Secondary structure calculation program - copyright by David Keith Smith, 1989
1ig6A.pdb
1IG6 DNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 107
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 1 ARG R h > T 0 0 999.9 -62.3 -169.4 999.9 999.9 999.9 0 0.0 5 -2.3 0 0.0 0 0.0 5 16
2 A 2 ALA A H H > T + 0 0 -65.2 -36.9 178.3 48.9 999.9 30.4 0 0.0 6 -2.6 0 0.0 0 0.0 5 15
3 A 3 ASP D H H > TS+ 0 0 -73.4 -30.9 173.7 51.6 110.3 32.1 0 0.0 7 -2.7 0 0.0 0 0.0 6 22
4 A 4 GLU E H H > TS+ 0 0 -68.1 -45.9 175.2 46.5 112.5 17.3 0 0.0 8 -1.9 0 0.0 0 0.0 8 32
5 A 5 GLN Q H H X TS+ 0 0 -60.3 -46.3 174.4 49.1 113.3 18.2 1 -2.3 9 -1.8 0 0.0 0 0.0 9 25
6 A 6 ALA A H H X TS+ 0 0 -56.6 -48.6 178.8 45.3 114.1 19.0 2 -2.6 10 -2.2 0 0.0 0 0.0 8 23
7 A 7 PHE F H H X TS+ 0 0 -74.6 -14.6 171.4 51.1 112.6 43.5 3 -2.7 11 -1.7 0 0.0 0 0.0 8 32
8 A 8 LEU L H H X TS+ 0 0 -93.3 -15.9 166.8 52.6 107.4 45.9 4 -1.9 12 -2.3 0 0.0 0 0.0 10 42
9 A 9 VAL V H H X TS+ 0 0 -74.9 -38.0 169.7 48.4 110.9 28.5 5 -1.8 13 -2.3 0 0.0 0 0.0 8 30
10 A 10 ALA A H H X TS+ 0 0 -62.8 -45.2 169.6 45.6 113.9 19.8 6 -2.2 14 -2.5 0 0.0 0 0.0 8 29
11 A 11 LEU L H H X TS+ 0 0 -60.5 -43.6 178.9 58.9 107.4 22.6 7 -1.7 15 -3.6 0 0.0 0 0.0 10 38
12 A 12 TYR Y H H X TS+ 0 0 -53.7 -45.2 171.8 44.2 109.3 23.0 8 -2.3 16 -2.2 0 0.0 0 0.0 10 35
13 A 13 LYS K H H X TS+ 0 0 -61.0 -55.6 177.9 44.9 117.0 12.2 9 -2.3 17 -2.3 0 0.0 0 0.0 9 25
14 A 14 TYR Y H H < TS+ 0 0 -56.6 -40.8 -178.3 46.9 115.3 27.9 10 -2.5 0 0.0 0 0.0 0 0.0 8 23
15 A 15 MET M H H < >>TS+ 0 0 -76.0 -30.7 168.0 53.5 109.3 31.2 11 -3.6 20 -2.7 0 0.0 18 -1.1 11 27
16 A 16 LYS K H H < >5TS+ 0 0 -64.5 -37.8 169.4 52.9 107.1 22.5 12 -2.2 19 -1.4 0 0.0 0 0.0 10 22
17 A 17 GLU E T h < 35TS+ 0 0 -71.6 -0.2 174.2 53.5 107.7 62.5 13 -2.3 0 0.0 0 0.0 0 0.0 8 19
18 A 18 ARG R T T <5TS- 0 0 -119.1 20.9 176.0 -108.1 120.0 84.6 15 -1.1 0 0.0 0 0.0 0 0.0 7 19
19 A 19 LYS K T T <5TS+ 0 0 63.1 22.5 -176.2 97.4 99.4 48.1 16 -1.4 0 0.0 0 0.0 0 0.0 6 16
20 A 20 THR T t T - 0 0 -66.4 160.2 168.9 -112.1 51.7 106.6 0 0.0 24 -2.3 0 0.0 0 0.0 12 28
22 A 22 ILE I G G > TS+ 0 0 -60.0 -22.4 168.4 83.1 113.1 37.3 0 0.0 25 -2.5 0 0.0 0 0.0 9 36
23 A 23 GLU E G G 3 TS+ 0 0 -54.6 -12.7 170.4 43.6 93.9 51.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
24 A 24 ARG R G G < TS+ 0 0 -113.0 12.1 -177.3 70.2 103.4 77.9 21 -2.3 0 0.0 0 0.0 0 0.0 6 26
25 A 25 ILE I g < T + 0 0 -128.7 75.0 -167.4 162.8 58.9 139.7 22 -2.5 0 0.0 0 0.0 0 0.0 8 35
26 A 26 PRO P + 0 0 -78.9 -20.0 -168.9 31.9 50.8 47.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
27 A 27 TYR Y - 0 0 -147.1 148.4 167.5 -145.9 49.0 170.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
28 A 28 LEU L S S S- 0 0 -64.4 -71.6 167.6 -79.8 79.6 9.6 31 -2.5 0 0.0 0 0.0 0 0.0 13 45
29 A 29 GLY G S S S+ 0 0 -166.0 -27.4 172.7 16.0 120.9 76.0 0 0.0 0 0.0 0 0.0 0 0.0 12 37
30 A 30 PHE F S S S+ 0 0 -125.9 2.4 -170.0 22.4 132.8 76.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
31 A 31 LYS K S S S- 0 0 -157.4 170.6 169.5 -58.0 100.6 155.8 0 0.0 28 -2.5 0 0.0 0 0.0 6 29
32 A 32 GLN Q S S S- 0 0 -51.0 153.0 168.2 -75.3 75.2 101.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
33 A 33 ILE I + 0 0 -50.4 135.9 -176.7 179.2 47.7 108.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
34 A 34 ASN N h > > T + 0 0 -141.3 52.0 -166.9 170.6 9.1 119.4 0 0.0 38 -1.6 0 0.0 37 -1.4 7 44
35 A 35 LEU L H H > 3 T + 0 0 -45.4 -54.2 179.8 56.5 68.5 35.9 0 0.0 39 -2.9 0 0.0 0 0.0 9 55
36 A 36 TRP W H H > 3 TS+ 0 0 -50.4 -34.9 178.7 46.3 112.5 34.5 0 0.0 40 -2.2 0 0.0 0 0.0 9 44
37 A 37 THR T H H > < TS+ 0 0 -77.4 -49.4 174.1 45.8 112.4 20.1 34 -1.4 41 -2.4 0 0.0 0 0.0 8 46
38 A 38 MET M H H X TS+ 0 0 -63.2 -29.9 171.9 53.8 114.4 31.2 34 -1.6 42 -2.6 0 0.0 0 0.0 10 53
39 A 39 PHE F H H X TS+ 0 0 -64.0 -60.3 180.0 41.3 110.5 9.1 35 -2.9 43 -2.6 0 0.0 0 0.0 9 53
40 A 40 GLN Q H H X TS+ 0 0 -62.7 -28.3 169.4 53.8 115.6 32.2 36 -2.2 44 -1.2 0 0.0 0 0.0 8 43
41 A 41 ALA A H H X > TS+ 0 0 -63.1 -52.4 174.9 46.0 109.8 14.0 37 -2.4 45 -2.8 0 0.0 44 -0.7 11 42
42 A 42 ALA A H H < 3>TS+ 0 0 -57.2 -38.3 178.8 55.5 109.6 27.8 38 -2.6 47 -2.2 0 0.0 0 0.0 13 49
43 A 43 GLN Q H H < 35TS+ 0 0 -69.5 -24.2 171.3 45.1 110.7 38.3 39 -2.6 0 0.0 0 0.0 0 0.0 9 41
44 A 44 LYS K H H < <5TS+ 0 0 -79.3 -46.0 173.3 53.3 110.4 23.0 40 -1.2 0 0.0 41 -0.7 0 0.0 7 26
45 A 45 LEU L T h < 5TS- 0 0 -72.9 12.9 167.3 -82.6 137.4 74.3 41 -2.8 0 0.0 0 0.0 0 0.0 11 31
46 A 46 GLY G T h > 5T - 0 0 103.6 24.8 -169.9 -84.2 67.4 43.5 0 0.0 50 -1.9 0 0.0 0 0.0 9 30
47 A 47 GLY G H H > TS+ 0 0 -52.8 -21.8 -176.5 64.4 134.7 43.1 0 0.0 52 -2.1 0 0.0 0 0.0 9 44
49 A 49 GLU E H H > TS+ 0 0 -77.4 -47.3 169.8 38.6 105.4 16.9 0 0.0 53 -2.4 0 0.0 0 0.0 7 29
50 A 50 THR T H H X TS+ 0 0 -64.4 -36.8 173.5 57.9 115.4 25.5 46 -1.9 54 -1.6 0 0.0 0 0.0 11 25
51 A 51 ILE I H H X >TS+ 0 0 -56.1 -45.3 179.6 41.8 110.0 23.7 47 -2.2 55 -2.3 0 0.0 56 -0.7 13 36
52 A 52 THR T H H < 5TS+ 0 0 -73.5 -36.2 175.4 49.7 115.8 27.5 48 -2.1 0 0.0 0 0.0 0 0.0 8 26
53 A 53 ALA A H H < 5TS+ 0 0 -69.3 -22.5 -169.3 16.8 130.9 44.2 49 -2.4 0 0.0 0 0.0 0 0.0 6 18
54 A 54 ARG R H H < 5TS- 0 0 -132.2 -6.8 -169.0 -117.1 93.5 61.0 50 -1.6 0 0.0 0 0.0 0 0.0 6 21
55 A 55 ARG R T h < >5T + 0 0 51.9 55.6 -172.6 168.1 50.4 16.7 51 -2.3 58 -0.8 0 0.0 0 0.0 8 32
56 A 56 GLN Q T h > > 3 TS+ 0 0 -54.1 -31.0 172.2 69.1 71.4 33.6 0 0.0 61 -2.9 0 0.0 0 0.0 11 44
58 A 58 LYS K H H 4 < TS+ 0 0 -58.6 -23.9 172.7 42.3 104.5 38.6 55 -0.8 0 0.0 0 0.0 0 0.0 10 40
59 A 59 HIS H H H > < TS+ 0 0 -96.5 -18.0 167.0 59.8 106.3 50.4 56 -2.2 63 -2.1 0 0.0 0 0.0 8 39
60 A 60 ILE I H H X TS+ 0 0 -67.2 -43.5 169.0 53.5 103.5 17.7 56 -1.1 64 -2.9 0 0.0 0 0.0 13 47
61 A 61 TYR Y H H X >TS+ 0 0 -53.1 -31.4 173.0 55.6 105.3 35.4 57 -2.9 66 -1.5 0 0.0 65 -0.9 11 42
62 A 62 ASP D H H 4 >5TS+ 0 0 -67.0 -50.7 172.1 42.0 110.1 15.6 0 0.0 65 -0.6 0 0.0 0 0.0 8 35
63 A 63 GLU E H H < 35TS+ 0 0 -62.8 -35.6 173.0 53.6 114.0 30.3 59 -2.1 0 0.0 0 0.0 0 0.0 7 35
64 A 64 LEU L H H < 35TS- 0 0 -63.6 -26.8 -169.3 -144.3 96.2 42.2 60 -2.9 0 0.0 0 0.0 0 0.0 9 41
65 A 65 GLY G T h < <5T - 0 0 56.7 36.3 -169.2 -167.5 37.2 28.8 61 -0.9 0 0.0 62 -0.6 0 0.0 6 28
66 A 66 GLY G t T - 0 0 -52.3 134.0 178.2 -115.8 48.2 99.6 0 0.0 69 -2.4 0 0.0 70 -1.1 6 24
68 A 68 PRO P T T 3 TS+ 0 0 -73.1 67.9 -178.8 38.9 110.6 113.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18
69 A 69 GLY G T T 3 TS+ 0 0 161.1 28.1 -170.0 93.2 88.8 69.9 67 -2.4 0 0.0 0 0.0 0 0.0 4 18
70 A 70 SER S t X T + 0 0 -141.9 48.2 173.6 146.8 26.0 109.9 67 -1.1 73 -1.5 0 0.0 0 0.0 9 26
71 A 71 THR T T T 3 TS+ 0 0 -58.5 -21.2 168.9 67.0 76.0 43.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
72 A 72 SER S T T > 3 TS+ 0 0 -66.9 -31.1 170.0 91.9 83.8 37.6 0 0.0 76 -3.0 0 0.0 0 0.0 7 29
73 A 73 ALA A T T 4 < TS+ 0 0 -61.3 156.6 -167.3 19.4 92.1 105.7 70 -1.5 75 -2.1 0 0.0 0 0.0 12 41
74 A 74 ALA A T T > TS+ 0 0 64.9 -45.0 176.6 64.0 122.7 107.1 0 0.0 78 -1.1 0 0.0 0 0.0 13 51
75 A 75 THR T T T 4 > TS+ 0 0 -69.0 -47.0 170.3 35.0 110.0 17.4 73 -2.1 78 -0.5 0 0.0 0 0.0 10 40
76 A 76 CYS C T h X > TS+ 0 0 -70.3 -33.1 174.3 70.5 108.2 31.3 72 -3.0 79 -1.7 0 0.0 80 -0.7 9 40
77 A 77 THR T H H > > TS+ 0 0 -54.1 -27.6 172.9 70.5 83.7 38.0 0 0.0 81 -2.9 0 0.0 80 -0.6 10 52
78 A 78 ARG R H H X < TS+ 0 0 -54.1 -39.1 -176.2 52.7 96.1 28.0 74 -1.1 82 -2.0 75 -0.5 0 0.0 9 49
79 A 79 ARG R H H 4 < TS+ 0 0 -74.7 -25.6 169.8 44.0 112.0 39.9 76 -1.7 0 0.0 0 0.0 0 0.0 8 35
80 A 80 HIS H H H X X TS+ 0 0 -76.2 -50.4 -178.8 52.2 112.1 20.7 76 -0.7 83 -2.0 77 -0.6 84 -1.4 10 46
81 A 81 TYR Y H H X 3>TS+ 0 0 -56.0 -37.8 -177.3 64.1 99.1 32.0 77 -2.9 86 -2.7 0 0.0 85 -2.0 9 54
82 A 82 GLU E H H < 35TS+ 0 0 -70.8 -5.9 169.6 24.4 119.9 57.2 78 -2.0 0 0.0 0 0.0 0 0.0 9 38
83 A 83 ARG R H H 4 <5TS+ 0 0 -125.0 -7.1 -169.2 53.5 122.8 64.1 80 -2.0 0 0.0 0 0.0 0 0.0 8 42
84 A 84 LEU L H H < 5TS- 0 0 -116.0 -10.1 168.1 -9.7 133.4 58.2 80 -1.4 0 0.0 0 0.0 0 0.0 11 52
85 A 85 ILE I T h X >5TS+ 0 0 -158.0 -21.9 167.7 83.5 112.0 68.3 81 -2.0 89 -3.2 0 0.0 88 -1.4 11 51
86 A 86 LEU L T T 4 3 X TS+ 0 0 -107.6 -29.1 167.6 68.3 96.9 37.6 85 -1.4 91 -2.2 0 0.0 92 -0.6 9 39
89 A 89 GLU E H H X 3 TS+ 0 0 -57.8 -14.9 169.5 87.0 82.5 42.5 85 -3.2 93 -2.9 0 0.0 0 0.0 8 39
90 A 90 ARG R H H > 3 TS+ 0 0 -51.7 -34.2 172.1 49.4 85.8 34.5 0 0.0 94 -0.6 0 0.0 0 0.0 9 27
91 A 91 PHE F H H > < TS+ 0 0 -75.3 -28.7 179.2 47.5 112.5 34.3 88 -2.2 95 -1.4 0 0.0 0 0.0 8 23
92 A 92 ILE I H H X >TS+ 0 0 -74.6 -41.3 -172.9 38.0 119.5 23.3 88 -0.6 97 -2.8 0 0.0 96 -0.7 9 30
93 A 93 LYS K H H < 5TS+ 0 0 -93.1 -3.7 179.1 36.7 126.5 61.0 89 -2.9 0 0.0 0 0.0 0 0.0 9 24
94 A 94 GLY G H H < 5TS+ 0 0 -120.2 -18.2 -176.2 24.0 129.8 55.1 90 -0.6 0 0.0 0 0.0 0 0.0 8 18
95 A 95 GLU E H H < 5TS+ 0 0 -142.0 22.9 174.1 22.0 131.7 84.5 91 -1.4 0 0.0 0 0.0 0 0.0 9 17
96 A 96 GLU E T h < 5TS+ 0 0 -151.8 -46.4 -179.2 56.6 111.1 67.5 92 -0.7 0 0.0 0 0.0 0 0.0 7 16
97 A 97 ASP D S t T - 0 0 -75.2 157.5 -179.5 -114.5 38.7 121.5 0 0.0 104 -1.0 0 0.0 0 0.0 7 16
102 A 102 PRO P T T 3 TS+ 0 0 -66.3 -22.0 -179.5 75.7 107.7 41.8 0 0.0 0 0.0 0 0.0 0 0.0 5 16
103 A 103 ILE I T T 3 TS+ 0 0 -77.7 17.8 176.4 56.8 94.7 76.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
104 A 104 LYS K t < T - 0 0 -144.7 147.9 175.2 -144.0 68.4 175.1 101 -1.0 0 0.0 0 0.0 0 0.0 7 10
105 A 105 PRO P S S S+ 0 0 -78.9 -20.9 -175.7 13.2 89.9 46.6 0 0.0 0 0.0 0 0.0 0 0.0 5 9
106 A 106 ARG R 0 0 -144.1 173.3 175.3 999.9 999.9 147.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
107 A 107 LYS K 0 0 -62.0 999.9 999.9 999.9 999.9 20.9 0 0.0 0 0.0 0 0.0 0 0.0 5 11
1ig6A.pdb
1IG6 DNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHHTTT GGG SSSSS HHHHHHHHHHTTHHHHHHHHTTHHHHHHHHT TT TTTTTTHHHHHHHHTTTTHHHHHHHTSSSS Kabs/Sand
chirality ++++++++++++++++-++-+++++--++--++++++++++++---++++++-+++++++++----++++++++++++++++-+++++++++++++-+- chirality
bends SSSSSSSSSSSSSSSSS SSS SSSSS SSSSSSSSSS SSSSSSS SSSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< >5555< >5555< 5-turns
3-turns >>3<< >>3<< >33< >33< >>3<< >33< >33X33< >>><33X33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXXX<<<<>>>>XX<<<<>>4>XX4<<< >4>4X>X4XX<4X>>X<<<< 4-turns
summary hHHHHHHHHHHHHHHHhTTtgGGGg SSSSS hHHHHHHHHHHhhHHHHHHHHhhHHHHHHHHhttTTtTTTTThHHHHHHHHhTThHHHHHHHhtSSS summary
sequence RADEQAFLVALYKYMKERKTPIERIPYLGFKQINLWTMFQAAQKLGGYETITARRQWKHIYDELGGNPGSTSAATCTRRHYERLILPYERFIKGEEDKPL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT S Kabs/Sand
chirality -++-+ chirality
bends SS S bends
turns TTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary tTTtS summary
sequence PPIKPRK sequence