Secondary structure calculation program - copyright by David Keith Smith, 1989
1lre-.pdb
1LRE CELL SURFACE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 81
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 17 GLY G 0 0 999.9 -57.5 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 13
2 18 GLU E - 0 0 -127.9 171.9 -180.0 -78.5 999.9 142.9 4 -0.9 0 0.0 0 0.0 0 0.0 5 19
3 19 GLU E S S S+ 0 0 -38.5 -33.0 -179.7 33.0 122.4 35.0 0 0.0 0 0.0 0 0.0 0 0.0 5 28
4 20 PHE F S S S- 0 0 -121.3 171.5 -178.8 -127.8 80.8 136.9 0 0.0 2 -0.9 0 0.0 0 0.0 11 30
5 21 ARG R S S S+ 0 0 -87.1 -51.8 -178.8 54.0 87.6 21.9 0 0.0 0 0.0 0 0.0 0 0.0 9 26
6 22 MET M S h > TS- 0 0 -79.2 167.8 -179.8 -118.7 86.0 108.4 0 0.0 10 -1.4 0 0.0 0 0.0 6 28
7 23 GLU E H H > TS+ 0 0 -83.2 -7.9 179.2 66.1 108.6 53.4 0 0.0 11 -1.9 0 0.0 0 0.0 7 23
8 24 LYS K H H > TS+ 0 0 -79.4 -42.0 178.3 36.3 108.1 22.3 0 0.0 12 -1.9 0 0.0 0 0.0 6 37
9 25 LEU L H H > TS+ 0 0 -75.1 -38.4 178.9 50.6 119.7 25.3 0 0.0 13 -2.6 0 0.0 0 0.0 12 43
10 26 ASN N H H X TS+ 0 0 -62.3 -51.3 180.0 44.0 113.7 14.1 6 -1.4 14 -2.3 0 0.0 0 0.0 12 35
11 27 GLN Q H H X TS+ 0 0 -62.4 -38.5 -179.5 50.5 114.7 27.4 7 -1.9 15 -2.0 0 0.0 0 0.0 8 33
12 28 LEU L H H X TS+ 0 0 -66.4 -50.5 -179.8 42.7 113.9 14.6 8 -1.9 16 -2.4 0 0.0 0 0.0 9 48
13 29 TRP W H H X TS+ 0 0 -60.6 -58.2 179.4 45.4 116.8 9.4 9 -2.6 17 -2.2 0 0.0 0 0.0 12 48
14 30 GLU E H H X TS+ 0 0 -53.1 -40.8 178.6 58.2 109.6 22.1 10 -2.3 18 -2.2 0 0.0 0 0.0 8 38
15 31 LYS K H H X > TS+ 0 0 -53.1 -53.2 178.2 51.5 103.5 12.9 11 -2.0 19 -1.9 0 0.0 18 -0.6 9 36
16 32 ALA A H H < 3>TS+ 0 0 -49.6 -46.9 179.2 54.9 106.0 21.4 12 -2.4 21 -1.1 0 0.0 0 0.0 12 41
17 33 GLN Q H H < >5TS+ 0 0 -55.8 -38.7 179.6 51.9 106.3 24.5 13 -2.2 20 -1.4 0 0.0 0 0.0 9 32
18 34 ARG R H H < <5TS+ 0 0 -68.0 -30.2 179.5 63.7 99.0 32.0 14 -2.2 0 0.0 15 -0.6 0 0.0 7 22
19 35 LEU L T h < 35TS- 0 0 -70.9 -2.7 179.5 -128.4 108.1 55.3 15 -1.9 0 0.0 0 0.0 0 0.0 7 27
20 36 HIS H T T <5T + 0 0 65.2 17.4 179.0 177.1 42.5 45.4 17 -1.4 0 0.0 0 0.0 0 0.0 6 21
21 37 LEU L t T - 0 0 -74.4 176.8 -179.4 -99.8 35.8 98.8 0 0.0 26 -2.1 0 0.0 0 0.0 6 20
23 39 PRO P H H > TS+ 0 0 -66.1 -58.2 179.2 50.9 122.3 9.9 0 0.0 27 -2.0 0 0.0 0 0.0 6 20
24 40 VAL V H H > TS+ 0 0 -46.2 -39.0 -179.3 52.7 111.7 27.4 0 0.0 28 -2.4 0 0.0 0 0.0 6 19
25 41 ARG R H H > TS+ 0 0 -65.4 -48.7 179.9 45.1 109.1 18.3 0 0.0 29 -2.4 0 0.0 0 0.0 8 29
26 42 LEU L H H X TS+ 0 0 -69.9 -15.0 179.2 57.4 111.9 44.3 22 -2.1 30 -1.9 0 0.0 0 0.0 12 35
27 43 ALA A H H X TS+ 0 0 -80.1 -50.0 178.6 39.5 109.8 18.5 23 -2.0 31 -2.2 0 0.0 0 0.0 8 26
28 44 GLU E H H X TS+ 0 0 -64.2 -42.0 178.8 50.2 118.8 19.6 24 -2.4 32 -2.2 0 0.0 0 0.0 8 31
29 45 LEU L H H X TS+ 0 0 -60.0 -53.3 179.6 50.4 108.7 13.0 25 -2.4 33 -2.1 0 0.0 0 0.0 11 43
30 46 HIS H H H X TS+ 0 0 -53.4 -39.2 179.5 54.2 108.5 25.1 26 -1.9 34 -2.3 0 0.0 0 0.0 9 44
31 47 ALA A H H X TS+ 0 0 -61.8 -42.7 180.0 47.4 109.0 20.7 27 -2.2 35 -2.3 0 0.0 0 0.0 8 33
32 48 ASP D H H X TS+ 0 0 -69.6 -27.1 179.6 51.8 111.2 35.7 28 -2.2 36 -2.0 0 0.0 0 0.0 10 42
33 49 LEU L H H X TS+ 0 0 -77.6 -34.6 179.3 48.8 109.6 28.9 29 -2.1 37 -1.5 0 0.0 0 0.0 12 48
34 50 LYS K H H X TS+ 0 0 -69.4 -45.9 178.5 44.4 114.6 17.4 30 -2.3 38 -2.5 0 0.0 0 0.0 9 36
35 51 ILE I H H X TS+ 0 0 -63.4 -42.9 179.0 48.2 115.4 19.2 31 -2.3 39 -2.1 0 0.0 0 0.0 8 37
36 52 GLN Q H H X TS+ 0 0 -67.7 -24.0 179.1 55.9 110.2 36.2 32 -2.0 40 -1.5 0 0.0 0 0.0 12 41
37 53 GLU E H H X > TS+ 0 0 -71.4 -60.4 178.8 41.8 108.8 7.6 33 -1.5 41 -2.3 0 0.0 40 -0.7 11 40
38 54 ARG R H H X 3 TS+ 0 0 -53.4 -36.1 179.7 50.5 118.1 26.7 34 -2.5 42 -2.2 0 0.0 0 0.0 8 32
39 55 ASP D H H X 3 TS+ 0 0 -72.0 -30.3 -179.1 51.3 109.0 34.0 35 -2.1 43 -1.7 0 0.0 0 0.0 9 35
40 56 GLU E H H X < TS+ 0 0 -78.2 -31.7 178.9 38.6 116.2 32.2 36 -1.5 44 -1.5 37 -0.7 0 0.0 9 40
41 57 LEU L H H X TS+ 0 0 -82.7 -47.4 178.2 47.9 118.2 21.1 37 -2.3 45 -2.0 0 0.0 0 0.0 8 32
42 58 ALA A H H X TS+ 0 0 -56.1 -48.2 178.4 41.9 118.5 15.2 38 -2.2 46 -1.8 0 0.0 0 0.0 8 28
43 59 TRP W H H X TS+ 0 0 -66.0 -40.8 179.3 63.4 105.2 20.3 39 -1.7 47 -2.0 0 0.0 0 0.0 11 33
44 60 LYS K H H X TS+ 0 0 -51.8 -30.0 176.8 51.0 103.3 26.5 40 -1.5 48 -2.0 0 0.0 0 0.0 8 30
45 61 LYS K H H X TS+ 0 0 -70.9 -42.2 177.8 49.3 111.0 19.6 41 -2.0 49 -2.1 0 0.0 0 0.0 8 22
46 62 LEU L H H X >TS+ 0 0 -56.7 -73.1 -179.8 40.1 114.7 7.0 42 -1.8 50 -1.5 0 0.0 51 -1.3 10 24
47 63 LYS K H H < >5TS+ 0 0 -44.2 -49.4 -179.4 54.0 114.9 25.4 43 -2.0 50 -0.8 0 0.0 0 0.0 11 24
48 64 LEU L H H < 35TS+ 0 0 -57.0 -37.4 -179.9 38.6 116.2 26.6 44 -2.0 0 0.0 0 0.0 0 0.0 7 18
49 65 ASP D H H < 35TS- 0 0 -90.1 -6.3 -180.0 -104.0 124.1 56.7 45 -2.1 0 0.0 0 0.0 0 0.0 6 17
50 66 GLY G T h < <5TS+ 0 0 86.1 48.6 -179.8 132.6 78.3 23.2 46 -1.5 0 0.0 47 -0.8 0 0.0 7 18
51 67 LEU L t T + 0 0 -82.7 40.0 179.9 135.9 62.9 93.5 0 0.0 55 -1.0 0 0.0 0 0.0 11 23
53 69 GLU E T T 3 TS+ 0 0 -61.7 -11.6 180.0 49.0 76.0 46.5 51 -0.8 0 0.0 0 0.0 0 0.0 6 17
54 70 ASP D T T 3 TS- 0 0 -100.4 -19.6 179.9 -122.4 110.1 48.2 0 0.0 0 0.0 0 0.0 0 0.0 6 17
55 71 GLY G S t < TS+ 0 0 86.8 16.7 179.9 110.8 82.5 47.2 52 -1.0 0 0.0 0 0.0 0 0.0 7 21
56 72 GLU E S h > TS+ 0 0 -89.2 -52.1 179.6 41.3 76.2 23.2 0 0.0 60 -2.0 0 0.0 0 0.0 7 21
57 73 LYS K H H > > TS+ 0 0 -59.8 -57.8 179.4 41.8 121.3 8.6 0 0.0 61 -1.2 0 0.0 60 -0.5 10 30
58 74 GLU E H H > 3 TS+ 0 0 -59.2 -28.4 -180.0 62.7 109.8 33.4 0 0.0 62 -1.4 0 0.0 0 0.0 10 31
59 75 ALA A H H > 3 TS+ 0 0 -64.6 -42.6 179.7 57.0 95.5 21.4 0 0.0 63 -2.4 0 0.0 0 0.0 8 26
60 76 ARG R H H X < TS+ 0 0 -57.0 -35.8 179.4 54.6 104.1 26.4 56 -2.0 64 -2.2 57 -0.5 0 0.0 8 31
61 77 LEU L H H X TS+ 0 0 -65.3 -37.9 179.7 50.7 107.0 25.1 57 -1.2 65 -2.4 0 0.0 0 0.0 11 38
62 78 ILE I H H X TS+ 0 0 -65.8 -47.1 179.8 47.1 110.8 18.1 58 -1.4 66 -2.2 0 0.0 0 0.0 8 34
63 79 ARG R H H X TS+ 0 0 -63.2 -37.4 179.6 50.8 112.7 25.5 59 -2.4 67 -1.9 0 0.0 0 0.0 8 27
64 80 ASN N H H X TS+ 0 0 -66.1 -46.9 179.7 48.6 109.8 17.2 60 -2.2 68 -2.5 0 0.0 0 0.0 10 38
65 81 LEU L H H X TS+ 0 0 -60.8 -37.0 178.9 48.5 113.2 25.5 61 -2.4 69 -2.5 0 0.0 0 0.0 9 44
66 82 ASN N H H X TS+ 0 0 -71.9 -30.0 179.3 55.6 108.1 32.4 62 -2.2 70 -1.1 0 0.0 0 0.0 9 32
67 83 VAL V H H X TS+ 0 0 -67.3 -48.0 178.5 39.7 113.1 15.8 63 -1.9 71 -1.7 0 0.0 0 0.0 8 34
68 84 ILE I H H X > TS+ 0 0 -64.7 -53.0 178.7 47.7 117.8 11.4 64 -2.5 72 -1.9 0 0.0 71 -0.7 13 44
69 85 LEU L H H X 3 TS+ 0 0 -59.5 -21.2 179.0 53.1 112.3 38.9 65 -2.5 73 -0.8 0 0.0 0 0.0 11 40
70 86 ALA A H H < 3 TS+ 0 0 -83.9 -28.7 179.5 46.1 109.7 36.7 66 -1.1 0 0.0 0 0.0 0 0.0 11 32
71 87 LYS K H H < < TS+ 0 0 -84.9 -18.9 -178.9 20.0 132.9 46.6 67 -1.7 0 0.0 68 -0.7 0 0.0 6 36
72 88 TYR Y H H < TS- 0 0 -129.3 2.7 -178.9 -133.8 90.8 71.2 68 -1.9 0 0.0 0 0.0 0 0.0 9 39
73 89 GLY G h < T + 0 0 44.3 33.7 -179.0 152.6 53.0 29.4 69 -0.8 0 0.0 0 0.0 0 0.0 10 33
74 90 LEU L S S S- 0 0 -65.2 -27.5 179.8 -7.5 81.7 34.9 0 0.0 0 0.0 0 0.0 0 0.0 11 37
75 91 ASP D S S S+ 0 0 -162.1 46.3 179.9 94.6 113.0 92.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
76 92 GLY G - 0 0 -141.3 150.8 -179.9 -120.4 68.0 171.2 0 0.0 78 -0.9 0 0.0 0 0.0 8 22
77 93 LYS K + 0 0 -95.5 107.6 179.5 135.8 53.0 141.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
78 94 LYS K + 0 0 -125.1 -9.4 179.9 109.3 36.6 62.7 76 -0.9 0 0.0 0 0.0 0 0.0 6 15
79 95 ASP D - 0 0 -71.7 128.4 179.9 -172.2 43.8 121.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
80 96 ALA A 0 0 -106.3 17.6 -179.8 999.9 999.9 79.1 0 0.0 0 0.0 0 0.0 0 0.0 3 7
81 97 ARG R 0 0 -158.3 999.9 999.9 999.9 999.9 84.4 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1lre-.pdb
1LRE CELL SURFACE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSSSHHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHHHHHHHHHHHT TTSSHHHHHHHHHHHHHHHH SS Kabs/Sand
chirality -+-+-++++++++++++-+--++++++++++++++++++++++++++-++++-+++++++++++++++++-+-+-++- chirality
bends SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >3><3< >33< >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXX<<<< 4-turns
summary SSShHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHHHHHHHHHHHHHhttTTthHHHHHHHHHHHHHHHHhSS summary
sequence GEEFRMEKLNQLWEKAQRLHLPPVRLAELHADLKIQERDELAWKKLKLDGLDEDGEKEARLIRNLNVILAKYGLDGKKDAR sequence
10 20 30 40 50 60 70 80