Secondary structure calculation program - copyright by David Keith Smith, 1989
1jb0K.pdb
1JB0 PHOTOSYNTHESIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 46
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 K 20 ILE I h > T 0 0 999.9 -76.6 179.0 999.9 999.9 999.9 0 0.0 5 -0.6 0 0.0 0 0.0 5 21
2 K 21 LEU L H H > T + 0 0 -85.3 -20.6 179.9 63.9 999.9 50.0 0 0.0 6 -2.3 0 0.0 0 0.0 10 24
3 K 22 CYS C H H > TS+ 0 0 -73.0 -35.2 179.6 58.6 94.6 32.5 0 0.0 7 -1.8 0 0.0 0 0.0 6 24
4 K 23 ASN N H H > TS+ 0 0 -60.3 -43.3 178.8 40.3 112.5 22.5 0 0.0 8 -1.7 0 0.0 0 0.0 7 24
5 K 24 LEU L H H X TS+ 0 0 -70.3 -43.7 179.9 50.9 115.7 23.1 1 -0.6 9 -1.9 0 0.0 0 0.0 13 28
6 K 25 PHE F H H X TS+ 0 0 -67.1 -19.3 179.5 54.7 108.3 44.5 2 -2.3 10 -1.2 0 0.0 0 0.0 15 28
7 K 26 ALA A H H X TS+ 0 0 -79.1 -45.4 179.1 49.5 105.7 24.2 3 -1.8 11 -1.6 0 0.0 0 0.0 9 27
8 K 27 ILE I H H X TS+ 0 0 -59.4 -39.4 179.8 53.4 109.9 27.6 4 -1.7 12 -2.5 0 0.0 0 0.0 9 28
9 K 28 ALA A H H X TS+ 0 0 -63.6 -40.2 178.9 55.2 103.1 27.7 5 -1.9 13 -0.7 0 0.0 0 0.0 12 32
10 K 29 LEU L H H < TS+ 0 0 -59.6 -35.1 -180.0 42.3 114.6 28.5 6 -1.2 0 0.0 0 0.0 0 0.0 11 31
11 K 30 GLY G H H < TS+ 0 0 -79.4 -34.8 -179.7 75.9 96.7 33.8 7 -1.6 0 0.0 0 0.0 0 0.0 8 26
12 K 31 ARG R H H < T 0 0 -51.7 -21.1 178.2 999.9 999.9 47.5 8 -2.5 15 -2.8 0 0.0 0 0.0 8 29
13!K 32 TYR Y h < T 0 0 -121.7 999.9 999.9 999.9 999.9 52.7 9 -0.7 0 0.0 0 0.0 0 0.0 9 27
14!K 34 ILE I 0 0 999.9 -32.3 -177.0 999.9 999.9 999.9 0 0.0 16 -1.1 0 0.0 0 0.0 5 18
15 K 35 GLN Q + 0 0 -93.1 71.1 177.3 92.9 999.9 121.2 12 -2.8 0 0.0 0 0.0 0 0.0 5 21
16 K 36 SER S - 0 0 -155.9 76.3 -178.7 -172.1 43.0 116.0 14 -1.1 0 0.0 0 0.0 0 0.0 6 23
17 K 37 ARG R S S S+ 0 0 -34.8 -49.1 179.9 45.2 80.0 40.7 0 0.0 19 -0.7 0 0.0 0 0.0 4 14
18 K 38 GLY G S S S+ 0 0 -111.0 95.8 179.7 163.3 75.4 143.8 0 0.0 0 0.0 0 0.0 0 0.0 4 19
19 K 39 LYS K + 0 0 -98.2 -179.0 -179.8 44.1 42.7 109.7 17 -0.7 0 0.0 0 0.0 0 0.0 7 21
20 K 40 GLY G + 0 0 88.0 -104.8 -179.5 143.6 50.2 140.6 0 0.0 0 0.0 0 0.0 0 0.0 8 17
21 K 41 PRO P S S S- 0 0 24.7 83.4 178.9 -77.8 74.8 34.6 0 0.0 0 0.0 0 0.0 0 0.0 5 14
22 K 42 GLY G 0 0 -1.3 138.5 176.4 999.9 999.9 52.6 0 0.0 0 0.0 0 0.0 0 0.0 6 12
23!K 43 LEU L 0 0 -57.4 999.9 999.9 999.9 999.9 56.9 0 0.0 0 0.0 0 0.0 0 0.0 6 13
24!K 55 GLY G 0 0 999.9 124.6 -179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 23
25 K 56 LEU L t > T - 0 0 -113.7 -162.0 179.2 -70.1 999.9 106.1 0 0.0 29 -0.8 0 0.0 0 0.0 8 19
26 K 57 PRO P T T 4 TS+ 0 0 -61.5 -38.3 179.1 53.1 135.8 26.8 0 0.0 0 0.0 0 0.0 0 0.0 8 19
27 K 58 GLU E T g 4 > TS+ 0 0 -59.6 -57.4 179.6 44.3 109.8 14.0 0 0.0 30 -1.1 0 0.0 0 0.0 9 22
28 K 59 LEU L G G 4 > TS+ 0 0 -65.9 -8.4 179.1 83.0 93.6 53.8 0 0.0 31 -1.0 0 0.0 0 0.0 10 29
29 K 60 LEU L G G < > T + 0 0 -79.3 14.7 178.6 98.0 61.4 75.5 25 -0.8 32 -1.1 0 0.0 0 0.0 10 30
30 K 61 ALA A G h > < T + 0 0 -78.3 -4.1 179.0 86.7 56.1 65.2 27 -1.1 34 -1.8 0 0.0 0 0.0 8 33
31 K 62 THR T H H > < TS+ 0 0 -66.7 -23.6 179.8 62.0 81.5 40.7 28 -1.0 35 -0.5 0 0.0 0 0.0 13 34
32 K 63 THR T H H > < TS+ 0 0 -70.3 -34.3 179.8 50.1 101.6 34.1 29 -1.1 36 -1.5 0 0.0 0 0.0 10 31
33 K 64 SER S H H > TS+ 0 0 -70.9 -52.2 178.9 43.8 111.9 16.5 0 0.0 37 -2.1 0 0.0 0 0.0 8 29
34 K 65 PHE F H H X TS+ 0 0 -66.0 -12.1 -179.5 60.0 113.1 48.1 30 -1.8 38 -1.7 0 0.0 0 0.0 10 31
35 K 66 GLY G H H X TS+ 0 0 -82.0 -40.0 179.9 43.3 104.5 31.9 31 -0.5 39 -1.8 0 0.0 0 0.0 15 29
36 K 67 HIS H H H X TS+ 0 0 -75.4 -33.3 179.1 50.9 115.4 32.8 32 -1.5 40 -2.6 0 0.0 0 0.0 11 27
37 K 68 LEU L H H X TS+ 0 0 -66.9 -53.1 179.7 44.5 112.3 15.2 33 -2.1 41 -0.9 0 0.0 0 0.0 8 27
38 K 69 LEU L H H X > TS+ 0 0 -56.2 -41.7 -179.2 48.1 117.4 24.9 34 -1.7 42 -1.9 0 0.0 41 -0.7 10 27
39 K 70 ALA A H H X 3 TS+ 0 0 -67.3 -40.9 -179.5 66.4 98.4 29.5 35 -1.8 43 -2.8 0 0.0 0 0.0 11 26
40 K 71 ALA A H H < 3 TS+ 0 0 -54.1 -24.4 -178.5 33.7 113.7 41.7 36 -2.6 0 0.0 0 0.0 0 0.0 9 23
41 K 72 GLY G H H < < TS+ 0 0 -104.3 -34.5 177.2 54.4 112.4 39.5 37 -0.9 0 0.0 38 -0.7 0 0.0 8 20
42 K 73 VAL V H H < > TS+ 0 0 -64.7 -32.5 180.0 59.5 107.4 28.6 38 -1.9 45 -0.5 0 0.0 0 0.0 8 21
43 K 74 VAL V T h < 3 TS+ 0 0 -65.3 -28.9 178.2 70.3 86.9 40.7 39 -2.8 0 0.0 0 0.0 0 0.0 9 18
44 K 75 SER S T T 3 T + 0 0 -81.1 37.8 178.6 133.9 63.1 93.3 0 0.0 46 -1.6 0 0.0 0 0.0 6 13
45 K 76 GLY G t < T 0 0 -81.9 50.4 -179.8 999.9 999.9 109.0 42 -0.5 0 0.0 0 0.0 0 0.0 5 12
46 K 77 LEU L 0 0 -131.2 999.9 999.9 999.9 999.9 57.3 44 -1.6 0 0.0 0 0.0 0 0.0 3 8
1jb0K.pdb
1JB0 PHOTOSYNTHESIS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHH SS S TTGGGHHHHHHHHHHHHTT Kabs/Sand
chirality ++++++++++ +-++++- -+++++++++++++++++++ chirality
bends SSSSSSSSS SS S SSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>><<< >33<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< >444<>>>>XXXXXX<<<< 4-turns
summary hHHHHHHHHHHHh SS S tTgGGhHHHHHHHHHHHHhTt summary
sequence ILCNLFAIALGRYIQSRGKGPGLGLPELLATTSFGHLLAAGVVSGL sequence
10 20 30 40
Messages
chain break between 13(K 32 ) and 14(K 34 )
chain break between 23(K 43 ) and 24(K 55 )