==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 18-MAY-99 1QC7 . COMPND 2 MOLECULE: PROTEIN (FLIG); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.A.LLOYD,F.G.WHITBY,D.BLAIR,C.P.HILL . 190 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 5 0 1 0 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 235 A M 0 0 229 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.6 36.1 32.3 20.2 2 236 A F - 0 0 70 75,-0.0 2,-0.3 2,-0.0 75,-0.0 -0.516 360.0-173.7 -75.4 131.3 33.9 31.0 17.3 3 237 A V > - 0 0 82 -2,-0.3 3,-1.7 1,-0.0 4,-0.2 -0.768 40.9 -96.6-119.7 165.7 30.5 29.6 18.3 4 238 A F G > S+ 0 0 13 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 0.807 119.8 60.1 -55.7 -33.4 28.0 27.8 16.1 5 239 A E G > S+ 0 0 73 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.703 87.7 75.6 -69.2 -17.4 25.8 31.0 15.5 6 240 A D G X S+ 0 0 37 -3,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.558 72.5 82.8 -67.2 -12.6 28.9 32.7 13.9 7 241 A I G X S+ 0 0 7 -3,-1.4 3,-1.4 1,-0.3 -1,-0.3 0.763 76.9 71.9 -62.6 -23.5 28.2 30.6 10.8 8 242 A L G < S+ 0 0 34 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.648 91.7 56.6 -67.3 -13.5 25.7 33.3 10.0 9 243 A K G < S+ 0 0 62 -3,-1.9 83,-1.7 86,-0.1 2,-0.3 0.101 88.0 93.1-105.8 18.8 28.6 35.7 9.2 10 244 A L B < S-A 91 0A 11 -3,-1.4 81,-0.2 81,-0.3 2,-0.1 -0.802 81.5-103.6-107.0 153.3 30.2 33.6 6.6 11 245 A D >> - 0 0 47 79,-2.2 4,-1.8 -2,-0.3 3,-1.1 -0.388 31.7-106.6 -76.2 157.3 29.5 33.9 2.8 12 246 A D H 3> S+ 0 0 56 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.886 119.7 56.7 -47.5 -43.1 27.3 31.4 0.9 13 247 A R H 3> S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.834 105.1 51.2 -60.9 -35.0 30.4 30.0 -0.8 14 248 A S H <> S+ 0 0 1 -3,-1.1 4,-2.1 76,-0.2 -1,-0.2 0.953 109.0 49.8 -67.4 -46.8 32.0 29.2 2.6 15 249 A I H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.892 109.8 51.7 -59.5 -39.9 29.0 27.4 3.9 16 250 A Q H X S+ 0 0 59 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.865 109.7 49.0 -64.7 -37.3 28.8 25.3 0.7 17 251 A L H < S+ 0 0 23 -4,-1.6 3,-0.3 -3,-0.2 4,-0.3 0.826 112.5 48.9 -71.6 -31.5 32.5 24.3 1.1 18 252 A V H >< S+ 0 0 12 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.860 102.2 61.6 -75.5 -35.8 31.8 23.3 4.7 19 253 A L H 3< S+ 0 0 33 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.690 95.1 64.3 -63.6 -20.8 28.7 21.2 3.8 20 254 A R T 3< S+ 0 0 179 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.647 100.4 49.8 -76.4 -19.7 30.9 18.9 1.7 21 255 A E S < S+ 0 0 65 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.449 98.7 76.9 -99.9 -1.7 33.0 17.7 4.7 22 256 A V S S- 0 0 20 -3,-0.5 2,-0.2 -4,-0.4 140,-0.0 -0.750 71.7-134.4-106.2 154.0 30.0 16.8 7.0 23 257 A D > - 0 0 22 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.527 32.3 -98.2 -98.8 175.8 27.8 13.7 6.8 24 258 A T H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.875 118.2 51.7 -60.9 -43.2 24.0 13.7 7.1 25 259 A R H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 111.4 46.3 -62.9 -46.4 23.8 12.7 10.8 26 260 A D H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 111.6 50.4 -66.0 -39.7 26.2 15.4 12.0 27 261 A L H X S+ 0 0 13 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.888 114.1 45.9 -66.5 -37.0 24.5 18.2 10.0 28 262 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.916 109.6 51.8 -72.1 -45.1 21.1 17.2 11.3 29 263 A L H < S+ 0 0 14 -4,-2.4 3,-0.4 1,-0.2 4,-0.2 0.916 111.4 49.7 -56.6 -41.9 22.1 16.8 15.0 30 264 A A H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.865 104.2 58.6 -65.7 -37.9 23.6 20.3 14.9 31 265 A L H >< S+ 0 0 1 -4,-1.4 3,-1.7 1,-0.3 -1,-0.2 0.756 91.4 67.9 -64.4 -29.2 20.5 21.9 13.3 32 266 A K T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.573 106.9 44.0 -66.1 -10.9 18.2 20.8 16.2 33 267 A G T < S+ 0 0 37 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.3 -0.059 98.1 99.3-123.5 32.0 20.3 23.4 18.1 34 268 A A S < S- 0 0 18 -3,-1.7 2,-0.1 1,-0.0 -29,-0.0 -0.828 76.7-100.1-118.4 156.2 20.3 26.2 15.6 35 269 A S >> - 0 0 38 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.379 33.8-115.6 -70.3 150.4 18.3 29.4 15.1 36 270 A D H 3> S+ 0 0 121 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.879 120.9 55.6 -51.4 -34.3 15.4 29.3 12.6 37 271 A E H 3> S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.832 105.5 46.2 -67.8 -41.4 17.6 31.9 10.9 38 272 A L H <> S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.848 108.5 60.3 -72.5 -31.0 20.8 29.7 10.6 39 273 A K H X S+ 0 0 64 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.933 107.0 42.6 -58.5 -51.7 18.6 26.9 9.4 40 274 A E H X S+ 0 0 116 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.844 111.6 55.6 -65.4 -35.6 17.3 28.8 6.3 41 275 A K H < S+ 0 0 43 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.865 113.4 42.9 -63.6 -35.1 20.9 30.0 5.7 42 276 A I H >< S+ 0 0 9 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.891 113.1 48.8 -77.5 -44.5 22.0 26.3 5.7 43 277 A F H >< S+ 0 0 38 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.888 103.5 63.0 -64.5 -35.9 19.1 24.9 3.6 44 278 A K T 3< S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 102.2 51.8 -61.8 -20.4 19.6 27.7 1.0 45 279 A N T < S+ 0 0 16 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.145 95.0 81.5-106.2 19.5 23.1 26.3 0.3 46 280 A M S < S- 0 0 37 -3,-1.7 -30,-0.0 1,-0.1 5,-0.0 -0.922 86.1 -99.7-120.9 150.4 22.3 22.7 -0.3 47 281 A S > - 0 0 71 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.075 40.0-101.9 -60.9 168.9 21.0 21.1 -3.6 48 282 A K H > S+ 0 0 200 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.866 124.3 39.5 -59.2 -40.0 17.2 20.4 -3.9 49 283 A R H > S+ 0 0 185 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.902 109.6 56.3 -77.7 -48.9 17.9 16.7 -3.2 50 284 A A H > S+ 0 0 35 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.831 109.2 50.8 -53.8 -34.7 20.5 17.1 -0.5 51 285 A A H X S+ 0 0 18 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.831 107.8 51.0 -72.3 -36.3 18.0 19.2 1.4 52 286 A A H X S+ 0 0 51 -4,-0.8 4,-1.3 -3,-0.4 -2,-0.2 0.838 108.1 52.1 -70.5 -35.9 15.2 16.5 1.0 53 287 A L H X S+ 0 0 101 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.826 109.0 53.2 -66.2 -34.2 17.6 13.8 2.4 54 288 A L H X S+ 0 0 2 -4,-1.1 4,-2.6 -5,-0.3 -2,-0.2 0.917 107.4 47.9 -66.8 -46.7 18.2 16.1 5.3 55 289 A K H X S+ 0 0 130 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.784 109.5 55.8 -65.9 -25.7 14.5 16.5 6.1 56 290 A D H X S+ 0 0 101 -4,-1.3 4,-2.9 2,-0.2 3,-0.4 0.979 110.0 44.3 -67.5 -55.6 14.2 12.8 5.8 57 291 A E H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.889 111.2 53.9 -55.2 -46.5 16.9 12.3 8.5 58 292 A L H X S+ 0 0 37 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.851 114.1 41.4 -59.9 -36.3 15.4 15.0 10.7 59 293 A E H < S+ 0 0 175 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.874 114.2 53.7 -78.3 -37.2 12.0 13.3 10.7 60 294 A Y H < S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.893 105.0 55.1 -61.0 -45.9 13.5 9.8 11.0 61 295 A M H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.892 74.4 179.5 -56.4 -62.2 15.6 10.6 14.2 62 296 A G < + 0 0 29 -4,-0.9 2,-0.3 2,-0.0 -1,-0.2 -0.647 53.7 13.2 91.9-143.1 13.2 11.9 16.7 63 297 A P S S- 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.557 72.6-175.2 -73.6 129.1 14.3 13.0 20.2 64 298 A V - 0 0 59 -2,-0.3 2,-0.3 -35,-0.1 -2,-0.0 -0.853 27.5 -94.8-124.4 163.4 18.1 13.4 20.6 65 299 A R >> - 0 0 106 -2,-0.3 4,-1.7 1,-0.1 3,-1.0 -0.601 22.2-132.6 -82.8 138.0 20.5 14.1 23.4 66 300 A L H 3> S+ 0 0 130 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.822 107.5 52.1 -50.4 -44.6 21.8 17.7 24.2 67 301 A K H 3> S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.769 105.8 54.0 -66.3 -30.4 25.4 16.5 24.4 68 302 A D H <> S+ 0 0 26 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.876 108.8 50.3 -71.4 -35.9 25.2 14.8 21.0 69 303 A V H X S+ 0 0 15 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.921 111.2 47.8 -66.2 -46.1 24.0 18.1 19.5 70 304 A E H X S+ 0 0 105 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.844 111.8 50.4 -64.6 -37.2 26.9 20.0 21.1 71 305 A E H X S+ 0 0 82 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.904 107.9 51.6 -68.8 -41.7 29.4 17.4 19.9 72 306 A A H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.841 109.2 52.8 -61.8 -34.5 28.1 17.6 16.3 73 307 A Q H X S+ 0 0 30 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.873 108.6 47.9 -68.8 -40.3 28.5 21.4 16.5 74 308 A Q H X S+ 0 0 109 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.837 108.9 54.5 -68.6 -36.8 32.2 21.2 17.6 75 309 A K H X S+ 0 0 76 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.897 110.4 46.6 -64.4 -39.1 33.0 18.7 14.9 76 310 A I H X S+ 0 0 6 -4,-1.5 4,-1.6 1,-0.2 3,-0.3 0.872 110.4 52.9 -71.1 -36.3 31.5 21.2 12.3 77 311 A I H X S+ 0 0 18 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.868 104.8 55.6 -67.1 -35.6 33.5 24.1 13.9 78 312 A N H X S+ 0 0 102 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.796 104.6 53.5 -65.2 -31.0 36.8 22.1 13.6 79 313 A I H X S+ 0 0 3 -4,-1.0 4,-2.7 -3,-0.3 5,-0.2 0.945 108.3 49.3 -66.6 -49.4 36.2 21.6 9.8 80 314 A I H X S+ 0 0 11 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.919 109.6 52.3 -53.1 -48.4 35.8 25.4 9.4 81 315 A R H X S+ 0 0 165 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.873 111.6 47.2 -57.4 -39.8 39.0 25.9 11.4 82 316 A R H X S+ 0 0 113 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.891 112.5 47.4 -70.1 -43.2 40.7 23.4 9.0 83 317 A L H <>S+ 0 0 10 -4,-2.7 5,-2.8 1,-0.2 6,-0.3 0.693 105.2 61.8 -72.1 -20.7 39.4 25.1 5.8 84 318 A E H ><5S+ 0 0 115 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.2 0.880 99.4 53.8 -72.5 -38.4 40.4 28.5 7.1 85 319 A E H 3<5S+ 0 0 130 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.863 106.9 51.8 -63.9 -34.7 44.0 27.5 7.2 86 320 A A T 3<5S- 0 0 68 -4,-1.0 -1,-0.3 1,-0.0 -2,-0.2 0.100 121.4-114.5 -87.8 19.9 43.7 26.5 3.5 87 321 A G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.705 80.7 121.4 53.5 36.2 42.3 30.0 2.9 88 322 A E < + 0 0 74 -5,-2.8 2,-0.5 -8,-0.1 -4,-0.2 0.409 45.4 90.4-107.3 2.3 38.7 29.0 1.9 89 323 A I + 0 0 27 -6,-0.3 2,-0.4 -5,-0.2 -79,-0.0 -0.874 51.6 179.2-101.3 130.2 36.7 30.8 4.6 90 324 A V - 0 0 79 -2,-0.5 -79,-2.2 -79,-0.1 -76,-0.2 -0.998 27.3-123.2-134.6 128.2 35.6 34.3 3.8 91 325 A I B -A 10 0A 117 -2,-0.4 -81,-0.3 -81,-0.2 5,-0.1 -0.484 37.7-109.1 -68.9 138.0 33.5 36.7 6.0 92 326 A A > - 0 0 27 -83,-1.7 3,-1.5 -2,-0.2 -1,-0.1 -0.033 35.2 -89.0 -64.3 168.6 30.3 38.0 4.3 93 327 A R T 3 S+ 0 0 244 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.881 125.4 18.5 -43.7 -59.4 29.6 41.5 3.1 94 328 A G T 3 S+ 0 0 77 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.051 92.6 116.0-106.1 27.2 28.2 42.9 6.4 95 329 A G < + 0 0 14 -3,-1.5 2,-0.3 -86,-0.1 -1,-0.1 0.025 48.9 103.3 -85.9 29.8 29.6 40.2 8.6 96 330 A G - 0 0 64 -3,-0.1 2,-0.4 -5,-0.1 -3,-0.0 -0.762 58.1-140.5-109.9 158.4 31.9 42.4 10.7 97 331 A E - 0 0 142 -2,-0.3 2,-0.5 0, 0.0 -2,-0.0 -0.955 9.6-132.0-125.3 136.9 31.5 43.8 14.2 98 332 A E - 0 0 183 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.699 33.1-167.5 -83.8 125.4 32.2 47.2 15.7 99 333 A L - 0 0 131 -2,-0.5 2,-0.4 0, 0.0 -1,-0.0 -0.711 20.0-154.1-114.4 165.8 34.2 46.9 19.0 100 334 A I 0 0 163 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.987 360.0 360.0-138.8 120.9 35.2 49.0 22.0 101 335 A M 0 0 233 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.189 360.0 360.0 -61.8 360.0 38.3 48.2 24.0 102 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 235 B M 0 0 213 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.7 13.9 -13.3 22.2 104 236 B F - 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