Secondary structure calculation program - copyright by David Keith Smith, 1989
1afh-.pdb
1AFH LIPID-BINDING PROTEIN 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 1 ALA A 0 0 999.9 161.6 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
2 2 ILE I + 0 0 32.1 70.1 -179.8 123.7 999.9 28.8 0 0.0 0 0.0 0 0.0 0 0.0 13 35
3 3 SER S S S S- 0 0 -156.4 80.2 -179.8 -69.9 90.4 118.2 0 0.0 5 -3.6 0 0.0 0 0.0 12 35
4 4 CYS C S h > TS+ 0 0 66.1 -57.9 179.5 80.5 123.5 101.7 0 0.0 8 -2.7 0 0.0 0 0.0 11 39
5 5 GLY G H H > TS+ 0 0 -44.1 -53.4 179.0 29.0 106.6 22.1 3 -3.6 9 -1.0 0 0.0 0 0.0 8 31
6 6 GLN Q H H > TS+ 0 0 -81.5 -25.8 178.1 69.8 110.5 36.5 0 0.0 10 -2.3 0 0.0 0 0.0 10 39
7 7 VAL V H H > TS+ 0 0 -56.1 -41.2 178.6 45.8 103.2 21.1 0 0.0 11 -2.3 0 0.0 0 0.0 14 58
8 8 ALA A H H X TS+ 0 0 -68.4 -39.6 179.1 48.3 113.3 24.1 4 -2.7 12 -1.7 0 0.0 0 0.0 9 48
9 9 SER S H H < TS+ 0 0 -71.9 -20.8 -179.7 52.7 112.0 41.2 5 -1.0 0 0.0 0 0.0 0 0.0 9 39
10 10 ALA A H H < TS+ 0 0 -80.7 -49.1 -179.7 30.5 118.8 20.9 6 -2.3 33 -0.5 0 0.0 0 0.0 14 55
11 11 ILE I H H X > TS+ 0 0 -84.3 -16.7 179.0 85.2 100.6 45.3 7 -2.3 15 -1.1 0 0.0 14 -0.9 13 68
12 12 ALA A G h < > TS+ 0 0 -46.8 -54.0 179.0 44.9 93.7 20.5 8 -1.7 15 -1.6 0 0.0 0 0.0 8 49
13 13 PRO P G T 4 3 TS+ 0 0 -63.4 -23.1 177.4 52.5 113.6 43.8 0 0.0 0 0.0 0 0.0 0 0.0 11 41
14 14 CYS C G h > <>TS+ 0 0 -88.6 -6.5 -178.1 98.8 78.7 56.7 11 -0.9 18 -3.2 0 0.0 19 -0.5 15 53
15 15 ILE I H H X <5TS+ 0 0 -48.6 -47.1 179.7 53.4 81.4 26.3 12 -1.6 19 -2.7 11 -1.1 0 0.0 12 48
16 16 SER S H H 4 >TS+ 0 0 -52.8 -63.5 179.7 31.4 119.9 10.6 0 0.0 21 -4.5 0 0.0 0 0.0 10 38
17 17 TYR Y H H 4 >5TS+ 0 0 -59.5 -59.7 180.0 44.7 125.0 10.1 0 0.0 20 -2.4 0 0.0 0 0.0 14 41
18 18 ALA A H H < 35TS+ 0 0 -56.8 -27.6 -179.0 51.7 114.9 36.9 14 -3.2 64 -3.9 0 0.0 68 -0.6 18 51
19 19 ARG R T h < 3 T - 0 0 -104.2 156.1 179.6 -122.6 13.9 136.6 0 0.0 30 -2.8 0 0.0 0 0.0 8 35
27 27 ALA A H H > TS+ 0 0 -61.3 -47.4 179.1 45.9 116.7 17.1 0 0.0 31 -3.1 0 0.0 0 0.0 6 29
28 28 GLY G H H > TS+ 0 0 -63.0 -36.4 179.5 53.0 112.6 26.9 0 0.0 32 -3.2 0 0.0 0 0.0 7 32
29 29 CYS C H H > TS+ 0 0 -62.4 -59.1 -179.0 36.6 116.0 6.7 0 0.0 33 -3.0 0 0.0 0 0.0 14 42
30 30 CYS C H H X TS+ 0 0 -63.6 -36.4 176.8 49.4 120.2 29.8 26 -2.8 34 -2.5 0 0.0 0 0.0 14 43
31 31 SER S H H X TS+ 0 0 -66.8 -48.2 179.9 43.0 115.4 19.9 27 -3.1 35 -1.3 0 0.0 0 0.0 11 33
32 32 GLY G H H X TS+ 0 0 -63.4 -53.7 -179.7 40.7 120.6 13.0 28 -3.2 36 -1.4 0 0.0 0 0.0 12 44
33 33 VAL V H H X > TS+ 0 0 -62.2 -48.3 179.4 51.9 114.1 17.4 29 -3.0 37 -1.4 10 -0.5 36 -0.7 15 60
34 34 ARG R H H X 3 TS+ 0 0 -59.7 -23.9 179.4 58.3 106.0 36.0 30 -2.5 38 -1.3 0 0.0 0 0.0 13 46
35 35 SER S H H X 3 TS+ 0 0 -73.6 -34.5 179.1 54.3 100.8 28.6 31 -1.3 39 -1.5 0 0.0 0 0.0 10 41
36 36 LEU L H H X < TS+ 0 0 -67.2 -31.8 -179.7 58.2 103.4 31.2 32 -1.4 40 -3.8 33 -0.7 0 0.0 14 53
37 37 ASN N H H < TS+ 0 0 -64.6 -50.2 -179.8 41.1 109.3 16.7 33 -1.4 0 0.0 0 0.0 0 0.0 13 49
38 38 ASN N H H < TS+ 0 0 -68.8 -27.1 -179.9 43.3 122.7 35.1 34 -1.3 0 0.0 0 0.0 0 0.0 8 36
39 39 ALA A H H < TS+ 0 0 -84.1 -46.1 -179.7 56.8 109.2 24.5 35 -1.5 41 -1.2 0 0.0 0 0.0 9 36
40 40 ALA A h < T + 0 0 -89.0 96.0 -179.9 110.2 69.7 134.5 36 -3.8 0 0.0 0 0.0 0 0.0 14 43
41 41 ARG R + 0 0 -152.3 23.7 -179.8 77.3 53.5 82.0 39 -1.2 0 0.0 0 0.0 0 0.0 11 35
42 42 THR T S S S- 0 0 -128.3 34.0 179.9 -113.2 97.1 92.5 0 0.0 44 -3.6 0 0.0 0 0.0 7 27
43 43 THR T S h > >TS+ 0 0 67.7 -61.8 179.5 63.4 114.3 105.3 0 0.0 47 -3.9 0 0.0 48 -0.7 10 32
44 44 ALA A H H > 5TS+ 0 0 -55.9 -57.8 179.4 29.1 115.1 12.1 42 -3.6 48 -2.1 0 0.0 0 0.0 9 32
45 45 ASP D H H > 5TS+ 0 0 -71.1 -35.1 -179.8 50.8 125.6 29.7 0 0.0 49 -1.9 0 0.0 0 0.0 13 36
46 46 ARG R H H > 5TS+ 0 0 -67.4 -58.9 179.5 37.6 115.8 9.2 0 0.0 50 -3.2 0 0.0 0 0.0 15 44
47 47 ARG R H H X 5TS+ 0 0 -60.6 -43.7 178.3 58.3 113.6 19.7 43 -3.9 51 -3.7 0 0.0 0 0.0 13 42
48 48 ALA A H H X TS- 0 0 -51.9 136.4 -179.8 -100.0 80.1 102.5 56 -2.1 63 -1.7 0 0.0 62 -0.8 9 36
61 61 SER S T T 3 TS- 0 0 -62.6 102.0 -179.5 -6.9 107.5 115.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
62 62 GLY G T T 3 TS- 0 0 77.3 42.1 -179.6 -165.5 89.5 24.5 60 -0.8 0 0.0 0 0.0 0 0.0 6 28
63 63 LEU L t < T - 0 0 -64.0 122.7 179.0 -151.4 10.3 116.2 60 -1.7 65 -1.2 0 0.0 0 0.0 13 38
64 64 ASN N h > > T - 0 0 -97.6 83.9 -178.8 -166.9 7.7 134.1 18 -3.9 68 -3.4 0 0.0 67 -0.6 9 39
65 65 ALA A H H > 3 TS+ 0 0 -36.2 -53.1 179.9 53.7 87.2 29.6 63 -1.2 69 -3.1 0 0.0 0 0.0 11 39
66 66 GLY G H H > 3 TS+ 0 0 -51.7 -51.0 179.2 35.7 118.0 18.2 0 0.0 70 -2.9 0 0.0 0 0.0 8 39
67 67 ASN N H H > < TS+ 0 0 -67.2 -53.3 -179.4 51.9 117.5 13.6 64 -0.6 71 -2.9 0 0.0 0 0.0 12 43
68 68 ALA A H H < TS+ 0 0 -54.0 -32.8 -179.6 38.4 118.9 34.0 64 -3.4 0 0.0 18 -0.6 0 0.0 18 58
69 69 ALA A H H X TS+ 0 0 -86.3 -48.2 -179.3 46.3 117.4 23.9 65 -3.1 73 -1.8 0 0.0 0 0.0 12 57
70 70 SER S H H X TS+ 0 0 -65.4 -28.0 179.9 64.1 106.0 34.3 66 -2.9 74 -1.7 0 0.0 0 0.0 10 42
71 71 ILE I H H X TS+ 0 0 -58.5 -65.2 -179.4 36.9 107.6 8.3 67 -2.9 75 -3.3 0 0.0 0 0.0 13 52
72 72 PRO P H H > >TS+ 0 0 -53.8 -52.1 -179.8 56.8 115.0 21.5 0 0.0 76 -1.8 0 0.0 77 -1.2 14 62
73 73 SER S H H X >5TS+ 0 0 -44.6 -70.6 -179.4 26.1 120.9 17.9 69 -1.8 77 -1.4 0 0.0 76 -0.7 11 41
74 74 LYS K H H < 35TS+ 0 0 -64.1 -39.4 -177.9 72.2 110.5 25.1 70 -1.7 0 0.0 0 0.0 0 0.0 7 36
75 75 CYS C H H < 35TS- 0 0 -47.5 -35.1 175.9 -82.7 129.5 33.1 71 -3.3 0 0.0 0 0.0 0 0.0 13 40
76 76 GLY G H H < <5TS+ 0 0 135.2 46.7 -179.5 137.9 82.7 55.8 72 -1.8 78 -0.6 73 -0.7 0 0.0 11 35
77 77 VAL V h < TS- 0 0 -142.8 172.3 179.2 -98.7 73.2 155.0 82 -0.6 87 -1.0 0 0.0 0 0.0 13 47
85 85 THR T T T 3 TS+ 0 0 -59.7 -50.1 -179.6 49.5 122.1 17.3 0 0.0 87 -1.1 0 0.0 0 0.0 11 36
86 86 SER S T T 3 TS+ 0 0 -85.0 48.5 179.0 158.6 78.3 101.8 0 0.0 88 -0.6 0 0.0 0 0.0 6 30
87 87 THR T t < T - 0 0 -74.6 117.3 -178.7 -140.5 34.4 127.0 85 -1.1 0 0.0 84 -1.0 0 0.0 12 40
88 88 ASP D - 0 0 -83.2 136.4 176.8 -168.7 17.5 128.7 86 -0.6 0 0.0 0 0.0 0 0.0 10 31
89 89 CYS C S S S+ 0 0 -117.1 56.0 179.4 67.1 73.8 115.4 0 0.0 0 0.0 0 0.0 0 0.0 9 33
90 90 SER S S S S+ 0 0 -139.7 -38.7 -179.2 40.3 98.4 59.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
91 91 ARG R S S S+ 0 0 -98.3 2.8 179.9 86.4 99.3 65.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
92 92 VAL V 0 0 -105.8 136.2 179.2 999.9 999.9 149.8 0 0.0 0 0.0 0 0.0 0 0.0 10 30
93 93 ASN N 0 0 -125.1 999.9 999.9 999.9 999.9 115.8 0 0.0 0 0.0 0 0.0 0 0.0 10 26
1afh-.pdb
1AFH LIPID-BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSHHHHHHHGGGHHHHTTS S HHHHHHHHHHHHH SSHHHHHHHHHHHHHHTTSTT HHHHHHHHHHHH SS STT SSS Kabs/Sand
chirality +-+++++++++++++++-++-+---+++++++++++++++-+++++++++++++++++-----++++++++++-+-+-+--+-++--+++ chirality
bends SSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSS SS SSS SSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5>55<5< >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >33<>33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>X<X44<< >>>>XXXXXXX<<<< >>>>XXXXXXXX>>>X<<<< 4-turns
summary ShHHHHHHHhThHHHHhTt S hHHHHHHHHHHHHHh ShHHHHHHHHHHHHHHhTtTTthHHHHHHHHHHHHh SS tTTt SSS summary
sequence AISCGQVASAIAPCISYARGQGSGPSAGCCSGVRSLNNAARTTADRRAACNCLKNAAAGVSGLNAGNAASIPSKCGVSIPYTISTSTDCSRVN sequence
10 20 30 40 50 60 70 80 90