Secondary structure calculation program - copyright by David Keith Smith, 1989
1kq8A.pdb
1KQ8 TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 75
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 8 TYR Y h > T 0 0 999.9 -30.0 180.0 999.9 999.9 999.9 0 0.0 5 -2.0 0 0.0 0 0.0 5 37
2 A 9 ILE I H H > T + 0 0 -69.8 -55.3 180.0 43.2 999.9 15.0 0 0.0 6 -2.8 0 0.0 0 0.0 6 28
3 A 10 ALA A H H > TS+ 0 0 -56.0 -45.4 180.0 51.1 115.1 24.3 0 0.0 7 -2.5 0 0.0 0 0.0 6 22
4 A 11 LEU L H H > TS+ 0 0 -58.5 -43.1 -180.0 47.9 111.1 25.6 0 0.0 8 -1.7 0 0.0 0 0.0 7 36
5 A 12 ILE I H H X TS+ 0 0 -65.1 -38.0 -180.0 56.4 108.2 29.5 1 -2.0 9 -3.3 0 0.0 0 0.0 10 44
6 A 13 THR T H H X TS+ 0 0 -58.4 -50.8 180.0 40.1 112.0 20.3 2 -2.8 10 -1.9 0 0.0 0 0.0 8 35
7 A 14 MET M H H < TS+ 0 0 -69.6 -26.2 180.0 55.9 114.7 40.5 3 -2.5 0 0.0 0 0.0 0 0.0 8 32
8 A 15 ALA A H H < > TS+ 0 0 -70.2 -51.0 -180.0 39.4 112.0 18.7 4 -1.7 11 -1.4 0 0.0 0 0.0 10 42
9 A 16 ILE I H H < > TS+ 0 0 -67.5 -30.7 180.0 76.7 99.9 35.8 5 -3.3 12 -2.9 0 0.0 0 0.0 9 46
10 A 17 ARG R T h < 3 TS+ 0 0 -52.2 -19.5 180.0 88.4 70.2 45.2 6 -1.9 0 0.0 0 0.0 0 0.0 7 35
11 A 18 ASP D T T < TS+ 0 0 -48.8 -32.7 180.0 42.7 94.0 35.3 8 -1.4 0 0.0 0 0.0 0 0.0 8 30
12 A 19 SER S S t < TS- 0 0 -89.1 -142.1 180.0 -129.2 85.3 72.6 9 -2.9 0 0.0 0 0.0 0 0.0 8 32
13 A 20 ALA A S S S- 0 0 -168.5 33.6 180.0 -63.0 70.6 87.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
14 A 21 GLY G S S S+ 0 0 79.6 39.4 180.0 78.6 122.8 30.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
15 A 22 GLY G S S S- 0 0 -135.2 -68.7 -180.0 -33.3 97.3 61.5 0 0.0 0 0.0 0 0.0 0 0.0 8 24
16 A 23 ARG R + 0 0 -162.2 156.6 180.0 172.6 50.5 168.4 0 0.0 0 0.0 0 0.0 0 0.0 11 35
17 A 24 LEU L B B A - 71 0 -161.0 166.8 -180.0 -116.4 29.9 165.4 71 -3.4 71 -4.9 0 0.0 19 -0.5 11 43
18 A 25 THR T h > > T - 0 0 -119.3 114.0 180.0 -160.0 6.7 162.5 0 0.0 22 -2.4 0 0.0 21 -0.8 10 46
19 A 26 LEU L H H > 3 TS+ 0 0 -60.2 -20.6 -180.0 68.6 93.8 44.0 17 -0.5 23 -3.0 0 0.0 0 0.0 12 54
20 A 27 ALA A H H > 3 TS+ 0 0 -63.7 -47.5 -180.0 35.0 106.9 21.3 69 -0.8 24 -1.4 0 0.0 0 0.0 10 43
21 A 28 GLU E H H > < TS+ 0 0 -73.7 -39.6 -180.0 55.2 116.8 29.1 18 -0.8 25 -2.5 0 0.0 0 0.0 8 38
22 A 29 ILE I H H X TS+ 0 0 -57.7 -51.5 -180.0 37.5 115.6 19.1 18 -2.4 26 -1.8 0 0.0 0 0.0 11 47
23 A 30 ASN N H H X TS+ 0 0 -69.8 -30.0 -179.9 64.9 110.5 36.7 19 -3.0 27 -2.4 0 0.0 0 0.0 10 46
24 A 31 GLU E H H X TS+ 0 0 -57.5 -49.0 180.0 31.7 112.7 21.7 20 -1.4 28 -1.2 0 0.0 0 0.0 9 36
25 A 32 TYR Y H H X TS+ 0 0 -80.0 -26.4 -180.0 68.2 111.0 41.5 21 -2.5 29 -0.9 0 0.0 0 0.0 8 31
26 A 33 LEU L H H X TS+ 0 0 -57.4 -48.4 -180.0 31.5 112.0 21.6 22 -1.8 30 -2.8 0 0.0 0 0.0 10 40
27 A 34 MET M H H < TS+ 0 0 -79.9 -28.7 -180.0 57.6 117.1 39.4 23 -2.4 0 0.0 0 0.0 0 0.0 10 29
28 A 35 GLY G H H < TS+ 0 0 -78.2 -6.4 -180.0 32.6 119.2 58.4 24 -1.2 0 0.0 0 0.0 0 0.0 8 21
29 A 36 LYS K H H < TS+ 0 0 -111.8 -55.7 180.0 60.7 111.2 41.1 25 -0.9 0 0.0 0 0.0 0 0.0 6 22
30 A 37 PHE F h X T - 0 0 -83.4 113.8 180.0 -176.7 56.2 135.2 26 -2.8 34 -1.0 0 0.0 0 0.0 8 27
31 A 38 PRO P T T 4 TS+ 0 0 -75.0 -39.9 180.0 57.9 83.4 29.2 0 0.0 0 0.0 0 0.0 0 0.0 8 18
32 A 39 PHE F T g 4 > TS+ 0 0 -58.6 -33.6 -180.0 51.9 105.6 34.3 0 0.0 35 -0.8 0 0.0 0 0.0 6 18
33 A 40 PHE F G G > > TS+ 0 0 -71.5 -36.2 180.0 47.5 109.7 32.0 0 0.0 37 -0.8 0 0.0 36 -0.7 10 26
34 A 41 ARG R G G < 3 TS+ 0 0 -88.1 12.1 -180.0 51.2 114.3 76.0 30 -1.0 0 0.0 0 0.0 0 0.0 10 21
35 A 42 GLY G G G 4 < TS+ 0 0 -140.7 40.4 -180.0 43.3 109.4 99.2 32 -0.8 0 0.0 0 0.0 0 0.0 7 15
36 A 43 SER S T g 4 < TS- 0 0 -143.5 -69.6 180.0 -31.0 119.3 69.3 33 -0.7 0 0.0 0 0.0 0 0.0 6 16
37 A 44 TYR Y t < T - 0 0 -169.9 108.0 -180.0 -149.6 37.7 131.9 33 -0.8 39 -2.6 0 0.0 0 0.0 7 19
38 A 45 THR T S S S+ 0 0 -77.0 56.7 180.0 88.3 81.8 108.6 0 0.0 0 0.0 0 0.0 0 0.0 8 25
39 A 46 GLY G + 0 0 -142.5 28.5 180.0 91.3 53.3 90.4 37 -2.6 0 0.0 0 0.0 0 0.0 5 21
40 A 47 TRP W h > T + 0 0 -99.3 -12.5 180.0 94.9 57.5 57.9 0 0.0 44 -4.5 0 0.0 0 0.0 7 30
41 A 48 ARG R H H > TS+ 0 0 -50.1 -22.3 -180.0 53.8 85.8 43.2 0 0.0 45 -1.9 0 0.0 0 0.0 9 37
42 A 49 ASN N H H > TS+ 0 0 -78.5 -48.5 -180.0 35.4 115.0 22.8 0 0.0 46 -1.9 0 0.0 0 0.0 7 24
43 A 50 SER S H H > TS+ 0 0 -73.8 -32.0 -180.0 50.1 121.5 35.7 0 0.0 47 -2.3 0 0.0 0 0.0 7 23
44 A 51 VAL V H H X TS+ 0 0 -69.3 -56.8 -180.0 41.4 114.3 13.7 40 -4.5 48 -2.5 0 0.0 0 0.0 10 41
45 A 52 ARG R H H X TS+ 0 0 -57.8 -40.4 -180.0 54.5 114.8 28.5 41 -1.9 49 -2.2 0 0.0 0 0.0 9 46
46 A 53 HIS H H H X TS+ 0 0 -57.8 -55.8 -180.0 39.3 113.4 15.9 42 -1.9 50 -2.8 0 0.0 0 0.0 9 30
47 A 54 ASN N H H X TS+ 0 0 -64.3 -28.8 180.0 67.0 108.5 37.2 43 -2.3 51 -0.5 0 0.0 0 0.0 9 31
48 A 55 LEU L H H X >TS+ 0 0 -56.2 -51.4 -180.0 27.5 114.1 19.8 44 -2.5 52 -1.8 0 0.0 53 -0.6 10 45
49 A 56 SER S H H < 5TS+ 0 0 -80.7 -30.0 -180.0 55.8 120.9 38.6 45 -2.2 0 0.0 0 0.0 0 0.0 10 41
50 A 57 LEU L H H < 5TS+ 0 0 -80.7 0.5 180.0 40.2 116.9 64.6 46 -2.8 0 0.0 0 0.0 0 0.0 7 24
51 A 58 ASN N H H < 5TS+ 0 0 -108.4 -76.2 180.0 23.0 126.6 41.1 47 -0.5 0 0.0 0 0.0 0 0.0 6 31
52 A 59 ASP D T h < 5TS- 0 0 -58.6 -53.1 -180.0 -139.1 93.1 17.5 48 -1.8 0 0.0 0 0.0 0 0.0 7 36
53 A 60 CYS C t 5555< 5-turns
3-turns >>3<< >33< >>3<< 3-turns
bridge-2 A bridge-2
bridge-1 A AA AA bridge-1
sheets AA AA sheets
4-turns >>>>XX<<<< >>>>XXXXX<<<44< >>>>XXXXX<<<< 4-turns
summary hHHHHHHHHhTtSSS BhHHHHHHHHHHHhTgGGGgtS hHHHHHHHHHHHht EEeSS S SSS eEE summary
sequence YIALITMAIRDSAGGRLTLAEINEYLMGKFPFFRGSYTGWRNSVRHNLSLNDCFVKVLRDPSRPWGKDNYWMLNP sequence
10 20 30 40 50 60 70