Secondary structure calculation program - copyright by David Keith Smith, 1989
1l8yA.pdb
1L8Y DNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 84
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 GLY G 0 0 999.9 -98.0 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 22
2 A 2 LYS K + 0 0 172.5 -74.5 -178.8 25.8 999.9 104.6 0 0.0 0 0.0 0 0.0 0 0.0 8 20
3 A 3 LEU L - 0 0 -125.7 113.0 -179.8 -144.8 63.3 160.4 0 0.0 5 -0.9 0 0.0 0 0.0 7 18
4 A 4 PRO P + 0 0 -78.2 104.6 178.6 178.0 17.6 128.8 0 0.0 0 0.0 0 0.0 0 0.0 10 23
5 A 5 GLU E - 0 0 -72.8 -30.3 179.2 -150.0 28.6 35.3 3 -0.9 0 0.0 0 0.0 0 0.0 6 25
6 A 6 SER S - 0 0 57.3 86.8 179.7 -145.2 9.2 11.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
7 A 7 PRO P - 0 0 -56.1 -149.4 -179.7 -126.0 9.8 60.4 0 0.0 0 0.0 0 0.0 0 0.0 11 30
8 A 8 LYS K t > T - 0 0 -158.0 28.8 178.9 -134.8 24.3 86.1 0 0.0 10 -1.2 0 0.0 11 -0.6 11 30
9 A 9 ARG R T h > 3 TS+ 0 0 50.3 -88.7 -177.6 18.4 90.7 103.9 0 0.0 13 -1.2 0 0.0 56 -0.9 15 33
10 A 10 ALA A H H > 3 TS+ 0 0 -74.0 -77.0 -178.3 36.4 132.3 8.0 8 -1.2 14 -2.0 0 0.0 0 0.0 16 38
11 A 11 GLU E H H > < TS+ 0 0 -50.8 -24.0 -178.6 51.5 122.3 43.8 8 -0.6 15 -0.7 0 0.0 0 0.0 11 42
12 A 12 GLU E H H > TS+ 0 0 -80.3 -66.1 -178.9 39.0 110.4 11.9 0 0.0 16 -1.4 0 0.0 0 0.0 11 36
13 A 13 ILE I H H X TS+ 0 0 -48.6 -52.1 -177.0 36.2 128.1 22.5 9 -1.2 17 -0.7 0 0.0 0 0.0 15 36
14 A 14 TRP W H H X TS+ 0 0 -69.9 -60.7 -179.2 50.4 114.4 12.6 10 -2.0 18 -3.3 0 0.0 0 0.0 11 42
15 A 15 GLN Q H H X > TS+ 0 0 -43.0 -67.1 178.9 41.3 117.1 19.2 11 -0.7 19 -2.4 0 0.0 18 -0.6 12 42
16 A 16 GLN Q H H < 3 TS+ 0 0 -51.5 -28.2 -179.7 53.8 116.8 38.6 12 -1.4 0 0.0 0 0.0 0 0.0 9 36
17 A 17 SER S H H < 3 TS+ 0 0 -76.0 -40.7 -178.9 14.4 127.9 28.4 13 -0.7 0 0.0 0 0.0 0 0.0 8 36
18 A 18 VAL V H H X X TS+ 0 0 -100.4 -52.0 -178.5 73.8 109.8 30.5 14 -3.3 21 -2.7 15 -0.6 22 -1.9 9 37
19 A 19 ILE I H H X 3 TS+ 0 0 -34.5 -34.7 179.8 65.9 91.3 40.7 15 -2.4 23 -3.7 0 0.0 0 0.0 14 31
20 A 20 GLY G H H > 3 TS+ 0 0 -58.5 -42.9 179.6 33.0 110.3 25.1 0 0.0 24 -0.6 0 0.0 0 0.0 9 27
21 A 21 ASP D H H > < TS+ 0 0 -83.3 -28.4 179.5 52.5 120.2 39.4 18 -2.7 25 -1.9 0 0.0 0 0.0 7 24
22 A 22 TYR Y H H X TS+ 0 0 -74.0 -38.5 179.0 45.1 111.6 28.6 18 -1.9 26 -0.6 0 0.0 0 0.0 14 27
23 A 23 LEU L H H < >TS+ 0 0 -74.3 -23.8 -179.0 56.1 112.2 42.2 19 -3.7 28 -2.9 0 0.0 29 -0.9 13 24
24 A 24 ALA A H H < >5TS+ 0 0 -73.7 -47.6 -178.3 67.7 91.2 25.0 20 -0.6 27 -1.3 0 0.0 0 0.0 10 22
25 A 25 ARG R H H < 35TS+ 0 0 -44.0 -40.1 -179.0 17.4 122.5 35.2 21 -1.9 0 0.0 0 0.0 0 0.0 8 19
26 A 26 PHE F T h < 35TS- 0 0 -119.8 12.9 -179.8 -115.9 106.2 77.5 22 -0.6 0 0.0 0 0.0 0 0.0 7 18
27 A 27 LYS K T T <5TS+ 0 0 48.4 62.9 -178.9 17.5 109.5 15.7 24 -1.3 0 0.0 0 0.0 0 0.0 6 16
28 A 28 ASN N S t > > T + 0 0 -68.7 -8.6 -179.1 124.1 29.9 55.7 23 -0.9 33 -3.7 0 0.0 32 -2.4 12 22
30 A 30 ARG R H H > 3>T + 0 0 -18.8 -55.3 179.9 58.0 66.8 45.3 0 0.0 34 -2.9 0 0.0 35 -0.5 10 25
31 A 31 VAL V H H 4 <5TS+ 0 0 -48.0 -53.0 179.3 17.9 127.1 21.5 28 -0.6 0 0.0 0 0.0 0 0.0 7 22
32 A 32 LYS K H H > <5TS+ 0 0 -92.3 -21.2 179.9 61.1 125.8 47.9 29 -2.4 36 -2.6 0 0.0 0 0.0 8 24
33 A 33 ALA A H H X 5TS+ 0 0 -69.0 -57.9 179.8 45.2 103.9 12.3 29 -3.7 37 -1.5 0 0.0 0 0.0 12 28
34 A 34 LEU L H H X 5TS+ 0 0 -56.9 -27.5 -179.8 50.3 116.8 38.6 30 -2.9 38 -1.5 0 0.0 0 0.0 13 32
35 A 35 LYS K H H > TS+ 0 0 -64.7 -59.0 -179.9 39.5 116.8 11.5 34 -1.5 42 -1.5 0 0.0 41 -0.6 8 36
39 A 39 MET M H H X > TS+ 0 0 -55.2 -58.0 179.9 50.1 116.2 15.0 35 -2.7 43 -3.0 0 0.0 42 -0.9 8 26
40 A 40 THR T H H < 3 TS+ 0 0 -54.5 -20.7 -179.5 59.5 107.4 44.8 36 -1.1 0 0.0 0 0.0 0 0.0 9 28
41 A 41 TRP W H H < < TS+ 0 0 -76.2 -41.5 -179.7 33.5 113.1 27.6 37 -0.7 49 -1.0 38 -0.6 0 0.0 10 34
42 A 42 ASN N H H < X TS+ 0 0 -84.5 -25.8 178.8 69.2 108.0 42.1 38 -1.5 45 -1.3 39 -0.9 0 0.0 10 23
43 A 43 ASN N T h < 3 TS+ 0 0 -67.2 -10.2 180.0 49.0 101.5 53.4 39 -3.0 0 0.0 0 0.0 0 0.0 6 17
44 A 44 MET M T g > TS- 0 0 -107.2 -4.7 179.7 -156.3 97.8 63.2 0 0.0 47 -1.1 0 0.0 0 0.0 9 21
45 A 45 GLU E G G > X T - 0 0 60.5 -158.4 -179.3 -16.1 62.4 98.8 42 -1.3 48 -0.8 0 0.0 49 -0.8 9 18
46 A 46 LYS K G G 4 3>TS+ 0 0 -47.3 -27.3 -178.7 75.9 127.0 43.7 0 0.0 51 -1.1 0 0.0 0 0.0 8 21
47 A 47 LYS K G h > <5TS+ 0 0 -51.8 -61.6 -179.7 15.5 112.4 15.6 44 -1.1 51 -0.7 0 0.0 0 0.0 7 22
48 A 48 GLU E H H > <5TS+ 0 0 -75.7 -76.0 -179.6 48.9 127.6 11.2 45 -0.8 52 -3.1 0 0.0 0 0.0 10 31
49 A 49 LYS K H H X 5TS+ 0 0 -28.5 -70.8 -178.7 37.6 118.8 34.4 41 -1.0 53 -1.3 45 -0.8 0 0.0 13 32
50 A 50 LEU L H H > >5TS+ 0 0 -53.7 -60.4 -178.3 46.5 118.7 17.9 0 0.0 53 -1.2 0 0.0 54 -1.0 10 27
51 A 51 MET M H H X 3 TS+ 0 0 -79.6 -31.8 179.4 70.9 98.8 37.0 55 -0.8 62 -2.2 0 0.0 63 -0.7 12 30
60 A 60 GLN Q H H X 3 TS+ 0 0 -56.5 -24.1 178.4 69.9 85.7 40.1 56 -2.2 64 -2.3 0 0.0 0 0.0 12 32
61 A 61 LYS K H H X 3 TS+ 0 0 -62.0 -32.6 -179.8 57.5 92.5 33.7 57 -0.6 65 -1.2 0 0.0 0 0.0 8 28
62 A 62 ARG R H H 4 < TS+ 0 0 -67.4 -34.0 179.9 46.0 107.9 33.5 59 -2.2 0 0.0 0 0.0 0 0.0 8 26
63 A 63 TYR Y H H X > TS+ 0 0 -75.9 -41.3 179.8 64.7 101.6 27.5 59 -0.7 66 -2.9 0 0.0 67 -0.8 14 28
64 A 64 GLU E H H X 3 TS+ 0 0 -48.7 -41.5 179.6 59.4 95.5 29.3 60 -2.3 68 -2.4 0 0.0 0 0.0 11 25
65 A 65 ARG R H H X 3 TS+ 0 0 -62.9 -17.0 179.4 64.8 98.8 46.3 61 -1.2 69 -0.7 0 0.0 0 0.0 11 25
66 A 66 GLU E H H 4 X TS+ 0 0 -69.0 -76.4 178.4 27.5 110.9 7.5 63 -2.9 69 -2.2 0 0.0 0 0.0 12 22
67 A 67 LEU L H H X > TS+ 0 0 -49.6 -44.1 178.6 79.4 108.4 23.8 63 -0.8 70 -3.6 0 0.0 71 -1.0 12 22
68 A 68 SER S H H < 3 TS+ 0 0 -30.4 -42.1 -179.4 74.3 75.5 40.8 64 -2.4 0 0.0 0 0.0 0 0.0 10 22
69 A 69 GLU E T h < < TS+ 0 0 -45.1 -42.3 -179.9 36.5 104.3 31.1 66 -2.2 0 0.0 65 -0.7 0 0.0 9 25
70 A 70 MET M T T 4 < TS+ 0 0 -85.1 -21.7 179.9 62.9 110.9 45.9 67 -3.6 0 0.0 0 0.0 0 0.0 6 20
71 A 71 ARG R S t < TS+ 0 0 -95.7 38.5 -180.0 89.1 82.5 98.7 67 -1.0 0 0.0 0 0.0 0 0.0 6 20
72 A 72 ALA A g > T + 0 0 -133.0 61.2 178.7 153.3 36.7 116.1 0 0.0 75 -2.1 0 0.0 0 0.0 8 19
73 A 73 PRO P G G > TS+ 0 0 -54.2 -45.8 178.9 40.2 86.5 23.0 0 0.0 76 -0.7 0 0.0 0 0.0 7 17
74 A 74 PRO P G G 3 TS+ 0 0 -92.4 27.7 -179.5 63.8 110.5 89.6 0 0.0 0 0.0 0 0.0 0 0.0 7 14
75 A 75 ALA A G G < TS+ 0 0 -137.0 24.3 -180.0 48.5 98.3 87.7 72 -2.1 0 0.0 0 0.0 0 0.0 8 19
76 A 76 ALA A S g < TS+ 0 0 -154.2 30.4 -180.0 10.5 126.9 88.2 73 -0.7 0 0.0 0 0.0 0 0.0 9 20
77 A 77 THR T S S S+ 0 0 -174.8 -41.1 179.8 39.2 131.1 81.0 0 0.0 0 0.0 0 0.0 0 0.0 9 15
78 A 78 ASN N S S S+ 0 0 -92.9 -42.7 179.9 33.8 126.0 32.4 0 0.0 0 0.0 0 0.0 0 0.0 7 14
79 A 79 SER S S S S+ 0 0 -82.9 -29.8 179.9 43.5 125.6 38.5 0 0.0 0 0.0 0 0.0 0 0.0 7 15
80 A 80 SER S S S S- 0 0 -85.5 -25.7 180.0 -162.5 90.3 42.5 0 0.0 0 0.0 0 0.0 0 0.0 7 14
81 A 81 LYS K - 0 0 38.2 92.6 179.9 -130.4 19.9 25.9 0 0.0 83 -3.0 0 0.0 0 0.0 7 12
82 A 82 LYS K S S S+ 0 0 -69.1 70.9 -179.9 98.1 73.8 111.7 0 0.0 0 0.0 0 0.0 0 0.0 5 11
83 A 83 LEU L 0 0 -160.5 138.8 179.9 999.9 999.9 162.7 81 -3.0 0 0.0 0 0.0 0 0.0 3 8
84 A 84 GLU E 0 0 -114.7 999.9 999.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 7
1l8yA.pdb
1L8Y DNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand THHHHHHHHHHHHHHHHTTSTHHHHHHHHHHHHHTTGGGHHHHHHHHHHHHHHHHHHHHHTTS GGGSSSSS S Kabs/Sand
chirality +-+----+++++++++++++++++-+++++++++++++++++--++++++++++++++++++++++++++++++++++--+ chirality
bends SSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33X33< >33<>>3<< >>3X3<< >33< >33<>33X>3<< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXX<>X<<<< >>4>XX>XXXX<<<< >4>>X>XXXXXXX