Secondary structure calculation program - copyright by David Keith Smith, 1989
1bc8C.pdb
1BC8 COMPLEX (DNA-BINDING PROTEIN/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 93
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 C 1 MET M 0 0 999.9 58.4 179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 10
2 C 2 ASP D - 0 0 -95.6 -174.0 178.6 -71.6 999.9 104.2 0 0.0 0 0.0 0 0.0 0 0.0 6 16
3 C 3 SER S - 0 0 -83.4 135.8 179.7 -146.8 28.7 132.1 48 -1.2 0 0.0 0 0.0 0 0.0 6 19
4 C 4 ALA A + 0 0 -80.7 5.5 -179.4 136.6 56.5 69.0 0 0.0 0 0.0 0 0.0 0 0.0 4 18
5 C 5 ILE I - 0 0 -56.9 142.0 178.9 -131.3 53.0 102.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
6 C 6 THR T h > T - 0 0 -87.6 162.0 -179.7 -115.5 20.4 119.2 0 0.0 10 -1.9 0 0.0 0 0.0 6 31
7 C 7 LEU L H H > TS+ 0 0 -70.3 -39.9 -179.8 47.3 116.6 24.1 0 0.0 11 -2.0 0 0.0 0 0.0 8 50
8 C 8 TRP W H H > TS+ 0 0 -71.1 -22.4 179.3 50.2 113.5 37.1 0 0.0 12 -1.5 0 0.0 0 0.0 7 54
9 C 9 GLN Q H H > TS+ 0 0 -79.2 -35.2 179.7 52.6 108.2 32.8 0 0.0 13 -1.8 0 0.0 0 0.0 8 40
10 C 10 PHE F H H X TS+ 0 0 -66.4 -39.2 179.3 48.6 109.6 29.1 6 -1.9 14 -2.0 0 0.0 0 0.0 10 44
11 C 11 LEU L H H X TS+ 0 0 -67.0 -42.4 178.7 52.2 109.8 23.6 7 -2.0 15 -2.4 0 0.0 0 0.0 8 62
12 C 12 LEU L H H < TS+ 0 0 -60.9 -35.1 179.6 53.8 107.7 31.6 8 -1.5 0 0.0 0 0.0 0 0.0 8 47
13 C 13 GLN Q H H X > TS+ 0 0 -66.7 -45.5 179.4 45.2 109.5 21.1 9 -1.8 16 -1.1 0 0.0 17 -0.6 8 35
14 C 14 LEU L H H < > TS+ 0 0 -64.3 -38.1 -179.7 58.2 108.6 29.0 10 -2.0 17 -0.9 0 0.0 0 0.0 10 38
15 C 15 LEU L T h < 3 TS+ 0 0 -68.0 -12.2 -179.4 58.7 100.5 52.5 11 -2.4 0 0.0 0 0.0 0 0.0 12 42
16 C 16 GLN Q T G 4 < TS+ 0 0 -90.8 -19.8 -178.5 70.7 95.7 46.4 13 -1.1 0 0.0 0 0.0 0 0.0 6 29
17 C 17 LYS K g < X T - 0 0 -107.6 123.4 -180.0 -149.8 67.8 150.9 14 -0.9 20 -2.3 13 -0.6 0 0.0 8 20
18 C 18 PRO P G G > TS+ 0 0 -54.3 -30.9 -179.6 74.2 94.5 37.2 0 0.0 21 -2.0 0 0.0 0 0.0 6 19
19 C 19 GLN Q G G 3 TS+ 0 0 -56.4 -24.0 -178.6 43.5 100.0 43.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
20 C 20 ASN N G G > X TS+ 0 0 -106.2 7.0 -179.8 102.5 79.8 72.5 17 -2.3 24 -2.3 0 0.0 23 -1.6 10 30
21 C 21 LYS K T g 4 < TS+ 0 0 -59.4 -30.9 179.9 61.6 76.8 35.5 18 -2.0 0 0.0 0 0.0 0 0.0 10 29
22 C 22 HIS H T T 4 3 TS+ 0 0 -69.9 -19.2 -179.9 32.0 115.1 44.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
23 C 23 MET M T T 4 < TS+ 0 0 -109.5 -23.1 178.4 13.1 134.8 48.0 20 -1.6 37 -2.2 0 0.0 0 0.0 11 36
24 C 24 ILE I S t < TS+ 0 0 -155.9 123.8 -177.8 168.8 71.0 155.7 20 -2.3 0 0.0 0 0.0 0 0.0 15 45
25 C 25 CYS C E E AA - 34 0 -138.1 158.1 178.3 -104.2 37.8 160.7 34 -2.0 34 -2.6 0 0.0 0 0.0 12 37
26 C 26 TRP W E E AA - 33 0 -79.0 140.9 179.7 -175.3 26.1 127.8 0 0.0 0 0.0 0 0.0 0 0.0 10 39
27 C 27 THR T e + 0 0 -118.7 5.8 178.5 25.0 67.5 74.4 32 -2.6 0 0.0 0 0.0 0 0.0 7 32
28 C 28 SER S S S S- 0 0 -157.9 170.2 178.7 -117.4 73.4 163.5 32 -1.0 0 0.0 0 0.0 0 0.0 7 25
29 C 29 ASN N S S S+ 0 0 -102.1 23.5 178.5 60.3 106.2 88.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
30 C 30 ASP D S S S- 0 0 -139.1 29.7 177.6 -69.0 128.2 86.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
31 C 31 GLY G S e S+ 0 0 105.7 -9.0 -179.3 136.3 84.3 71.5 0 0.0 84 -2.0 0 0.0 0 0.0 12 36
32 C 32 GLN Q E E A B + 0 83 -76.6 135.8 -179.7 168.1 24.7 121.4 0 0.0 27 -2.6 0 0.0 28 -1.0 13 41
33 C 33 PHE F E E AAB - 26 82 -144.9 162.0 -179.2 -142.1 22.9 163.1 82 -2.7 82 -2.7 0 0.0 0 0.0 13 50
34 C 34 LYS K E E AAB - 25 81 -133.9 133.3 178.4 -134.8 15.7 173.2 25 -2.6 25 -2.0 0 0.0 36 -1.6 11 45
35 C 35 LEU L e > T + 0 0 -83.7 86.9 -179.4 176.8 27.4 131.8 80 -2.5 38 -0.8 0 0.0 0 0.0 11 51
36 C 36 LEU L T T 3 TS+ 0 0 -58.5 -41.3 179.2 27.4 84.5 27.7 34 -1.6 0 0.0 0 0.0 0 0.0 9 32
37 C 37 GLN Q T h > 3 TS+ 0 0 -124.0 77.6 -177.5 172.7 77.8 137.0 23 -2.2 41 -2.3 0 0.0 0 0.0 9 32
38 C 38 ALA A H H > < TS+ 0 0 -55.5 -45.6 179.1 45.4 77.5 32.7 35 -0.8 42 -1.9 0 0.0 0 0.0 11 40
39 C 39 GLU E H H > TS+ 0 0 -71.6 -31.2 178.9 53.5 111.8 35.6 0 0.0 43 -2.0 0 0.0 0 0.0 8 32
40 C 40 GLU E H H > TS+ 0 0 -69.4 -41.0 178.6 47.4 109.6 22.9 0 0.0 44 -1.9 0 0.0 0 0.0 8 36
41 C 41 VAL V H H X TS+ 0 0 -64.1 -39.1 -179.3 52.5 111.9 26.2 37 -2.3 45 -1.8 0 0.0 0 0.0 12 50
42 C 42 ALA A H H X TS+ 0 0 -65.1 -40.1 179.2 49.6 107.4 29.0 38 -1.9 46 -2.3 0 0.0 0 0.0 12 43
43 C 43 ARG R H H X TS+ 0 0 -65.4 -39.6 179.6 51.5 110.6 24.9 39 -2.0 47 -1.9 0 0.0 0 0.0 12 32
44 C 44 LEU L H H X TS+ 0 0 -63.9 -36.9 179.5 49.7 109.9 31.4 40 -1.9 48 -1.8 0 0.0 0 0.0 8 45
45 C 45 TRP W H H X TS+ 0 0 -69.8 -40.8 179.0 51.4 109.3 26.7 41 -1.8 49 -2.5 0 0.0 0 0.0 12 44
46 C 46 GLY G H H X >TS+ 0 0 -65.8 -33.7 179.2 51.2 108.5 32.1 42 -2.3 51 -3.0 0 0.0 50 -0.9 13 35
47 C 47 ILE I H H < 5TS+ 0 0 -68.0 -42.9 180.0 48.5 111.5 21.8 43 -1.9 0 0.0 0 0.0 0 0.0 9 28
48 C 48 ARG R H H < 5TS+ 0 0 -63.0 -42.6 -178.9 34.1 121.3 26.4 44 -1.8 3 -1.2 0 0.0 0 0.0 9 30
49 C 49 LYS K H H < 5TS- 0 0 -93.6 -1.9 -179.8 -115.7 112.1 63.7 45 -2.5 0 0.0 0 0.0 0 0.0 8 28
50 C 50 ASN N T h < 5TS+ 0 0 69.2 39.8 178.8 134.9 71.2 27.7 46 -0.9 0 0.0 0 0.0 0 0.0 7 23
51 C 51 LYS K t > T - 0 0 -145.3 177.9 -178.6 -91.4 54.1 151.2 0 0.0 59 -2.2 0 0.0 0 0.0 10 30
56 C 56 TYR Y H H > TS+ 0 0 -65.9 -29.3 179.4 65.4 118.1 35.8 0 0.0 60 -2.8 0 0.0 0 0.0 10 35
57 C 57 ASP D H H > TS+ 0 0 -54.9 -56.9 -179.5 32.7 112.0 13.5 0 0.0 61 -1.1 0 0.0 0 0.0 6 27
58 C 58 LYS K H H > TS+ 0 0 -71.7 -33.5 178.8 56.0 116.6 35.1 0 0.0 62 -1.6 0 0.0 0 0.0 8 27
59 C 59 LEU L H H X TS+ 0 0 -64.5 -42.5 179.4 51.7 106.5 21.4 55 -2.2 63 -1.9 0 0.0 0 0.0 10 45
60 C 60 SER S H H X TS+ 0 0 -62.4 -33.5 178.9 57.2 104.2 31.9 56 -2.8 64 -2.5 0 0.0 0 0.0 8 44
61 C 61 ARG R H H X TS+ 0 0 -64.2 -38.1 178.4 49.8 106.5 24.7 57 -1.1 65 -1.2 0 0.0 0 0.0 8 28
62 C 62 ALA A H H X TS+ 0 0 -65.7 -36.9 178.8 51.1 109.5 30.4 58 -1.6 66 -0.6 0 0.0 0 0.0 9 37
63 C 63 LEU L H H < > TS+ 0 0 -67.0 -38.5 -179.3 56.9 105.2 25.4 59 -1.9 66 -1.3 0 0.0 0 0.0 10 44
64 C 64 ARG R H H X > TS+ 0 0 -63.1 -28.2 178.2 58.9 99.5 35.8 60 -2.5 67 -0.9 0 0.0 68 -0.6 9 28
65 C 65 TYR Y H H X 3 TS+ 0 0 -71.5 -21.0 180.0 62.8 96.9 42.3 61 -1.2 69 -1.0 0 0.0 0 0.0 8 24
66 C 66 TYR Y H H X <>TS+ 0 0 -76.8 -17.2 -179.9 73.1 86.5 47.6 63 -1.3 71 -2.1 62 -0.6 70 -1.0 11 30
67 C 67 TYR Y H H 4 <5TS+ 0 0 -61.2 -44.2 -180.0 43.2 100.9 22.8 64 -0.9 0 0.0 0 0.0 0 0.0 11 25
68 C 68 VAL V H H < 5TS+ 0 0 -66.9 -40.6 -179.6 50.2 114.3 28.9 64 -0.6 0 0.0 0 0.0 0 0.0 7 19
69 C 69 LYS K H H < 5TS- 0 0 -74.7 -12.6 -179.7 -129.3 107.1 53.2 65 -1.0 0 0.0 0 0.0 0 0.0 7 21
70 C 70 ASN N T h < 5TS+ 0 0 65.0 35.6 178.9 115.7 76.9 31.2 66 -1.0 0 0.0 0 0.0 0 0.0 8 26
71 C 71 ILE I S e T - 0 0 -90.9 106.8 -177.2 -122.4 40.0 149.2 81 -1.9 78 -1.2 0 0.0 0 0.0 9 30
76 C 76 ASN N T T 3 TS+ 0 0 -56.2 134.4 178.3 6.5 83.3 102.3 74 -1.0 0 0.0 0 0.0 0 0.0 4 20
77 C 77 GLY G T T 3 TS+ 0 0 67.5 26.1 179.5 106.0 101.1 42.3 0 0.0 0 0.0 0 0.0 0 0.0 4 13
78 C 78 GLN Q S t X TS- 0 0 -139.1 93.3 -179.0 -128.1 71.2 143.1 75 -1.2 81 -2.3 0 0.0 0 0.0 6 19
79 C 79 LYS K T T 3 TS- 0 0 -44.0 131.8 178.9 -0.8 87.6 92.9 0 0.0 0 0.0 0 0.0 0 0.0 4 26
80 C 80 PHE F T e 3 TS+ 0 0 64.1 6.7 -179.7 127.9 100.9 61.8 0 0.0 35 -2.5 0 0.0 0 0.0 8 41
81 C 81 VAL V E E AB < T + 34 0 -100.1 131.4 -179.4 163.0 28.0 144.5 78 -2.3 75 -1.9 0 0.0 0 0.0 11 40
82 C 82 TYR Y E E ABC - 33 74 -134.3 174.3 -179.5 -137.6 23.6 143.4 33 -2.7 33 -2.7 0 0.0 0 0.0 11 49
83 C 83 LYS K E E ABC - 32 73 -144.4 134.6 177.6 -126.7 15.8 174.0 73 -2.5 73 -2.5 0 0.0 85 -0.6 11 46
84 C 84 PHE F E E A C> T - 0 72 -76.7 121.6 -178.7 -141.7 24.7 133.3 31 -2.0 87 -0.7 0 0.0 0 0.0 12 46
85 C 85 VAL V T e 3 TS+ 0 0 -50.7 -52.9 179.6 12.1 91.0 21.5 71 -1.8 0 0.0 83 -0.6 0 0.0 9 35
86 C 86 SER S T T > 3 TS- 0 0 -133.3 82.9 178.3 -163.6 86.4 134.7 0 0.0 90 -1.9 0 0.0 0 0.0 8 30
87 C 87 TYR Y T T 4 < TS+ 0 0 -105.3 132.9 0.1 8.3 75.6 156.0 84 -0.7 0 0.0 0 0.0 0 0.0 9 31
88 C 88 PRO P T g > > TS+ 0 0 -95.0 16.8 179.8 79.6 112.7 155.7 0 0.0 91 -2.9 0 0.0 92 -0.5 7 27
89 C 89 GLU E G G 4 > TS+ 0 0 -49.2 -36.3 -179.2 63.2 88.8 31.9 0 0.0 92 -1.3 0 0.0 0 0.0 7 20
90 C 90 ILE I G G < 3 TS+ 0 0 -68.6 -5.8 -179.9 58.6 97.5 57.1 86 -1.9 0 0.0 0 0.0 0 0.0 7 27
91 C 91 LEU L G G 4 < TS+ 0 0 -101.1 -12.2 175.6 54.4 99.6 55.6 88 -2.9 0 0.0 0 0.0 0 0.0 6 24
92 C 92 ASN N g < < T 0 0 -118.9 74.7 179.0 999.9 999.9 133.3 89 -1.3 0 0.0 88 -0.5 0 0.0 5 10
93 C 93 MET M 0 0 -73.3 999.9 999.9 999.9 999.9 35.4 0 0.0 0 0.0 0 0.0 0 0.0 4 9
1bc8C.pdb
1BC8 COMPLEX (DNA-BINDING PROTEIN/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHTT GGGTTTSEE SSSSEEE TTHHHHHHHHHHHHT TT HHHHHHHHHHHHHHTSEEE TTSTTEEEETTTTGGG Kabs/Sand
chirality --+--++++++++++-+++++++--+-+-++--++++++++++++++-+-+++-+++++++++++++-++----++--++---+-+++++ chirality
bends SSSSSSSSSS SSSSSSS SSSS SSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSS SSSSS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>33X<3< >33< >33< >>3<< >33X33< >33<>>3<< 3-turns
bridge-2 BBB CCC bridge-2
bridge-1 AA AA CCC BBB bridge-1
sheets AA AAA AAA AAAA sheets
4-turns >>>>XX444< >>>>XXXXXX<<<< >>>>XXXX4>4<4< 4-turns
summary hHHHHHHHHhGgGGGgTTtEEeSSSeEEEeThHHHHHHHHHHHHhtTTthHHHHHHHHHHHHHHheEEEeTTtTeEEEEeTTgGGGg summary
sequence MDSAITLWQFLLQLLQKPQNKHMICWTSNDGQFKLLQAEEVARLWGIRKNKPNMNYDKLSRALRYYYVKNIIKKVNGQKFVYKFVSYPEILNM sequence
10 20 30 40 50 60 70 80 90