Secondary structure calculation program - copyright by David Keith Smith, 1989
1ihfA.pdb
1IHF COMPLEX (TRANSCRIPTION REGULATION/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 96
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 2 ALA A 0 0 999.9 146.3 178.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 8
2 A 3 LEU L - 0 0 -75.7 133.7 -179.7 -175.5 999.9 128.2 0 0.0 0 0.0 0 0.0 0 0.0 5 15
3 A 4 THR T h > T - 0 0 -126.0 173.3 178.7 -101.1 42.6 141.9 0 0.0 7 -2.6 0 0.0 0 0.0 6 18
4 A 5 LYS K H H > TS+ 0 0 -60.8 -37.7 179.6 55.5 123.6 28.2 0 0.0 8 -2.9 0 0.0 0 0.0 9 24
5 A 6 ALA A H H > TS+ 0 0 -59.9 -47.8 179.6 45.7 109.1 17.6 0 0.0 9 -2.6 0 0.0 0 0.0 7 26
6 A 7 GLU E H H > TS+ 0 0 -63.9 -37.9 179.7 51.2 112.9 26.2 0 0.0 10 -2.4 0 0.0 0 0.0 8 24
7 A 8 MET M H H X TS+ 0 0 -65.0 -43.3 178.9 47.6 110.8 19.8 3 -2.6 11 -2.4 0 0.0 0 0.0 10 29
8 A 9 SER S H H X TS+ 0 0 -61.2 -53.0 179.6 51.1 110.7 15.9 4 -2.9 12 -2.5 0 0.0 0 0.0 13 28
9 A 10 GLU E H H X TS+ 0 0 -51.8 -44.6 178.6 51.7 109.9 23.4 5 -2.6 13 -2.9 0 0.0 0 0.0 10 25
10 A 11 TYR Y H H X TS+ 0 0 -59.3 -48.3 179.2 49.2 108.3 21.6 6 -2.4 14 -3.0 0 0.0 0 0.0 8 25
11 A 12 LEU L H H X TS+ 0 0 -58.2 -37.8 178.3 50.9 112.6 28.5 7 -2.4 15 -2.0 0 0.0 17 -0.9 11 27
12 A 13 PHE F H H X TS+ 0 0 -61.7 -58.7 -179.4 40.9 114.3 10.2 8 -2.5 16 -2.0 0 0.0 0 0.0 12 22
13 A 14 ASP D H H < TS+ 0 0 -57.5 -47.3 -178.0 36.3 124.3 28.2 9 -2.9 0 0.0 0 0.0 0 0.0 8 18
14 A 15 LYS K H H < TS+ 0 0 -77.4 -47.2 -178.5 23.8 132.0 23.9 10 -3.0 0 0.0 0 0.0 0 0.0 6 18
15 A 16 LEU L H H < TS- 0 0 -99.6 -7.7 -179.6 -124.4 96.7 56.5 11 -2.0 0 0.0 0 0.0 0 0.0 6 19
16 A 17 GLY G h < T + 0 0 67.6 34.6 178.9 164.8 50.8 27.6 12 -2.0 0 0.0 0 0.0 0 0.0 7 17
17 A 18 LEU L - 0 0 -81.7 153.3 177.8 -99.1 46.2 123.6 11 -0.9 0 0.0 0 0.0 0 0.0 10 21
18 A 19 SER S h > T - 0 0 -68.0 144.4 179.5 -118.5 31.9 118.0 0 0.0 22 -2.8 0 0.0 0 0.0 7 20
19 A 20 LYS K H H > TS+ 0 0 -55.4 -28.2 178.8 57.4 115.5 33.7 0 0.0 23 -2.0 0 0.0 0 0.0 9 23
20 A 21 ARG R H H > TS+ 0 0 -66.2 -54.3 -179.3 39.6 111.0 12.9 0 0.0 24 -2.3 0 0.0 0 0.0 7 23
21 A 22 ASP D H H > TS+ 0 0 -64.1 -40.8 179.2 54.8 113.0 25.5 0 0.0 25 -3.2 0 0.0 0 0.0 8 25
22 A 23 ALA A H H X TS+ 0 0 -57.7 -45.2 179.4 48.0 110.4 19.3 18 -2.8 26 -2.3 0 0.0 0 0.0 13 27
23 A 24 LYS K H H X TS+ 0 0 -59.4 -56.1 -179.2 45.6 113.3 13.8 19 -2.0 27 -2.2 0 0.0 0 0.0 11 28
24 A 25 GLU E H H X TS+ 0 0 -56.9 -41.0 -179.7 54.8 111.3 27.3 20 -2.3 28 -2.8 0 0.0 0 0.0 8 25
25 A 26 LEU L H H X TS+ 0 0 -60.4 -50.7 179.1 47.3 106.8 20.7 21 -3.2 29 -2.7 0 0.0 0 0.0 9 29
26 A 27 VAL V H H X TS+ 0 0 -55.3 -51.9 179.7 50.0 113.4 13.4 22 -2.3 30 -1.9 0 0.0 0 0.0 11 30
27 A 28 GLU E H H X TS+ 0 0 -51.9 -48.7 -179.8 47.4 112.6 22.6 23 -2.2 31 -2.3 0 0.0 0 0.0 9 26
28 A 29 LEU L H H X TS+ 0 0 -62.0 -42.6 178.1 58.8 104.6 31.0 24 -2.8 32 -3.3 0 0.0 0 0.0 8 21
29 A 30 PHE F H H X TS+ 0 0 -52.3 -53.3 179.7 40.2 112.3 15.7 25 -2.7 33 -1.9 0 0.0 0 0.0 8 26
30 A 31 PHE F H H X TS+ 0 0 -65.6 -40.0 179.3 53.0 114.8 22.8 26 -1.9 34 -2.4 0 0.0 0 0.0 8 28
31 A 32 GLU E H H X TS+ 0 0 -61.6 -44.8 179.8 52.6 106.3 21.6 27 -2.3 35 -3.1 0 0.0 0 0.0 8 20
32 A 33 GLU E H H X TS+ 0 0 -57.3 -45.0 179.0 50.5 108.7 22.2 28 -3.3 36 -2.4 0 0.0 0 0.0 8 22
33 A 34 ILE I H H X TS+ 0 0 -59.2 -44.9 177.8 48.3 111.6 20.0 29 -1.9 37 -2.4 0 0.0 0 0.0 9 30
34 A 35 ARG R H H X TS+ 0 0 -61.0 -44.6 179.1 55.0 108.2 23.8 30 -2.4 38 -3.1 0 0.0 0 0.0 8 28
35 A 36 ARG R H H X TS+ 0 0 -53.9 -50.7 179.6 46.3 109.6 20.0 31 -3.1 39 -1.2 0 0.0 0 0.0 8 21
36 A 37 ALA A H H < >TS+ 0 0 -57.3 -49.5 -178.8 47.4 115.2 19.7 32 -2.4 41 -2.5 0 0.0 0 0.0 11 26
37 A 38 LEU L H H < >5TS+ 0 0 -61.1 -46.9 -179.9 49.5 109.5 24.9 33 -2.4 40 -2.0 0 0.0 0 0.0 14 28
38 A 39 GLU E H H < 35TS+ 0 0 -66.1 -18.6 -179.2 59.5 108.2 40.2 34 -3.1 0 0.0 0 0.0 0 0.0 7 23
39 A 40 ASN N T h < 35TS- 0 0 -95.1 16.7 178.8 -107.7 121.5 81.8 35 -1.2 0 0.0 0 0.0 0 0.0 6 20
40 A 41 GLY G T T <5TS+ 0 0 71.4 7.2 -179.6 133.8 76.5 58.6 37 -2.0 0 0.0 0 0.0 0 0.0 7 23
41 A 42 GLU E t AA > T - 49 0 -102.7 99.6 -179.4 -134.9 24.4 146.4 49 -2.3 48 -2.3 43 -0.6 49 -0.8 7 27
46 A 47 SER S T T 4 3 TS+ 0 0 -54.6 132.6 179.3 19.7 89.3 103.6 44 -0.9 0 0.0 0 0.0 0 0.0 6 21
47 A 48 GLY G T T 4 3 TS+ 0 0 87.7 -2.9 179.1 48.1 130.2 65.3 0 0.0 0 0.0 0 0.0 0 0.0 8 19
48 A 49 PHE F T e 4 < TS- 0 0 -128.2 -82.2 179.5 -88.9 104.1 66.5 45 -2.3 83 -2.5 0 0.0 0 0.0 9 24
49 A 50 GLY G E E T - 0 0 -76.0 108.6 -179.4 -151.3 42.3 138.3 68 -2.4 67 -2.2 0 0.0 0 0.0 9 14
64 A 65 PRO P T T 4 TS+ 0 0 -50.2 -51.1 -179.2 50.6 87.1 24.9 0 0.0 0 0.0 0 0.0 0 0.0 6 12
65 A 66 LYS K T T 4 TS+ 0 0 -54.9 -53.5 -178.0 22.4 125.9 22.6 0 0.0 0 0.0 0 0.0 0 0.0 4 9
66 A 67 THR T T T 4 TS- 0 0 -83.4 -53.5 -179.1 -123.3 95.5 22.5 0 0.0 0 0.0 0 0.0 0 0.0 5 9
67 A 68 GLY G t < T + 0 0 122.3 -8.7 -179.5 155.3 51.8 76.7 63 -2.2 0 0.0 0 0.0 0 0.0 7 12
68 A 69 GLU E e - 0 0 -55.1 114.6 179.5 -123.0 47.6 108.6 0 0.0 63 -2.4 0 0.0 0 0.0 7 12
69 A 70 ASP D E E BC + 62 0 -65.0 117.0 -179.0 170.6 41.8 118.3 0 0.0 0 0.0 0 0.0 0 0.0 8 15
70 A 71 ILE I E E BC - 61 0 -129.7 138.3 179.9 -114.6 32.2 170.4 61 -1.4 61 -1.3 0 0.0 0 0.0 8 16
71 A 72 PRO P E E BC - 60 0 -79.9 144.1 176.9 -132.4 15.8 119.2 0 0.0 73 -0.8 0 0.0 0 0.0 9 17
72 A 73 ILE I E E BC - 59 0 -89.3 112.2 -179.3 -127.1 37.9 150.8 59 -3.1 59 -2.0 0 0.0 0 0.0 9 20
73 A 74 THR T - 0 0 -61.5 153.7 178.8 -91.6 25.0 103.0 71 -0.8 0 0.0 0 0.0 0 0.0 7 18
74 A 75 ALA A + 0 0 -63.7 146.3 -177.6 158.2 60.5 113.5 0 0.0 0 0.0 0 0.0 0 0.0 9 17
75 A 76 ARG R E E AB - 56 0 -166.3 159.9 176.5 -114.1 45.2 171.4 56 -2.0 56 -3.3 0 0.0 77 -0.6 8 21
76 A 77 ARG R E E AB - 55 0 -104.6 119.4 -179.0 -171.9 41.0 160.0 0 0.0 0 0.0 0 0.0 0 0.0 8 25
77 A 78 VAL V E E AB - 54 0 -115.4 154.7 178.6 -127.6 21.8 144.2 54 -2.6 54 -2.4 75 -0.6 0 0.0 8 27
78 A 79 VAL V E E AB - 53 0 -98.6 128.5 178.2 -176.2 28.6 148.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
79 A 80 THR T E E AB - 52 0 -121.8 158.7 178.4 -138.2 17.5 152.4 52 -3.1 52 -2.2 0 0.0 0 0.0 8 28
80 A 81 PHE F E E AB - 51 0 -119.7 131.6 179.1 -167.3 9.4 165.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
81 A 82 ARG R E E AB - 50 0 -118.6 100.1 -180.0 -142.5 20.4 160.3 50 -2.8 50 -2.5 0 0.0 0 0.0 8 25
82 A 83 PRO P E E AB - 49 0 -64.1 138.0 -179.3 -123.9 19.9 116.3 0 0.0 0 0.0 0 0.0 0 0.0 9 24
83 A 84 GLY G h > T - 0 0 -79.1 170.5 -179.3 -103.1 22.2 106.9 48 -2.5 87 -2.9 0 0.0 0 0.0 11 22
84 A 85 GLN Q H H > TS+ 0 0 -62.5 -36.7 179.3 54.6 119.6 30.2 0 0.0 88 -2.2 0 0.0 0 0.0 7 19
85 A 86 LYS K H H > TS+ 0 0 -62.2 -51.3 178.8 40.4 113.2 12.7 0 0.0 89 -1.8 0 0.0 0 0.0 8 19
86 A 87 LEU L H H > TS+ 0 0 -60.9 -51.1 179.5 56.3 113.0 17.2 0 0.0 90 -2.1 0 0.0 0 0.0 11 21
87 A 88 LYS K H H X TS+ 0 0 -49.6 -44.4 -179.2 48.9 106.5 29.2 83 -2.9 91 -2.7 0 0.0 0 0.0 9 20
88 A 89 SER S H H X TS+ 0 0 -64.6 -44.7 179.5 52.2 109.1 19.0 84 -2.2 92 -0.6 0 0.0 0 0.0 8 17
89 A 90 ARG R H H < TS+ 0 0 -57.2 -34.6 -178.3 37.3 119.3 30.1 85 -1.8 0 0.0 0 0.0 0 0.0 8 17
90 A 91 VAL V H H < > TS+ 0 0 -90.8 -28.7 -176.6 89.8 89.0 38.9 86 -2.1 93 -3.0 0 0.0 0 0.0 7 18
91 A 92 GLU E H H < 3 TS+ 0 0 -41.7 -39.4 179.3 39.8 96.1 41.4 87 -2.7 0 0.0 0 0.0 0 0.0 6 14
92 A 93 ASN N T h < 3 TS+ 0 0 -100.8 21.4 178.7 130.5 88.0 85.1 88 -0.6 0 0.0 0 0.0 0 0.0 6 12
93 A 94 ALA A t < T - 0 0 -68.2 168.2 179.8 -146.6 46.9 100.1 90 -3.0 0 0.0 0 0.0 0 0.0 6 11
94 A 95 SER S - 0 0 -142.1 112.3 179.7 -110.0 27.8 162.1 0 0.0 0 0.0 0 0.0 0 0.0 4 9
95 A 96 PRO P 0 0 -44.8 124.1 -178.6 999.9 999.9 101.5 0 0.0 0 0.0 0 0.0 0 0.0 3 9
96 A 97 LYS K 0 0 -70.7 999.9 999.9 999.9 999.9 114.2 0 0.0 0 0.0 0 0.0 0 0.0 2 7
1ihfA.pdb
1IHF COMPLEX (TRANSCRIPTION REGULATION/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHH HHHHHHHHHHHHHHHHHHHHTT EEETTTEEEEEEEE EEEE TTT EEEE EEEEEEEE HHHHHHHHT Kabs/Sand
chirality --+++++++++++-+--++++++++++++++++++++-+-----++----------+-+---++-+-+----+---------+++++++++-- chirality
bends SSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSS SSS SSS SSSSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTT TTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 BBBBBBBB bridge-2
bridge-1 AAA AAA CCCC CCCC BBBBBBBB bridge-1
sheets AAA AAAAAAAA BBBB BBBB AAAAAAAA sheets
4-turns >>>>XXXXXX<<<< >>>>XXXXXXXXXXXXXX<<<< >444< >444< >>>>XX<<<< 4-turns
summary hHHHHHHHHHHHHh hHHHHHHHHHHHHHHHHHHHHhTt EEETTeEEEEEEEE EEEEeTTTteEEEE EEEEEEEEhHHHHHHHHht summary
sequence ALTKAEMSEYLFDKLGLSKRDAKELVELFFEEIRRALENGEQVKLSGFGNFDLRDKNQRPGRNPKTGEDIPITARRVVTFRPGQKLKSRVENASPK sequence
10 20 30 40 50 60 70 80 90