49.0 113.6 28.0 14 -2.2 22 -2.6 0 0.0 0 0.0 12 30
19 19 ILE I H H X TS+ 0 0 -62.0 -47.1 172.6 49.4 112.2 22.2 15 -1.8 23 -1.7 0 0.0 0 0.0 11 25
20 20 SER S H H < TS+ 0 0 -62.6 -29.5 172.6 36.4 120.3 40.4 16 -2.5 0 0.0 0 0.0 0 0.0 7 17
21 21 GLN Q H H < TS+ 0 0 -85.1 -46.4 -172.8 11.3 137.9 31.3 17 -1.4 0 0.0 0 0.0 0 0.0 6 13
22 22 THR T H H < TS- 0 0 -108.3 -18.9 -162.8 -119.2 89.7 54.2 18 -2.6 0 0.0 0 0.0 0 0.0 6 18
23 23 GLY G S h < TS+ 0 0 95.2 -45.8 -174.1 83.2 86.8 103.3 19 -1.7 0 0.0 0 0.0 0 0.0 7 18
24 24 MET M S S S- 0 0 -94.9 155.5 173.9 -107.5 81.7 125.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
25 25 PRO P - 0 0 -75.0 160.8 -176.9 -102.3 41.7 111.4 0 0.0 0 0.0 0 0.0 0 0.0 12 37
26 26 PRO P - 0 0 -83.2 163.4 168.8 -108.5 27.5 110.8 0 0.0 0 0.0 0 0.0 0 0.0 14 42
27 27 THR T h > T - 0 0 -74.2 156.8 167.2 -112.3 29.3 117.8 0 0.0 31 -2.1 0 0.0 0 0.0 9 43
28 28 ARG R H H > TS+ 0 0 -58.9 -30.6 163.7 57.4 121.1 35.7 0 0.0 32 -2.0 0 0.0 0 0.0 10 45
29 29 ALA A H H > TS+ 0 0 -62.2 -47.0 167.5 49.2 105.4 21.9 0 0.0 33 -2.7 0 0.0 0 0.0 7 31
30 30 GLU E H H > TS+ 0 0 -55.7 -43.8 172.0 51.3 110.5 25.6 0 0.0 34 -2.3 0 0.0 0 0.0 8 37
31 31 ILE I H H X TS+ 0 0 -59.7 -47.9 170.6 41.2 115.9 22.2 27 -2.1 35 -0.9 0 0.0 0 0.0 12 43
32 32 ALA A H H X >TS+ 0 0 -62.5 -45.8 -177.3 38.3 123.0 25.2 28 -2.0 37 -2.5 0 0.0 36 -0.6 14 32
33 33 GLN Q H H < 5TS+ 0 0 -77.1 -48.5 -177.3 43.4 117.5 23.9 29 -2.7 0 0.0 0 0.0 0 0.0 8 23
34 34 ARG R H H < 5TS+ 0 0 -72.1 -40.6 171.1 41.0 119.3 27.9 30 -2.3 0 0.0 0 0.0 0 0.0 6 29
35 35 LEU L H H < 5TS- 0 0 -77.5 -16.5 175.7 -109.8 117.5 50.6 31 -0.9 0 0.0 0 0.0 0 0.0 8 34
36 36 GLY G T h < 5T + 0 0 88.1 68.2 178.0 168.9 49.4 14.2 32 -0.6 0 0.0 0 0.0 0 0.0 6 22
37 37 PHE F t > TS- 0 0 -113.3 117.2 171.2 -148.7 74.0 166.0 0 0.0 42 -1.8 0 0.0 43 -0.8 7 19
40 40 PRO P H H > 3 TS+ 0 0 -52.7 -25.9 165.7 69.8 96.5 40.7 0 0.0 44 -2.1 0 0.0 0 0.0 10 25
41 41 ASN N H H > 3 TS+ 0 0 -59.6 -30.5 166.6 56.6 93.4 37.8 0 0.0 45 -2.2 0 0.0 0 0.0 6 24
42 42 ALA A H H > < TS+ 0 0 -65.6 -42.5 165.1 48.2 107.0 24.7 39 -1.8 46 -2.0 0 0.0 0 0.0 9 28
43 43 ALA A H H X TS+ 0 0 -57.0 -46.6 166.6 48.0 113.6 22.6 39 -0.8 47 -1.9 0 0.0 0 0.0 13 38
44 44 GLU E H H X TS+ 0 0 -57.5 -43.9 174.5 53.7 109.1 28.5 40 -2.1 48 -2.6 0 0.0 0 0.0 9 43
45 45 GLU E H H X TS+ 0 0 -62.2 -43.9 167.4 46.2 109.8 25.4 41 -2.2 49 -2.3 0 0.0 0 0.0 8 32
46 46 HIS H H H X TS+ 0 0 -62.9 -39.9 166.2 51.8 112.5 27.1 42 -2.0 50 -1.7 0 0.0 0 0.0 11 43
47 47 LEU L H H X TS+ 0 0 -57.3 -47.3 167.5 49.5 109.6 22.1 43 -1.9 51 -1.9 0 0.0 0 0.0 11 52
48 48 LYS K H H X TS+ 0 0 -55.3 -48.0 168.9 53.8 108.1 21.6 44 -2.6 52 -2.8 0 0.0 0 0.0 8 37
49 49 ALA A H H X TS+ 0 0 -55.3 -37.2 166.9 52.6 106.6 33.3 45 -2.3 53 -1.7 0 0.0 0 0.0 9 31
50 50 LEU L H H X >TS+ 0 0 -61.0 -49.3 170.7 42.6 113.6 20.9 46 -1.7 55 -2.0 0 0.0 54 -1.7 13 42
51 51 ALA A H H < 5TS+ 0 0 -61.9 -43.2 174.4 53.5 112.6 25.7 47 -1.9 0 0.0 0 0.0 0 0.0 11 33
52 52 ARG R H H < 5TS+ 0 0 -62.7 -38.8 166.9 45.3 111.2 32.2 48 -2.8 0 0.0 0 0.0 0 0.0 6 28
53 53 LYS K H H < 5TS- 0 0 -68.2 -38.8 173.2 -105.3 123.6 31.3 49 -1.7 0 0.0 0 0.0 0 0.0 7 27
54 54 GLY G T h < 5TS+ 0 0 120.4 38.4 -179.2 108.3 85.6 42.6 50 -1.7 0 0.0 0 0.0 0 0.0 9 27
55 55 VAL V S e T - 0 0 -79.5 92.8 -163.9 -147.5 16.9 127.8 65 -2.0 62 -1.0 57 -0.9 61 -0.8 8 26
60 60 SER S T T 3 TS+ 0 0 -80.8 101.4 -161.1 30.9 81.0 120.6 58 -1.3 0 0.0 0 0.0 0 0.0 5 19
61 61 GLY G T T 3 TS+ 0 0 139.8 -53.2 172.7 90.8 96.0 102.1 59 -0.8 0 0.0 0 0.0 0 0.0 5 14
62 62 ALA A t < T - 0 0 -78.0 123.4 -179.1 -148.3 65.8 134.4 59 -1.0 0 0.0 0 0.0 0 0.0 6 16
63 63 SER S S S S+ 0 0 -60.3 -52.2 162.7 37.4 100.1 21.1 0 0.0 65 -1.0 0 0.0 0 0.0 7 23
64 64 ARG R S S S+ 0 0 -91.5 82.7 -170.5 129.4 93.0 138.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
65 65 GLY G e + 0 0 -145.7 72.2 176.8 120.3 10.2 121.6 63 -1.0 59 -2.0 0 0.0 0 0.0 12 34
66 66 ILE I E E AA - 58 0 -136.0 102.6 -178.0 -153.9 44.1 153.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
67 67 ARG R E E AA - 57 0 -85.7 128.9 -177.0 -128.6 15.6 130.8 57 -2.2 57 -2.2 0 0.0 0 0.0 9 39
68 68 LEU L E E AA + 56 0 -80.4 120.8 -172.4 155.2 40.7 129.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
69 69 LEU L e - 0 0 -112.6 -51.8 -165.7 -14.5 49.3 34.8 55 -2.2 0 0.0 0 0.0 0 0.0 8 29
70 70 GLN Q + 0 0 -152.4 162.3 161.2 165.6 36.4 162.3 55 -1.5 0 0.0 0 0.0 0 0.0 7 27
71 71 GLU E 0 0 -145.2 -97.3 178.0 999.9 999.9 98.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
72 72 GLU E 0 0 62.8 999.9 999.9 999.9 999.9 97.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
1lea-.pdb
1LEA TRANSCRIPTION REGULATION LEXA REPRESSOR DNA BINDING DOMAIN (ESCHERICHIA COLI)
author author
Kabs/Sand HHHHHHHHHHHHHHHHHSS HHHHHHHHT SSHHHHHHHHHHHHHHTSEEE TT SS EEE Kabs/Sand
chirality ----++++++++++++++++-+----+++++++-+-+-+++++++++++++-++----++-+++--+-+ chirality
bends SSSSSSSSSSSSSSSSSSS SSSSSSSS SSSSSSSSSSSSSSSSSS SS SS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >>>>XX<<<< >>>>XXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHhS hHHHHHHHHhtShHHHHHHHHHHHHHHheEEEeTTtSSeEEEe summary
sequence MKALTARQQEVFDLIRDHISQTGMPPTRAEIAQRLGFRSPNAAEEHLKALARKGVIEIVSGASRGIRLLQEE sequence
10 20 30 40 50 60 70