Secondary structure calculation program - copyright by David Keith Smith, 1989
1clf-.pdb
1CLF ELECTRON TRANSFER (IRON-SULFUR PROTEIN) MOL_ID: 1; MOL_ID: 1;
Sequence length - 55
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 0 999.9 155.1 -177.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
2 2 TYR Y - 0 0 -129.6 -159.6 177.1 -109.6 999.9 114.6 0 0.0 0 0.0 0 0.0 0 0.0 10 36
3 3 LYS K - 0 0 -128.3 161.8 153.5 -106.5 31.5 145.7 0 0.0 53 -1.7 0 0.0 5 -1.0 12 45
4 4 ILE I B B A - 52 0 -79.8 100.8 -176.8 -151.7 56.9 154.2 0 0.0 0 0.0 0 0.0 0 0.0 14 50
5 5 ALA A t > T - 0 0 -76.3 174.0 -175.7 -82.5 30.1 101.4 51 -3.1 8 -3.0 3 -1.0 0 0.0 10 35
6 6 ASP D T T 3 TS+ 0 0 -54.3 -16.5 166.9 81.8 117.9 52.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
7 7 SER S T T 3 TS+ 0 0 -51.3 -33.0 -179.9 102.3 77.0 34.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
8 8 CYS C t < T - 0 0 -55.7 130.3 155.7 -167.1 55.4 107.6 5 -3.0 0 0.0 0 0.0 0 0.0 12 36
9 9 VAL V - 0 0 -102.2 150.1 178.7 -98.8 46.4 154.5 0 0.0 11 -2.8 0 0.0 0 0.0 7 31
10 10 SER S S S S+ 0 0 -67.6 70.5 -172.4 141.8 73.9 110.7 0 0.0 0 0.0 0 0.0 0 0.0 7 30
11 11 CYS C - 0 0 -91.2 -22.7 174.2 -144.9 49.3 45.2 9 -2.8 0 0.0 0 0.0 0 0.0 5 30
12 12 GLY G t > T + 0 0 90.0 -30.7 -164.6 121.1 60.6 91.2 0 0.0 14 -2.6 0 0.0 15 -1.0 6 33
13 13 ALA A T T 3 TS+ 0 0 -79.1 56.5 171.0 46.0 70.7 103.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
14 14 CYS C T T > > TS+ 0 0 -155.6 -31.7 170.4 83.4 85.3 72.4 12 -2.6 18 -1.9 0 0.0 17 -1.0 10 43
15 15 ALA A T T 4 < TS+ 0 0 -36.0 -60.4 -179.5 32.6 105.7 28.1 12 -1.0 0 0.0 0 0.0 0 0.0 10 39
16 16 SER S T T 4 3 TS+ 0 0 -75.9 -15.2 -169.7 68.9 111.2 53.1 0 0.0 0 0.0 0 0.0 0 0.0 8 27
17 17 GLU E T T 4 < TS+ 0 0 -81.4 -34.2 174.0 93.3 75.0 36.5 14 -1.0 0 0.0 0 0.0 0 0.0 10 34
18 18 CYS C S t < > TS- 0 0 -58.2 122.4 178.0 -139.9 75.8 118.5 14 -1.9 21 -1.8 0 0.0 0 0.0 11 38
19 19 PRO P T T 3 TS+ 0 0 -54.1 -33.5 -178.3 38.4 107.5 35.7 0 0.0 0 0.0 0 0.0 0 0.0 7 26
20 20 VAL V T T 3 TS- 0 0 -101.1 7.4 179.3 -128.2 107.1 71.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
21 21 ASN N t < T + 0 0 49.1 35.2 -174.0 157.3 52.4 36.9 18 -1.8 23 -1.2 0 0.0 0 0.0 8 34
22 22 ALA A e + 0 0 -81.2 36.4 -170.6 87.9 43.1 97.9 0 0.0 33 -2.4 0 0.0 0 0.0 12 34
23 23 ILE I E E AA + 32 0 -142.3 147.6 173.5 138.5 38.3 169.9 21 -1.2 0 0.0 0 0.0 0 0.0 12 47
24 24 SER S E E AA - 31 0 -169.8 174.2 175.7 -74.4 60.2 157.2 31 -1.5 31 -2.3 0 0.0 0 0.0 8 37
25 25 GLN Q E E AA + 30 0 -85.4 128.7 -161.4 149.7 64.7 141.2 0 0.0 0 0.0 0 0.0 0 0.0 9 31
26 26 GLY G e + 0 0 -128.0 -67.9 -166.3 14.3 58.4 39.9 29 -2.0 0 0.0 0 0.0 0 0.0 7 26
27 27 ASP D S S S- 0 0 -99.0 -52.5 156.5 -54.8 128.9 27.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
28 28 SER S S S S+ 0 0 -141.8 -50.5 -175.5 31.5 125.0 80.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
29 29 ILE I S e S- 0 0 -91.1 -161.1 171.9 -45.2 112.4 87.9 0 0.0 26 -2.0 0 0.0 0 0.0 11 32
30 30 PHE F E E AA - 25 0 -68.7 161.9 -170.8 -165.3 61.2 106.7 0 0.0 0 0.0 0 0.0 0 0.0 14 43
31 31 VAL V E E AA - 24 0 -145.9 162.8 -177.4 -135.3 10.6 154.9 24 -2.3 24 -1.5 0 0.0 0 0.0 11 44
32 32 ILE I E E AA - 23 0 -128.9 138.6 165.5 -126.7 22.1 170.5 0 0.0 34 -2.2 0 0.0 0 0.0 11 47
33 33 ASP D e > > T - 0 0 -73.6 76.1 -168.8 -174.6 38.2 127.0 22 -2.4 37 -2.5 0 0.0 36 -2.0 8 35
34 34 ALA A T T 4 3 TS+ 0 0 -56.0 -33.0 166.5 59.6 77.1 37.5 32 -2.2 0 0.0 0 0.0 0 0.0 10 34
35 35 ASP D T T 4 3 TS+ 0 0 -43.9 -48.1 -165.0 34.8 115.8 29.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
36 36 THR T T T 4 < TS+ 0 0 -98.8 -29.9 165.2 97.2 96.0 45.7 33 -2.0 0 0.0 0 0.0 0 0.0 7 24
37 37 CYS C t < T - 0 0 -52.9 134.7 159.4 -156.5 58.9 115.1 33 -2.5 0 0.0 0 0.0 0 0.0 11 33
38 38 ILE I - 0 0 -107.9 137.9 -176.3 -102.7 36.0 165.4 0 0.0 40 -2.3 0 0.0 0 0.0 6 26
39 39 ASP D + 0 0 -61.0 74.1 -169.5 144.9 68.7 108.0 0 0.0 0 0.0 0 0.0 0 0.0 6 30
40 40 CYS C - 0 0 -96.6 -20.0 175.3 -130.3 55.6 48.1 38 -2.3 0 0.0 0 0.0 0 0.0 5 30
41 41 GLY G S t > TS+ 0 0 92.5 -35.3 163.5 115.9 71.9 97.6 0 0.0 45 -2.6 0 0.0 0 0.0 6 33
42 42 ASN N T T 4 TS+ 0 0 -54.6 165.4 -152.3 34.5 75.2 98.2 0 0.0 44 -2.3 0 0.0 0 0.0 9 34
43 43 CYS C T T > TS+ 0 0 60.6 -57.6 -176.6 58.1 118.0 117.7 0 0.0 47 -2.8 0 0.0 0 0.0 10 46
44 44 ALA A T T 4 TS+ 0 0 -62.4 -40.4 174.4 48.3 106.3 22.4 42 -2.3 0 0.0 0 0.0 0 0.0 10 43
45 45 ASN N T T < TS+ 0 0 -59.8 -37.3 -169.4 42.1 117.2 36.8 41 -2.6 0 0.0 0 0.0 0 0.0 7 25
46 46 VAL V T T 4 TS+ 0 0 -85.9 -40.6 -170.1 103.9 83.2 30.0 0 0.0 0 0.0 0 0.0 0 0.0 10 30
47 47 CYS C t < > T - 0 0 -54.7 118.8 179.7 -139.8 67.9 104.3 43 -2.8 50 -2.2 0 0.0 0 0.0 11 37
48 48 PRO P T T 3 TS+ 0 0 -45.1 -36.2 -176.1 30.1 104.5 39.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
49 49 VAL V T T 3 TS- 0 0 -114.4 14.3 177.1 -115.4 110.5 81.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
50 50 GLY G t < T + 0 0 50.7 50.7 179.9 158.0 56.4 25.2 47 -2.2 0 0.0 0 0.0 0 0.0 11 35
51 51 ALA A + 0 0 -80.0 -23.8 168.2 101.3 40.1 48.1 0 0.0 5 -3.1 0 0.0 53 -2.0 13 40
52 52 PRO P B B A + 4 0 -60.1 82.3 -172.8 124.3 59.6 119.9 0 0.0 0 0.0 0 0.0 0 0.0 11 48
53 53 VAL V - 0 0 -159.8 153.2 -138.5 -74.1 56.8 157.2 51 -2.0 0 0.0 3 -1.7 0 0.0 10 35
54 54 GLN Q 0 0 -90.0 149.7 146.7 999.9 999.9 98.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
55 55 GLU E 0 0 -124.1 999.9 999.9 999.9 999.9 154.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
1clf-.pdb
1CLF ELECTRON TRANSFER (IRON-SULFUR PROTEIN) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B TT S TTTTTSTT EEE SSSEEE TTT STTTTT TT B Kabs/Sand
chirality ----++--+-++++++-+-+++-++-+-----+++--+-++++++-+-+++- chirality
bends SS S SSSSSSSS SSS SSS SSSSSS SS bends
turns TTTT TTTTTTTTTT TTTTT TTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >3><3<>33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A AAA AAA A bridge-1
sheets AAA AAA sheets
4-turns >444< >444< >4>4<4< 4-turns
summary BtTTt S tTTTTTtTTteEEEeSSeEEEeTTTt tTTTTTtTTt B summary
sequence AYKIADSCVSCGACASECPVNAISQGDSIFVIDADTCIDCGNCANVCPVGAPVQE sequence
10 20 30 40 50