Secondary structure calculation program - copyright by David Keith Smith, 1989
1aa3-.pdb
1AA3 DOUBLE-STRANDED DNA BINDING DOMAIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 63
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
1 268 ILE I 0 0 999.9 -90.8 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 15
2 269 ASN N - 0 0 43.9 -100.1 179.6 -131.8 999.9 99.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
3 270 PHE F - 0 0 161.0 -97.3 179.9 -176.4 32.7 129.3 0 0.0 0 0.0 0 0.0 0 0.0 6 34
4 271 TYR Y S S S+ 0 0 82.2 -2.2 179.0 61.1 86.6 65.7 0 0.0 0 0.0 0 0.0 0 0.0 11 46
5 272 GLY G S S S+ 0 0 -120.1 -40.5 177.5 24.4 116.5 49.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
6 273 GLU E S h > TS+ 0 0 -95.9 -24.2 177.9 61.0 121.5 45.9 0 0.0 10 -1.1 0 0.0 0 0.0 7 33
7 274 LEU L H H > > TS+ 0 0 -65.0 -56.8 178.1 38.8 109.7 9.0 0 0.0 11 -3.4 0 0.0 10 -1.1 11 46
8 275 VAL V H H > 3 TS+ 0 0 -61.3 -30.6 179.2 53.3 117.6 28.3 0 0.0 12 -1.5 0 0.0 0 0.0 14 52
9 276 ASP D H H 4 3 TS+ 0 0 -75.7 -18.2 180.0 45.0 112.0 44.4 0 0.0 0 0.0 0 0.0 0 0.0 9 42
10 277 LEU L H H X < TS+ 0 0 -91.8 -41.6 -179.8 39.7 118.6 30.8 7 -1.1 14 -1.8 6 -1.1 0 0.0 11 37
11 278 GLY G H H < TS+ 0 0 -72.5 -60.7 179.0 50.0 113.8 9.2 7 -3.4 0 0.0 0 0.0 0 0.0 13 44
12 279 VAL V T h < TS+ 0 0 -46.7 -28.8 178.0 38.9 122.6 29.9 8 -1.5 0 0.0 0 0.0 0 0.0 11 39
13 280 LYS K T T 4 TS+ 0 0 -90.1 -30.0 178.3 23.4 135.3 38.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
14 281 GLU E S t < TS- 0 0 -97.0 -76.7 177.8 -88.5 120.4 33.7 10 -1.8 0 0.0 0 0.0 0 0.0 7 30
15 282 LYS K S S S+ 0 0 167.5 39.2 177.4 105.1 90.8 71.7 0 0.0 0 0.0 0 0.0 0 0.0 8 36
16 283 LEU L S S S+ 0 0 -98.1 -40.4 179.5 50.6 81.6 34.1 0 0.0 18 -0.7 0 0.0 27 -0.5 13 46
17 284 ILE I B B A S- 26 0 -100.0 117.2 176.7 -156.8 72.8 147.1 0 0.0 19 -0.5 0 0.0 0 0.0 13 51
18 285 GLU E + 0 0 -89.4 126.8 -178.0 166.4 26.7 139.4 25 -1.8 0 0.0 16 -0.7 0 0.0 10 36
19 286 LYS K - 0 0 -143.3 151.0 -179.7 -139.9 44.5 172.8 17 -0.5 0 0.0 0 0.0 0 0.0 10 34
20 287 ALA A S S S- 0 0 -96.5 29.0 -179.8 -71.9 78.3 88.9 23 -1.6 0 0.0 0 0.0 0 0.0 6 24
21 288 GLY G S S S+ 0 0 116.1 -62.2 179.9 13.9 125.3 117.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
22 289 ALA A S e S+ 0 0 -113.1 -49.9 179.9 70.9 113.0 41.1 0 0.0 34 -2.0 0 0.0 0 0.0 8 24
23 290 TRP W E E AA S- 33 0 -71.6 126.5 -179.9 -155.1 73.0 122.8 0 0.0 20 -1.6 0 0.0 0 0.0 10 29
24 291 TYR Y E E AA - 32 0 -97.7 170.5 -179.5 -167.2 9.6 121.0 32 -2.0 32 -0.7 0 0.0 0 0.0 16 40
25 292 SER S - 0 0 -151.1 159.7 178.6 -142.7 7.0 171.5 0 0.0 18 -1.8 0 0.0 0 0.0 12 41
26 293 TYR Y B B A - 17 0 -128.6 164.3 180.0 -89.0 39.6 149.8 0 0.0 28 -4.5 0 0.0 0 0.0 10 47
27 294 LYS K S S S+ 0 0 -61.3 52.4 179.8 6.4 124.2 97.4 16 -0.5 0 0.0 0 0.0 0 0.0 8 34
28 295 GLY G S S S+ 0 0 161.8 -40.1 -178.7 23.9 133.9 88.1 26 -4.5 0 0.0 0 0.0 0 0.0 4 26
29 296 GLU E S S S- 0 0 -151.5 136.8 176.8 -96.1 85.1 166.0 0 0.0 0 0.0 0 0.0 0 0.0 6 30
30 297 LYS K - 0 0 -46.5 141.2 -179.9 -152.9 30.4 99.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
31 298 ILE I - 0 0 -89.4 -35.1 -179.5 -103.2 43.1 33.1 0 0.0 41 -1.2 0 0.0 0 0.0 14 43
32 299 GLY G E E AA - 24 0 135.6 177.7 179.2 -25.2 62.0 139.1 24 -0.7 24 -2.0 0 0.0 0 0.0 13 34
33 300 GLN Q E E AA S- 23 0 -46.8 172.4 -178.7 -107.7 70.7 86.8 0 0.0 0 0.0 0 0.0 0 0.0 10 29
34 301 GLY G S e S+ 0 0 -77.5 -31.7 -178.0 8.2 112.5 33.4 22 -2.0 0 0.0 0 0.0 0 0.0 13 36
35 302 LYS K S S S+ 0 0 -121.2 -23.4 179.5 52.5 132.4 54.1 0 0.0 0 0.0 0 0.0 0 0.0 6 32
36 303 ALA A S S S- 0 0 -85.6 -27.0 -179.2 -11.4 140.4 38.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
37 304 ASN N S t > TS+ 0 0 -161.4 32.9 179.7 125.8 88.8 83.4 0 0.0 41 -0.9 0 0.0 0 0.0 11 34
38 305 ALA A T T 4 TS+ 0 0 -62.4 -64.7 -179.8 16.2 97.3 1.6 0 0.0 0 0.0 0 0.0 0 0.0 17 44
39 306 THR T T h > TS+ 0 0 -91.0 12.5 178.5 92.0 104.9 70.9 0 0.0 43 -0.7 0 0.0 0 0.0 12 48
40 307 ALA A H H > TS+ 0 0 -69.9 -42.0 175.6 40.3 95.4 15.5 0 0.0 44 -1.5 0 0.0 0 0.0 10 35
41 308 TRP W H H < TS+ 0 0 -71.3 -20.5 177.6 49.9 117.6 38.8 31 -1.2 0 0.0 37 -0.9 0 0.0 11 38
42 309 LEU L H H 4 TS+ 0 0 -89.5 -11.0 178.9 68.0 99.7 53.7 0 0.0 0 0.0 0 0.0 0 0.0 12 48
43 310 LYS K H H < TS+ 0 0 -73.1 -43.7 179.7 30.2 111.1 23.1 39 -0.7 0 0.0 0 0.0 0 0.0 9 36
44 311 ASP D S h < TS+ 0 0 -101.4 22.3 -179.9 99.2 98.1 83.9 40 -1.5 0 0.0 0 0.0 0 0.0 6 24
45 312 ASN N t > T + 0 0 -106.3 61.0 179.0 145.3 29.8 115.2 0 0.0 49 -3.9 0 0.0 0 0.0 8 32
46 313 PRO P T T 4 TS+ 0 0 -68.3 -16.3 179.2 65.5 70.7 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 24
47 314 GLU E T T 4 TS+ 0 0 -70.7 -47.4 -179.6 8.7 125.3 19.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
48 315 THR T T h > > TS+ 0 0 -105.4 -25.0 179.5 99.0 102.8 48.0 0 0.0 52 -1.7 0 0.0 51 -1.3 8 35
49 316 ALA A H H X 3 TS+ 0 0 -36.6 -22.9 178.8 46.0 90.6 44.4 45 -3.9 53 -0.9 0 0.0 0 0.0 10 40
50 317 LYS K H H > 3 TS+ 0 0 -91.3 -37.3 179.0 60.6 103.2 32.5 0 0.0 54 -2.4 0 0.0 0 0.0 8 33
51 318 GLU E H H > < TS+ 0 0 -59.0 -23.8 178.8 60.6 100.3 36.9 48 -1.3 55 -4.3 0 0.0 0 0.0 8 37
52 319 ILE I H H X TS+ 0 0 -66.3 -71.0 178.3 38.9 107.7 7.7 48 -1.7 56 -2.4 0 0.0 0 0.0 11 49
53 320 GLU E H H X TS+ 0 0 -44.7 -35.3 -178.7 46.5 123.7 31.7 49 -0.9 57 -3.5 0 0.0 0 0.0 10 38
54 321 LYS K H H X >TS+ 0 0 -77.3 -48.4 179.1 56.5 104.0 19.2 50 -2.4 58 -4.5 0 0.0 59 -0.7 9 33
55 322 LYS K H H < 5TS+ 0 0 -50.8 -32.4 179.4 33.0 122.4 27.4 51 -4.3 0 0.0 0 0.0 0 0.0 10 36
56 323 VAL V H H X 5TS+ 0 0 -90.5 -43.3 -179.9 48.4 120.5 29.6 52 -2.4 60 -0.7 0 0.0 0 0.0 13 34
57 324 ARG R H H X >5TS+ 0 0 -64.5 -40.9 179.8 37.3 121.3 22.1 53 -3.5 60 -0.6 0 0.0 61 -0.5 8 28
58 325 GLU E H H < 35TS+ 0 0 -84.8 -11.8 179.5 89.7 93.5 50.5 54 -4.5 0 0.0 0 0.0 0 0.0 8 21
59 326 LEU L H H 4 35555< 5-turns
3-turns >33< >33< >33X33< 3-turns
bridge-2 bridge-2
bridge-1 A AA A AA bridge-1
sheets AA AA sheets
4-turns >>>4X<<4< >4>><4<<>44>X>>XXX