Secondary structure calculation program - copyright by David Keith Smith, 1989
1pnbB.pdb
1PNB SEED STORAGE PROTEIN 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 B 1 GLN Q 0 0 999.9 57.1 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 11
2 B 2 SER S + 0 0 -65.7 148.1 -180.0 16.6 999.9 108.6 0 0.0 0 0.0 0 0.0 0 0.0 3 6
3 B 3 GLY G S S S- 0 0 50.9 64.2 180.0 -156.9 86.8 15.5 0 0.0 0 0.0 0 0.0 0 0.0 4 6
4 B 4 PRO P + 0 0 -74.9 134.8 -180.0 137.4 39.0 122.3 0 0.0 0 0.0 0 0.0 0 0.0 5 7
5 B 5 GLN Q + 0 0 -169.4 40.5 180.0 66.1 52.3 89.4 0 0.0 0 0.0 0 0.0 0 0.0 4 8
6 B 6 GLN Q - 0 0 -165.1 152.6 180.0 -150.2 54.3 165.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
7 B 7 GLY G - 0 0 -133.4 84.5 -180.0 -173.2 22.9 137.4 0 0.0 0 0.0 0 0.0 0 0.0 4 18
8 B 8 PRO P - 0 0 -75.0 158.2 180.0 -148.3 22.4 109.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
9 B 9 TRP W S S S+ 0 0 -115.5 29.7 -180.0 101.0 73.6 95.1 0 0.0 0 0.0 0 0.0 0 0.0 6 19
10 B 10 LEU L t > T + 0 0 -79.2 -44.9 -180.0 70.5 65.1 26.0 0 0.0 13 -3.2 0 0.0 0 0.0 6 20
11 B 11 ARG R T h > > TS+ 0 0 -38.8 -41.7 -180.0 72.3 85.0 33.9 0 0.0 14 -2.9 0 0.0 15 -0.9 10 26
12 B 12 GLU E H H > 3 TS+ 0 0 -43.0 -43.5 -180.0 70.3 81.9 31.1 0 0.0 16 -5.4 0 0.0 0 0.0 10 29
13 B 13 GLN Q H H > < TS+ 0 0 -43.6 -39.7 180.0 53.3 96.3 33.1 10 -3.2 17 -1.3 0 0.0 0 0.0 9 24
14 B 14 CYS C H H > X TS+ 0 0 -61.2 -55.3 -180.0 34.8 117.2 14.6 11 -2.9 18 -0.9 0 0.0 17 -0.6 10 38
15 B 15 CYS C H H X > TS+ 0 0 -64.4 -46.5 -180.0 70.0 106.3 21.8 61 -1.2 19 -4.9 11 -0.9 18 -1.0 11 41
16 B 16 ASN N H H X 3 TS+ 0 0 -38.5 -38.1 179.9 54.1 98.0 35.1 12 -5.4 20 -2.3 0 0.0 0 0.0 9 30
17 B 17 GLU E H H < < TS+ 0 0 -64.3 -47.2 -179.9 26.1 122.3 22.1 13 -1.3 0 0.0 14 -0.6 0 0.0 8 30
18 B 18 LEU L H H < X TS+ 0 0 -81.6 -47.4 -179.9 51.3 124.4 24.9 15 -1.0 21 -0.9 14 -0.9 0 0.0 12 38
19 B 19 TYR Y H H < 3 TS+ 0 0 -53.9 -54.5 180.0 64.1 98.8 19.4 15 -4.9 0 0.0 0 0.0 0 0.0 9 33
20 B 20 GLN Q T h < 3 TS+ 0 0 -38.6 -37.9 180.0 41.2 112.7 36.0 16 -2.3 0 0.0 0 0.0 0 0.0 7 19
21 B 21 GLU E S t < TS- 0 0 -91.0 -150.0 -180.0 -53.2 119.5 80.6 18 -0.9 23 -0.6 0 0.0 0 0.0 7 20
22 B 22 ASP D g > T - 0 0 -98.4 120.8 -180.0 -133.4 39.7 148.5 0 0.0 25 -2.9 0 0.0 0 0.0 8 19
23 B 23 GLN Q G G > TS+ 0 0 -41.6 -20.6 180.0 97.9 92.9 45.3 21 -0.6 26 -0.8 0 0.0 0 0.0 8 29
24 B 24 VAL V G G 3 TS+ 0 0 -40.9 -28.2 180.0 49.8 84.2 39.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
25 B 25 CYS C G G < TS+ 0 0 -113.9 66.0 179.9 105.1 84.8 125.9 22 -2.9 0 0.0 0 0.0 0 0.0 9 32
26 B 26 VAL V S h > X TS+ 0 0 -104.0 -85.4 180.0 11.1 92.4 41.0 23 -0.8 29 -1.3 0 0.0 30 -1.0 14 43
27 B 27 CYS C H H > 3 TS+ 0 0 -66.2 -29.1 180.0 59.0 129.8 36.7 0 0.0 31 -2.4 0 0.0 0 0.0 10 45
28 B 28 PRO P H H > 3 TS+ 0 0 -75.0 -9.9 -180.0 60.9 98.5 54.9 0 0.0 32 -0.9 0 0.0 0 0.0 9 36
29 B 29 THR T H H > < TS+ 0 0 -83.7 -36.3 180.0 36.1 110.9 34.2 26 -1.3 33 -0.5 0 0.0 0 0.0 11 41
30 B 30 LEU L H H X > TS+ 0 0 -81.4 -47.1 -180.0 66.1 107.1 25.1 26 -1.0 34 -2.0 0 0.0 33 -1.2 15 46
31 B 31 LYS K H H X 3 TS+ 0 0 -38.0 -57.6 -180.0 48.1 103.0 27.0 27 -2.4 35 -1.4 0 0.0 0 0.0 13 36
32 B 32 GLN Q H H X 3 TS+ 0 0 -54.3 -35.3 180.0 59.2 107.5 33.1 28 -0.9 36 -0.6 0 0.0 0 0.0 9 35
33 B 33 ALA A H H X X TS+ 0 0 -57.7 -59.1 180.0 56.2 97.3 13.3 30 -1.2 36 -2.9 29 -0.5 37 -1.8 12 36
34 B 34 ALA A H H X 3 TS+ 0 0 -41.0 -39.4 -180.0 74.8 92.4 33.4 30 -2.0 38 -1.4 71 -1.1 0 0.0 14 39
35 B 35 LYS K H H X 3 TS+ 0 0 -41.3 -46.8 180.0 30.9 107.9 29.4 31 -1.4 39 -0.8 0 0.0 0 0.0 9 34
36 B 36 SER S H H < < TS+ 0 0 -78.8 -49.7 -180.0 56.0 118.7 22.1 33 -2.9 0 0.0 32 -0.6 0 0.0 8 30
37 B 37 VAL V H H < TS+ 0 0 -44.3 -79.7 -180.0 49.7 105.0 18.7 33 -1.8 0 0.0 0 0.0 0 0.0 8 33
38 B 38 ARG R H H < TS+ 0 0 -23.5 -81.3 -180.0 117.6 74.7 37.6 34 -1.4 0 0.0 0 0.0 0 0.0 12 30
39 B 39 VAL V S h < > TS- 0 0 2.1 100.0 180.0 -120.4 78.1 58.7 35 -0.8 42 -0.6 0 0.0 0 0.0 9 25
40 B 40 GLN Q G G > TS+ 0 0 -19.0 -96.6 180.0 114.1 80.0 43.3 0 0.0 43 -3.9 0 0.0 42 -2.0 9 17
41 B 41 GLY G G G 3 TS+ 0 0 55.8 -82.4 180.0 2.8 104.3 107.6 0 0.0 0 0.0 0 0.0 0 0.0 5 14
42 B 42 GLN Q G G < TS+ 0 0 -109.9 -2.4 -180.0 46.2 143.6 67.5 40 -2.0 0 0.0 39 -0.6 0 0.0 5 14
43 B 43 HIS H g < T - 0 0 -139.6 64.3 -180.0 -177.8 69.3 119.0 40 -3.9 0 0.0 0 0.0 0 0.0 8 15
44 B 44 GLY G S S S+ 0 0 -23.9 -91.5 -180.0 30.6 70.2 38.4 0 0.0 0 0.0 0 0.0 0 0.0 8 15
45 B 45 PRO P S S S+ 0 0 -75.0 157.9 -180.0 142.8 77.6 109.9 0 0.0 0 0.0 0 0.0 0 0.0 6 18
46 B 46 PHE F - 0 0 -174.6 -178.7 -180.0 -106.9 53.8 164.8 0 0.0 0 0.0 0 0.0 0 0.0 8 22
47 B 47 GLN Q h > >T + 0 0 -126.5 56.9 179.9 166.2 36.1 116.2 0 0.0 51 -2.3 0 0.0 52 -0.8 8 26
48 B 48 SER S H H > 5TS+ 0 0 -38.9 -37.5 180.0 51.4 84.1 35.9 0 0.0 52 -0.8 0 0.0 0 0.0 9 32
49 B 49 THR T H H > 5TS+ 0 0 -67.4 -50.0 180.0 24.4 124.8 19.5 0 0.0 53 -1.0 0 0.0 0 0.0 6 27
50 B 50 ARG R H H > 5TS+ 0 0 -78.4 -62.3 -180.0 57.2 118.0 14.0 0 0.0 54 -1.4 0 0.0 0 0.0 8 25
51 B 51 ILE I H H X 5TS+ 0 0 -37.8 -34.8 -180.0 64.8 102.9 37.1 47 -2.3 55 -1.7 0 0.0 0 0.0 11 35
52 B 52 TYR Y H H < > T + 0 0 -143.7 99.5 -180.0 177.5 31.3 145.4 0 0.0 68 -1.3 0 0.0 67 -1.3 6 26
65 B 65 LYS K T T 4 3 TS+ 0 0 -76.8 -3.0 -180.0 73.9 82.1 60.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
66 B 66 GLN Q T T 4 3 TS+ 0 0 -83.4 -14.5 -180.0 40.0 101.7 52.3 0 0.0 0 0.0 0 0.0 0 0.0 4 20
67 B 67 ILE I T T 4 < TS- 0 0 -96.3 -58.0 180.0 -98.8 116.7 28.7 64 -1.3 0 0.0 0 0.0 0 0.0 7 31
68 B 68 GLY G t < T - 0 0 148.3 162.2 180.0 -150.7 30.4 135.2 64 -1.3 0 0.0 0 0.0 0 0.0 8 37
69 B 69 THR T + 0 0 -158.8 155.2 180.0 154.4 17.7 169.9 0 0.0 0 0.0 0 0.0 0 0.0 12 44
70 B 70 CYS C - 0 0 -168.8 175.5 180.0 -60.3 50.9 162.8 0 0.0 0 0.0 0 0.0 0 0.0 16 47
71 B 71 PRO P - 0 0 -75.0 127.3 180.0 -167.8 53.2 125.0 0 0.0 34 -1.1 0 0.0 0 0.0 15 42
72 B 72 PHE F - 0 0 -97.3 -161.7 -179.9 -152.2 2.7 95.0 0 0.0 0 0.0 0 0.0 0 0.0 11 46
73 B 73 ILE I - 0 0 -165.7 169.8 180.0 -136.2 3.6 165.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
74 B 74 ALA A 0 0 -130.1 175.4 179.9 999.9 999.9 139.7 0 0.0 0 0.0 0 0.0 0 0.0 4 24
75 B 75 ILE I 0 0 -55.9 999.9 999.9 999.9 999.9 106.6 0 0.0 0 0.0 0 0.0 0 0.0 2 12
1pnbB.pdb
1PNB SEED STORAGE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S S THHHHHHHHTS GGGSHHHHHHHHHHHHSGGG SS HHHHHHH S S SS TTT Kabs/Sand
chirality +-++---++++++++++++--++++++++++++++++-+++-++-++++++++----++--++++--+---- chirality
bends S S SSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SS SSSSSSS S S SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >>33>333X33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XX<<<< >>>>XXXXXX<<<< >>>>X<<<< >444< 4-turns
summary S SthHHHHHHHHhtgGGGhHHHHHHHHHHHHhGGGgSS hHHHHHHHh S S SS tTTTt summary
sequence QSGPQQGPWLREQCCNELYQEDQVCVCPTLKQAAKSVRVQGQHGPFQSTRIYQIAKNLPNVCNMKQIGTCPFIAI sequence
10 20 30 40 50 60 70