Secondary structure calculation program - copyright by David Keith Smith, 1989
1f0zA.pdb
1F0Z TRANSPORT PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 66
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 1 MET M 0 0 999.9 166.6 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 26
2 A 2 GLN Q e - 0 0 -144.0 158.0 -177.0 -179.2 999.9 164.7 0 0.0 54 -4.0 0 0.0 55 -1.5 13 32
3 A 3 ILE I E E AaB - 55 10 -145.0 176.3 175.1 -119.9 28.6 156.8 10 -2.1 10 -2.6 0 0.0 5 -0.5 15 40
4 A 4 LEU L E E AaB - 56 9 -125.2 107.7 -179.4 -171.3 24.6 157.8 55 -3.4 57 -2.5 0 0.0 6 -0.8 13 35
5 A 5 PHE F E E Aa S- 57 0 -102.3 104.9 -178.7 -24.9 77.1 145.6 8 -4.0 0 0.0 3 -0.5 0 0.0 11 47
6 A 6 ASN N S e S- 0 0 57.8 58.3 -179.4 -45.1 129.7 8.2 57 -1.7 0 0.0 4 -0.8 0 0.0 7 31
7 A 7 ASP D S S S+ 0 0 57.6 19.5 177.8 122.1 119.1 45.3 57 -0.7 9 -0.6 0 0.0 0 0.0 7 21
8 A 8 GLN Q e - 0 0 -112.0 118.2 -179.3 -136.1 60.1 157.5 0 0.0 5 -4.0 0 0.0 0 0.0 7 24
9 A 9 ALA A E E AB + 4 0 -71.5 151.0 -178.2 169.2 32.9 112.0 7 -0.6 0 0.0 0 0.0 0 0.0 8 27
10 A 10 MET M E E AB - 3 0 -150.7 172.6 173.8 -132.0 33.1 165.8 3 -2.6 3 -2.1 0 0.0 0 0.0 8 32
11 A 11 GLN Q + 0 0 -135.5 117.3 -178.4 139.8 42.2 164.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
12 A 12 CYS C - 0 0 -134.5 -158.8 -178.6 -48.7 59.0 121.1 0 0.0 14 -1.0 0 0.0 0 0.0 11 32
13 A 13 ALA A t > T - 0 0 -87.5 101.3 178.6 -138.3 54.0 135.1 0 0.0 16 -2.2 0 0.0 0 0.0 10 31
14 A 14 ALA A T T 3 TS+ 0 0 -56.4 138.8 179.8 30.0 91.0 105.7 12 -1.0 0 0.0 0 0.0 0 0.0 9 34
15 A 15 GLY G T T 3 TS+ 0 0 93.6 -12.6 179.6 124.6 90.1 75.2 51 -3.3 17 -0.5 0 0.0 0 0.0 8 30
16 A 16 GLN Q t < T - 0 0 -81.0 123.1 -179.6 -126.3 62.0 131.8 13 -2.2 51 -1.0 0 0.0 0 0.0 11 34
17 A 17 THR T h > T - 0 0 -52.1 -169.0 177.1 -94.0 30.7 78.5 15 -0.5 21 -2.4 0 0.0 0 0.0 12 45
18 A 18 VAL V H H > >TS+ 0 0 -75.1 -54.4 176.0 52.1 131.7 15.0 46 -1.2 22 -3.0 0 0.0 23 -0.7 14 53
19 A 19 HIS H H H > 5TS+ 0 0 -50.2 -27.0 177.5 43.6 117.9 28.3 46 -2.0 23 -1.0 0 0.0 0 0.0 12 42
20 A 20 GLU E H H > 5TS+ 0 0 -84.3 -38.4 179.2 44.3 117.2 29.7 0 0.0 24 -2.0 0 0.0 0 0.0 11 39
21 A 21 LEU L H H X 5TS+ 0 0 -68.8 -59.3 179.7 42.4 117.8 7.9 17 -2.4 25 -3.5 0 0.0 0 0.0 12 50
22 A 22 LEU L H H X >TS+ 0 0 -52.2 -55.2 179.6 45.9 118.2 16.0 18 -3.0 27 -4.3 0 0.0 26 -1.5 10 52
23 A 23 GLU E H H < TS- 0 39 -104.7 135.8 -179.1 -5.4 78.0 148.4 39 -1.9 39 -2.9 34 -0.5 0 0.0 11 46
37 A 37 ASN N T T 3 TS- 0 0 56.1 22.8 179.3 -61.6 131.8 37.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31
38 A 38 GLN Q T T 3 TS+ 0 0 82.5 0.3 178.1 121.2 112.8 64.9 0 0.0 40 -0.8 0 0.0 0 0.0 8 23
39 A 39 GLN Q E E BD < T - 36 0 -97.6 109.6 -178.9 -143.0 59.2 143.5 36 -2.9 36 -1.9 0 0.0 41 -0.7 6 26
40 A 40 ILE I E E BD - 35 0 -72.8 113.8 -179.8 -166.7 23.4 124.3 38 -0.8 0 0.0 0 0.0 0 0.0 9 30
41 A 41 VAL V E E BD - 34 0 -103.6 148.2 177.6 -107.6 25.3 142.3 34 -1.7 34 -0.9 39 -0.7 0 0.0 10 35
42 A 42 PRO P h > > T - 0 0 -75.1 122.8 179.0 -117.4 32.8 124.5 0 0.0 45 -2.8 0 0.0 46 -0.6 8 35
43 A 43 ARG R H H > > TS+ 0 0 -21.0 -59.3 -178.1 67.2 110.1 42.2 0 0.0 46 -2.2 0 0.0 47 -0.6 10 37
44 A 44 GLU E H H 4 > TS+ 0 0 -39.6 -46.9 -179.7 55.4 96.6 28.7 0 0.0 47 -1.5 0 0.0 0 0.0 6 29
45 A 45 GLN Q H H > X TS+ 0 0 -60.0 -31.9 -179.7 84.8 83.3 32.7 42 -2.8 48 -3.8 0 0.0 49 -1.8 9 30
46 A 46 TRP W H H < < TS+ 0 0 -39.9 -33.6 -178.7 55.2 88.6 33.4 43 -2.2 19 -2.0 42 -0.6 18 -1.2 13 44
47 A 47 ALA A T h < < TS+ 0 0 -76.3 -19.5 178.9 25.4 122.3 42.5 44 -1.5 0 0.0 43 -0.6 0 0.0 11 30
48 A 48 GLN Q T T 4 < TS+ 0 0 -124.4 10.3 -179.9 102.1 96.2 76.2 45 -3.8 50 -1.3 0 0.0 0 0.0 9 23
49 A 49 HIS H t < T - 0 0 -95.0 74.6 -178.5 -152.4 66.3 126.5 45 -1.8 0 0.0 0 0.0 0 0.0 9 37
50 A 50 ILE I - 0 0 -51.5 128.3 -178.9 -138.4 11.0 102.2 48 -1.3 0 0.0 0 0.0 0 0.0 11 37
51 A 51 VAL V - 0 0 -89.8 148.3 -178.9 -148.4 13.9 127.4 16 -1.0 15 -3.3 0 0.0 0 0.0 11 44
52 A 52 GLN Q t > T - 0 0 -120.4 150.2 177.6 -82.9 35.3 155.4 0 0.0 55 -1.4 0 0.0 0 0.0 11 35
53 A 53 ASP D T T 3 TS+ 0 0 -48.6 111.4 -177.2 38.3 127.1 102.5 0 0.0 0 0.0 0 0.0 0 0.0 12 28
54 A 54 GLY G T T 3 TS+ 0 0 116.1 12.3 -178.8 174.3 84.3 62.5 2 -4.0 0 0.0 0 0.0 0 0.0 8 32
55 A 55 ASP D E E Aa < T - 3 0 -54.0 111.5 176.9 -160.2 14.2 107.7 2 -1.5 4 -3.4 52 -1.4 0 0.0 12 43
56 A 56 GLN Q E E Aa - 4 0 -93.2 144.3 -178.0 -171.7 12.3 134.0 0 0.0 0 0.0 0 0.0 0 0.0 11 43
57 A 57 ILE I E E Aa - 5 0 -140.7 148.2 175.9 -158.7 19.7 172.8 4 -2.5 6 -1.7 0 0.0 7 -0.7 14 52
58 A 58 LEU L e - 0 0 -118.9 144.4 -177.2 -138.5 20.5 155.8 0 0.0 35 -0.6 0 0.0 60 -0.5 13 38
59 A 59 LEU L E E BC - 34 0 -111.6 126.2 178.6 -174.7 17.3 154.5 0 0.0 0 0.0 0 0.0 0 0.0 10 39
60 A 60 PHE F E E BC - 33 0 -114.7 139.0 179.8 -133.8 20.8 156.5 33 -3.4 33 -1.3 58 -0.5 62 -0.6 8 32
61 A 61 GLN Q E E BC - 32 0 -94.2 124.4 179.3 -24.1 69.0 142.1 0 0.0 0 0.0 0 0.0 0 0.0 7 24
62 A 62 VAL V S e S- 0 0 57.0 153.8 179.5 -87.7 83.3 66.5 31 -2.5 64 -1.1 60 -0.6 0 0.0 8 22
63 A 63 ILE I + 0 0 -97.5 95.2 -177.7 157.5 64.4 141.1 0 0.0 0 0.0 0 0.0 0 0.0 8 20
64 A 64 ALA A + 0 0 -125.2 124.1 180.0 169.2 11.3 165.1 62 -1.1 0 0.0 0 0.0 0 0.0 4 16
65 A 65 GLY G 0 0 -134.7 135.9 -179.8 999.9 999.9 173.7 0 0.0 0 0.0 0 0.0 0 0.0 3 11
66 A 66 GLY G 0 0 114.1 999.9 999.9 999.9 999.9 131.7 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1f0zA.pdb
1F0Z TRANSPORT PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEESS EE TT HHHHHHHHT SSEEEEETTEEE HHHHTT TTEEE EEES Kabs/Sand
chirality -----+-+-+--++--+++++++-++-+-+------+----++++++----++--------++ chirality
bends SSS SS SSSSSSSSS SS SSS SSSSSS SS S bends
turns TTTTTTTTTTTTTTT TTTT TTTTTTTT TTTT turns
5-turns >555><555< 5-turns
3-turns >33< >33< >>>X<<< >33< 3-turns
bridge-2 BB DDD bridge-2
bridge-1 aaa BB CCC DDD aaa CCC bridge-1
sheets AAA AA BBBBB BBB AAA BBB sheets
4-turns >>>>XX<<<< >>4><<4< 4-turns
summary eEEEeSeEE tTTthHHHHHHHHht SeEEEEETTEEEhHHHHhTt tTTEEEeEEEe summary
sequence MQILFNDQAMQCAAGQTVHELLEQLDQRQAGAALAINQQIVPREQWAQHIVQDGDQILLFQVIAGG sequence
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