Secondary structure calculation program - copyright by David Keith Smith, 1989
1jfiA.pdb
1JFI TRANSCRIPTION/DNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 63
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 10 ALA A 0 0 999.9 136.4 179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 19
2 A 11 ARG R - 0 0 -89.5 145.1 -178.5 -138.1 999.9 130.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
3 A 12 PHE F - 0 0 -113.5 146.1 -179.5 -94.2 25.6 145.9 0 0.0 0 0.0 0 0.0 0 0.0 9 26
4 A 13 PRO P h > T - 0 0 -53.5 102.6 179.8 -161.0 29.0 108.9 0 0.0 8 -2.7 0 0.0 0 0.0 7 23
5 A 14 PRO P H H > TS+ 0 0 -54.5 -44.3 179.7 56.1 91.4 24.8 0 0.0 9 -3.1 0 0.0 0 0.0 9 26
6 A 15 ALA A H H > TS+ 0 0 -53.3 -47.2 179.1 44.4 110.8 22.2 0 0.0 10 -2.3 0 0.0 0 0.0 7 24
7 A 16 ARG R H H > TS+ 0 0 -64.0 -42.4 179.2 53.3 112.0 25.1 0 0.0 11 -2.7 0 0.0 0 0.0 7 24
8 A 17 ILE I H H X TS+ 0 0 -60.9 -40.0 179.9 47.0 110.1 27.2 4 -2.7 12 -2.7 0 0.0 0 0.0 12 30
9 A 18 LYS K H H X TS+ 0 0 -69.6 -41.5 178.6 50.6 111.5 23.7 5 -3.1 13 -2.2 0 0.0 0 0.0 10 30
10 A 19 LYS K H H < TS+ 0 0 -60.3 -42.4 179.7 48.0 112.4 23.4 6 -2.3 0 0.0 0 0.0 0 0.0 8 26
11 A 20 ILE I H H < > TS+ 0 0 -64.3 -46.5 178.6 53.4 108.8 20.3 7 -2.7 14 -1.8 0 0.0 0 0.0 8 24
12 A 21 MET M H H < > TS+ 0 0 -53.6 -42.5 -177.2 53.7 106.6 27.4 8 -2.7 15 -1.1 0 0.0 0 0.0 8 29
13 A 22 GLN Q T h < 3 TS+ 0 0 -83.0 15.5 176.3 90.7 76.9 75.0 9 -2.2 0 0.0 0 0.0 0 0.0 9 21
14 A 23 THR T T T < TS+ 0 0 -79.2 -7.3 179.7 82.4 78.5 56.5 11 -1.8 16 -0.6 0 0.0 0 0.0 6 16
15 A 24 ASP D S t X TS- 0 0 -100.1 115.6 -179.5 -153.8 75.9 151.8 12 -1.1 18 -0.9 0 0.0 0 0.0 7 14
16 A 25 GLU E T T 3 TS+ 0 0 -60.8 -27.5 -179.1 61.3 92.1 39.2 14 -0.6 0 0.0 0 0.0 0 0.0 6 12
17 A 26 GLU E T T 3 TS+ 0 0 -70.5 -31.0 -179.2 93.2 82.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
18 A 27 ILE I t < T - 0 0 -69.3 118.9 179.7 -175.9 58.2 120.8 15 -0.9 0 0.0 0 0.0 0 0.0 8 17
19 A 28 GLY G - 0 0 -86.4 -133.8 179.8 -20.2 48.4 64.1 0 0.0 0 0.0 0 0.0 0 0.0 6 16
20 A 29 LYS K - 0 0 -76.1 147.9 179.9 -155.6 64.0 119.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
21 A 30 VAL V - 0 0 -132.4 131.2 -179.4 -106.3 22.0 172.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
22 A 31 ALA A t > T - 0 0 -55.8 127.4 179.9 -122.4 29.8 106.4 0 0.0 25 -2.7 0 0.0 0 0.0 6 19
23 A 32 ALA A T T 3 TS+ 0 0 -37.2 -43.7 -179.9 52.8 111.2 40.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
24 A 33 ALA A T h > > TS+ 0 0 -70.3 -24.1 -178.0 78.4 91.8 42.2 0 0.0 28 -1.4 0 0.0 27 -0.6 6 22
25 A 34 VAL V H H > X TS+ 0 0 -52.2 -58.5 179.8 52.7 87.8 20.5 22 -2.7 29 -2.7 0 0.0 28 -0.9 8 27
26 A 35 PRO P H H > 3 TS+ 0 0 -50.1 -32.0 -179.6 54.4 107.8 35.2 0 0.0 30 -1.5 0 0.0 0 0.0 12 29
27 A 36 VAL V H H > < TS+ 0 0 -74.2 -33.7 178.4 45.0 109.2 31.5 24 -0.6 31 -1.6 0 0.0 0 0.0 10 26
28 A 37 ILE I H H X < TS+ 0 0 -74.5 -39.7 178.9 53.8 111.1 24.0 24 -1.4 32 -2.9 25 -0.9 0 0.0 8 25
29 A 38 ILE I H H X TS+ 0 0 -59.8 -33.4 178.4 56.3 105.1 28.2 25 -2.7 33 -3.5 0 0.0 0 0.0 9 29
30 A 39 SER S H H X TS+ 0 0 -61.4 -46.7 180.0 45.1 108.7 17.4 26 -1.5 34 -2.2 0 0.0 0 0.0 13 28
31 A 40 ARG R H H X TS+ 0 0 -62.3 -40.3 178.6 49.5 114.5 27.2 27 -1.6 35 -2.2 0 0.0 0 0.0 10 24
32 A 41 ALA A H H X TS+ 0 0 -63.7 -46.2 -179.6 51.1 109.1 20.9 28 -2.9 36 -2.3 0 0.0 0 0.0 8 24
33 A 42 LEU L H H X TS+ 0 0 -59.2 -36.0 179.4 52.3 109.7 27.9 29 -3.5 37 -1.9 0 0.0 0 0.0 8 26
34 A 43 GLU E H H X TS+ 0 0 -65.9 -43.3 179.4 46.5 110.0 24.9 30 -2.2 38 -1.8 0 0.0 0 0.0 11 22
35 A 44 LEU L H H X TS+ 0 0 -68.4 -31.3 -179.3 53.7 111.4 35.2 31 -2.2 39 -1.8 0 0.0 0 0.0 8 19
36 A 45 PHE F H H X TS+ 0 0 -72.6 -37.3 -179.7 47.4 108.6 30.5 32 -2.3 40 -2.2 0 0.0 0 0.0 8 23
37 A 46 LEU L H H X TS+ 0 0 -73.0 -38.2 179.7 50.7 111.0 27.1 33 -1.9 41 -3.4 0 0.0 0 0.0 8 25
38 A 47 GLU E H H X TS+ 0 0 -63.9 -45.6 179.7 42.7 115.3 20.8 34 -1.8 42 -1.9 0 0.0 0 0.0 8 22
39 A 48 SER S H H X TS+ 0 0 -65.9 -42.2 180.0 45.9 118.9 24.7 35 -1.8 43 -1.0 0 0.0 0 0.0 8 23
40 A 49 LEU L H H X TS+ 0 0 -66.5 -50.9 -179.2 46.0 113.3 20.4 36 -2.2 44 -2.6 0 0.0 0 0.0 10 27
41 A 50 LEU L H H X TS+ 0 0 -61.5 -38.5 -179.1 54.6 110.9 28.7 37 -3.4 45 -1.9 0 0.0 0 0.0 9 28
42 A 51 LYS K H H X TS+ 0 0 -68.1 -26.3 178.3 44.5 111.2 41.2 38 -1.9 46 -0.8 0 0.0 0 0.0 8 25
43 A 52 LYS K H H X > TS+ 0 0 -81.1 -48.1 -179.6 49.7 113.1 24.4 39 -1.0 47 -2.2 0 0.0 46 -0.5 9 28
44 A 53 ALA A H H X 3 TS+ 0 0 -60.1 -29.6 179.2 57.9 106.5 35.9 40 -2.6 48 -1.8 0 0.0 0 0.0 13 27
45 A 54 CYS C H H X 3 TS+ 0 0 -67.6 -37.6 178.5 50.4 104.9 27.7 41 -1.9 49 -2.2 0 0.0 0 0.0 10 26
46 A 55 GLN Q H H X < TS+ 0 0 -62.0 -50.6 179.7 49.3 110.2 16.2 42 -0.8 50 -0.6 43 -0.5 0 0.0 8 24
47 A 56 VAL V H H < TS+ 0 0 -58.1 -33.2 -180.0 52.2 110.4 34.8 43 -2.2 0 0.0 0 0.0 0 0.0 9 24
48 A 57 THR T H H < > TS+ 0 0 -71.5 -42.2 -179.6 51.9 105.9 23.9 44 -1.8 51 -1.1 0 0.0 0 0.0 11 21
49 A 58 GLN Q H H < 3 TS+ 0 0 -72.6 -3.5 179.0 63.9 102.0 58.6 45 -2.2 0 0.0 0 0.0 0 0.0 6 18
50 A 59 SER S T h < 3 T 0 0 -108.4 29.9 179.0 999.9 999.9 94.0 46 -0.6 0 0.0 0 0.0 0 0.0 5 16
51!A 60 ARG R t < T 0 0 -133.6 999.9 999.9 999.9 999.9 162.2 48 -1.1 0 0.0 0 0.0 0 0.0 4 16
52!A 64 THR T 0 0 999.9 127.3 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 17
53 A 65 MET M - 0 0 -76.2 133.2 -178.7 -164.3 999.9 124.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
54 A 66 THR T h > T - 0 0 -117.2 174.0 179.8 -97.8 36.3 130.1 0 0.0 58 -1.0 0 0.0 0 0.0 7 22
55 A 67 THR T H H > TS+ 0 0 -56.7 -34.7 179.8 53.1 121.5 34.4 0 0.0 59 -2.2 0 0.0 0 0.0 6 21
56 A 68 SER S H H > TS+ 0 0 -68.8 -49.5 -179.7 56.6 100.6 19.1 0 0.0 60 -1.9 0 0.0 0 0.0 6 22
57 A 69 HIS H H H 4 TS+ 0 0 -53.9 -25.9 -179.6 44.4 113.9 39.5 0 0.0 0 0.0 0 0.0 0 0.0 12 25
58 A 70 LEU L H H < > TS+ 0 0 -84.4 -52.4 -179.4 56.6 104.9 22.3 54 -1.0 61 -1.6 0 0.0 0 0.0 12 27
59 A 71 LYS K H H < > TS+ 0 0 -49.1 -37.9 -179.4 68.6 95.4 32.4 55 -2.2 62 -2.2 0 0.0 0 0.0 8 21
60 A 72 GLN Q T h < 3 TS+ 0 0 -70.5 20.2 179.4 53.9 98.1 77.7 56 -1.9 0 0.0 0 0.0 0 0.0 8 23
61 A 73 CYS C T T < TS+ 0 0 -126.1 -14.0 179.2 49.8 105.2 65.0 58 -1.6 0 0.0 0 0.0 0 0.0 9 23
62 A 74 ILE I t < T 0 0 -112.8 23.0 -179.4 999.9 999.9 91.9 59 -2.2 0 0.0 0 0.0 0 0.0 5 20
63 A 75 GLU E 0 0 -81.3 999.9 999.9 999.9 999.9 111.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
1jfiA.pdb
1JFI TRANSCRIPTION/DNA MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHTTSTT TTHHHHHHHHHHHHHHHHHHHHHHHHHT HHHHHTT Kabs/Sand
chirality ---++++++++++-++-----+++++++++++++++++++++++++++ --+++++++ chirality
bends SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT turns
5-turns 5-turns
3-turns >>33>X3<< >33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XX<<<< >>>>XXXXXXXXXXXXXXXXXXX<<<< >>>4<<< 4-turns
summary hHHHHHHHHhTtTTt tThHHHHHHHHHHHHHHHHHHHHHHHHHht hHHHHHhTt summary
sequence ARFPPARIKKIMQTDEEIGKVAAAVPVIISRALELFLESLLKKACQVTQSRTMTTSHLKQCIE sequence
10 20 30 40 50 60
Messages
chain break between 51(A 60 ) and 52(A 64 )