Secondary structure calculation program - copyright by David Keith Smith, 1989
1eijA.pdb
1EIJ STRUCTURAL GENOMICS MOL_ID: 1; MOL_ID: 1;
Sequence length - 72
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 0 999.9 129.6 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 6
2 A 2 ARG R + 0 0 61.0 177.0 -179.9 61.3 999.9 83.6 0 0.0 4 -3.4 0 0.0 0 0.0 5 9
3 A 3 GLN Q S S S+ 0 0 69.1 -64.9 179.9 38.8 116.2 108.5 0 0.0 0 0.0 0 0.0 0 0.0 6 10
4 A 4 GLN Q S S S+ 0 0 -82.1 -37.1 179.9 102.7 88.7 32.2 2 -3.4 6 -0.7 0 0.0 0 0.0 6 10
5 A 5 LEU L S S S- 0 0 -52.0 96.3 179.2 -74.4 110.8 106.6 0 0.0 7 -1.0 0 0.0 0 0.0 6 10
6 A 6 GLU E - 0 0 48.5 -88.5 -180.0 -162.3 61.5 101.7 4 -0.7 0 0.0 0 0.0 0 0.0 5 16
7 A 7 MET M - 0 0 75.1 81.7 179.9 -149.8 7.6 13.5 5 -1.0 9 -1.5 0 0.0 0 0.0 8 19
8 A 8 GLN Q S S S+ 0 0 -85.5 86.6 -179.9 66.2 74.7 129.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
9 A 9 LYS K S h > > TS+ 0 0 -161.3 -61.9 179.9 53.8 86.2 79.9 7 -1.5 13 -1.4 0 0.0 12 -1.0 7 36
10 A 10 LYS K H H > 3 TS+ 0 0 -58.6 -33.0 179.0 68.2 99.9 32.7 0 0.0 14 -1.5 0 0.0 0 0.0 8 32
11 A 11 GLN Q H H 4 3 TS+ 0 0 -53.7 -39.4 177.9 46.5 102.1 26.8 0 0.0 0 0.0 0 0.0 0 0.0 8 29
12 A 12 ILE I H H > X TS+ 0 0 -67.7 -43.2 -178.9 62.2 103.2 25.7 9 -1.0 16 -2.6 0 0.0 15 -2.2 13 33
13 A 13 MET M H H < 3 TS+ 0 0 -53.9 -29.7 -179.0 55.9 100.1 38.3 9 -1.4 0 0.0 0 0.0 0 0.0 10 32
14 A 14 MET M T h < 3 TS+ 0 0 -78.5 -17.1 -178.6 39.0 114.0 48.9 10 -1.5 0 0.0 0 0.0 0 0.0 7 25
15 A 15 GLN Q T T 4 < TS- 0 0 -99.3 -46.9 178.8 -46.7 142.0 29.8 12 -2.2 0 0.0 0 0.0 0 0.0 9 29
16 A 16 ILE I S t < TS+ 0 0 179.0 40.0 -179.9 123.5 92.5 82.8 12 -2.6 0 0.0 0 0.0 0 0.0 10 33
17 A 17 LEU L - 0 0 -120.0 129.5 179.1 -174.7 31.6 162.8 0 0.0 0 0.0 0 0.0 0 0.0 15 38
18 A 18 THR T h > > T - 0 0 -120.4 144.5 178.9 -119.7 37.5 159.5 0 0.0 21 -1.5 0 0.0 22 -1.3 9 31
19 A 19 PRO P H H > 3 TS+ 0 0 -48.1 -29.7 179.4 55.2 118.9 36.9 0 0.0 23 -1.7 0 0.0 0 0.0 6 29
20 A 20 GLU E H H > 3 TS+ 0 0 -73.4 -34.5 -179.4 61.6 98.2 33.7 0 0.0 24 -3.0 0 0.0 0 0.0 8 27
21 A 21 ALA A H H > < TS+ 0 0 -57.9 -50.1 179.6 39.8 109.5 19.8 18 -1.5 25 -2.1 0 0.0 0 0.0 13 40
22 A 22 ARG R H H X TS+ 0 0 -65.0 -49.3 179.6 44.7 120.0 18.9 18 -1.3 26 -1.9 0 0.0 0 0.0 10 44
23 A 23 SER S H H X TS+ 0 0 -64.2 -31.4 179.6 59.0 109.9 34.9 19 -1.7 27 -1.8 0 0.0 0 0.0 8 29
24 A 24 ARG R H H X TS+ 0 0 -61.9 -54.9 179.9 47.5 104.5 14.8 20 -3.0 28 -3.4 0 0.0 0 0.0 9 34
25 A 25 LEU L H H X TS+ 0 0 -52.0 -52.7 178.2 45.8 114.9 19.4 21 -2.1 29 -1.8 0 0.0 0 0.0 9 42
26 A 26 ALA A H H < TS+ 0 0 -58.8 -33.4 -179.4 50.0 115.3 34.2 22 -1.9 0 0.0 0 0.0 0 0.0 8 31
27 A 27 ASN N H H < > TS+ 0 0 -72.5 -42.2 -178.3 47.1 110.5 28.9 23 -1.8 30 -0.9 0 0.0 0 0.0 8 26
28 A 28 LEU L H H X > TS+ 0 0 -72.5 -24.0 -177.5 86.3 88.5 44.1 24 -3.4 31 -2.3 0 0.0 32 -0.8 11 33
29 A 29 ARG R T h < 3 TS+ 0 0 -49.1 -29.3 179.6 47.0 93.0 37.2 25 -1.8 0 0.0 0 0.0 0 0.0 10 29
30 A 30 LEU L T T 4 < TS+ 0 0 -87.4 -16.4 -179.9 47.5 115.4 50.3 27 -0.9 0 0.0 0 0.0 0 0.0 7 18
31 A 31 THR T T T 4 < TS+ 0 0 -86.8 -82.3 179.3 4.0 122.7 24.2 28 -2.3 0 0.0 0 0.0 0 0.0 6 22
32 A 32 ARG R h X T - 0 0 -112.6 128.5 177.5 -160.3 50.6 158.4 28 -0.8 36 -1.0 0 0.0 0 0.0 9 27
33 A 33 PRO P H H > TS+ 0 0 -72.9 -19.1 -178.0 65.7 90.6 48.3 0 0.0 37 -1.8 0 0.0 0 0.0 9 25
34 A 34 ASP D H H > TS+ 0 0 -69.5 -48.5 -179.6 51.6 96.7 20.8 0 0.0 38 -2.0 0 0.0 0 0.0 8 31
35 A 35 PHE F H H > TS+ 0 0 -53.4 -54.0 -177.6 44.0 113.5 19.5 0 0.0 39 -2.4 0 0.0 0 0.0 14 40
36 A 36 VAL V H H X TS+ 0 0 -60.5 -47.0 -175.9 53.6 111.1 24.8 32 -1.0 40 -3.5 0 0.0 0 0.0 11 40
37 A 37 GLU E H H X TS+ 0 0 -57.3 -54.3 -179.4 31.0 119.5 16.7 33 -1.8 41 -1.7 0 0.0 0 0.0 8 30
38 A 38 GLN Q H H X TS+ 0 0 -70.0 -51.8 178.9 46.7 123.9 15.0 34 -2.0 42 -1.7 0 0.0 0 0.0 9 31
39 A 39 ILE I H H X TS+ 0 0 -56.6 -41.8 -179.8 59.8 107.4 24.3 35 -2.4 43 -4.2 0 0.0 0 0.0 11 45
40 A 40 GLU E H H X TS+ 0 0 -53.0 -50.4 179.6 52.3 102.3 21.2 36 -3.5 44 -4.5 0 0.0 0 0.0 10 41
41 A 41 LEU L H H X TS+ 0 0 -50.8 -53.0 -179.7 33.7 119.9 19.4 37 -1.7 45 -1.6 0 0.0 0 0.0 8 27
42 A 42 GLN Q H H X TS+ 0 0 -72.3 -33.5 -178.5 49.8 122.3 33.8 38 -1.7 46 -1.6 0 0.0 0 0.0 9 34
43 A 43 LEU L H H X TS+ 0 0 -71.0 -51.0 -179.2 45.9 111.1 19.9 39 -4.2 47 -2.7 0 0.0 0 0.0 11 48
44 A 44 ILE I H H X TS+ 0 0 -60.7 -42.1 -179.1 45.7 116.6 26.7 40 -4.5 48 -1.7 0 0.0 0 0.0 9 30
45 A 45 GLN Q H H X TS+ 0 0 -70.1 -37.4 -178.3 46.7 115.7 30.4 41 -1.6 49 -0.6 0 0.0 0 0.0 9 25
46 A 46 LEU L H H < TS+ 0 0 -70.7 -52.8 -178.0 38.8 117.5 17.7 42 -1.6 0 0.0 0 0.0 0 0.0 11 35
47 A 47 ALA A H H < TS+ 0 0 -64.7 -52.3 -179.2 54.9 112.3 17.5 43 -2.7 0 0.0 0 0.0 0 0.0 12 37
48 A 48 GLN Q H H < TS+ 0 0 -54.1 -23.2 179.9 94.3 94.7 41.6 44 -1.7 0 0.0 0 0.0 0 0.0 7 29
49 A 49 MET M h < T - 0 0 -70.3 153.4 -179.9 -156.6 63.7 109.0 45 -0.6 0 0.0 0 0.0 0 0.0 9 28
50 A 50 GLY G + 0 0 -133.8 69.8 179.8 52.0 69.1 122.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
51 A 51 ARG R S S S- 0 0 -156.1 -76.0 -179.9 -25.7 121.9 82.4 0 0.0 0 0.0 0 0.0 0 0.0 4 21
52 A 52 VAL V S S S+ 0 0 -146.0 27.6 179.7 99.9 102.9 87.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
53 A 53 ARG R + 0 0 -124.3 115.6 -179.3 174.7 43.5 164.1 0 0.0 0 0.0 0 0.0 0 0.0 10 28
54 A 54 SER S - 0 0 -120.3 150.2 179.7 -93.3 38.3 154.1 0 0.0 0 0.0 0 0.0 0 0.0 14 37
55 A 55 LYS K - 0 0 -59.4 145.2 -177.9 -93.9 53.6 102.8 0 0.0 0 0.0 0 0.0 0 0.0 12 47
56 A 56 ILE I - 0 0 -64.2 142.4 -179.8 -117.1 41.2 108.6 0 0.0 0 0.0 0 0.0 0 0.0 12 48
57 A 57 THR T h > T - 0 0 -77.4 160.8 179.4 -105.4 26.3 109.8 0 0.0 61 -4.2 0 0.0 0 0.0 11 41
58 A 58 ASP D H H > TS+ 0 0 -54.1 -32.9 179.1 55.4 123.0 33.9 0 0.0 62 -2.6 0 0.0 0 0.0 12 38
59 A 59 GLU E H H > TS+ 0 0 -65.3 -52.9 179.0 35.0 115.2 15.7 0 0.0 63 -1.8 0 0.0 0 0.0 8 29
60 A 60 GLN Q H H > TS+ 0 0 -69.5 -36.7 177.6 57.0 116.3 28.8 0 0.0 64 -2.4 0 0.0 0 0.0 8 36
61 A 61 LEU L H H X TS+ 0 0 -58.0 -46.8 178.9 52.8 104.2 21.0 57 -4.2 65 -2.3 0 0.0 0 0.0 11 45
62 A 62 LYS K H H X TS+ 0 0 -54.1 -52.0 176.5 46.1 110.2 18.2 58 -2.6 66 -1.6 0 0.0 0 0.0 8 37
63 A 63 GLU E H H X TS+ 0 0 -57.9 -34.2 177.3 54.0 111.5 29.6 59 -1.8 67 -1.3 0 0.0 0 0.0 8 25
64 A 64 LEU L H H X TS+ 0 0 -67.3 -32.7 178.5 62.3 99.6 32.7 60 -2.4 68 -4.2 0 0.0 0 0.0 10 34
65 A 65 LEU L H H X TS+ 0 0 -58.1 -46.9 177.2 45.0 104.9 22.5 61 -2.3 69 -3.9 0 0.0 0 0.0 9 38
66 A 66 LYS K H H < TS+ 0 0 -64.7 -31.2 178.5 50.8 115.4 33.2 62 -1.6 0 0.0 0 0.0 0 0.0 8 25
67 A 67 ARG R H H < TS+ 0 0 -68.8 -53.1 -179.3 32.5 119.8 15.2 63 -1.3 0 0.0 0 0.0 0 0.0 7 25
68 A 68 VAL V H H < TS+ 0 0 -72.5 -42.2 -179.5 82.7 105.2 27.8 64 -4.2 0 0.0 0 0.0 0 0.0 10 30
69 A 69 ALA A S h < TS- 0 0 -69.9 122.7 179.8 -132.6 80.8 121.2 65 -3.9 0 0.0 0 0.0 0 0.0 9 26
70 A 70 GLY G - 0 0 -57.1 -164.3 179.9 -65.5 39.0 72.3 0 0.0 0 0.0 0 0.0 0 0.0 6 19
71 A 71 LYS K 0 0 -88.5 159.9 -180.0 999.9 999.9 119.6 0 0.0 0 0.0 0 0.0 0 0.0 3 12
72 A 72 LYS K 0 0 -144.5 999.9 999.9 999.9 999.9 60.5 0 0.0 0 0.0 0 0.0 0 0.0 2 9
1eijA.pdb
1EIJ STRUCTURAL GENOMICS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSS SSHHHHTTS HHHHHHHHHHTTT HHHHHHHHHHHHHHHH SS HHHHHHHHHHHS Kabs/Sand
chirality +++---+++++++-+--+++++++++++++-++++++++++++++++-+-++----+++++++++++-- chirality
bends SSS SSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSSSS SS SSSSSSSSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>4><<4< >>>>XXXX<>>XXXXXXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary SSS ShHHHHhTt hHHHHHHHHHHhTThHHHHHHHHHHHHHHHHh SS hHHHHHHHHHHHh summary
sequence MRQQLEMQKKQIMMQILTPEARSRLANLRLTRPDFVEQIELQLIQLAQMGRVRSKITDEQLKELLKRVAGKK sequence
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