==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/SIGNALING PROTEIN 19-FEB-13 4JAS . COMPND 2 MOLECULE: HISTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.I.PODGORNAIA,P.CASINO,A.MARINA,M.T.LAUB . 358 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 1 1 0 2 1 0 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 0 1 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 1 0 0 1 2 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 . 1 0 0 2 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 1 244 A L > 0 0 131 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 40.1 -31.9 38.1 59.2 2 245 A K T > + 0 0 166 1,-0.2 3,-1.6 2,-0.1 4,-0.2 0.989 360.0 66.0 -68.4 -55.1 -33.3 41.6 59.5 3 246 A R T >> S+ 0 0 69 1,-0.3 3,-1.1 2,-0.1 4,-0.7 0.491 73.0 99.0 -53.7 0.6 -31.0 43.3 57.0 4 247 A I H <> S+ 0 0 39 -3,-0.8 4,-1.7 1,-0.2 -1,-0.3 0.751 73.5 61.4 -56.4 -27.5 -32.6 41.2 54.3 5 248 A D H <> S+ 0 0 124 -3,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.792 98.7 56.0 -71.2 -29.9 -34.8 44.1 53.3 6 249 A R H <> S+ 0 0 145 -3,-1.1 4,-0.5 -4,-0.2 -1,-0.2 0.719 107.8 50.2 -72.8 -23.4 -31.7 46.2 52.4 7 250 A M H >X S+ 0 0 14 -4,-0.7 4,-1.1 -3,-0.3 3,-0.6 0.880 103.5 56.4 -80.7 -42.5 -30.7 43.4 50.0 8 251 A K H 3X S+ 0 0 73 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.763 105.7 53.0 -62.6 -27.8 -34.1 43.1 48.2 9 252 A T H 3X S+ 0 0 94 -4,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.735 106.1 51.0 -82.1 -24.1 -33.9 46.8 47.3 10 253 A E H < S+ 0 0 44 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.754 115.5 54.6 -84.9 -24.9 -29.5 42.4 33.4 19 262 A L H 3X S+ 0 0 37 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.818 105.2 54.1 -73.2 -32.2 -33.0 42.6 31.8 20 263 A R H 3X S+ 0 0 90 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.421 92.9 74.4 -86.4 3.7 -31.9 45.6 29.7 21 264 A T H <> S+ 0 0 34 -3,-0.5 4,-1.1 2,-0.2 3,-0.2 0.948 104.4 34.1 -77.0 -54.4 -28.9 43.8 28.2 22 265 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.838 114.6 61.2 -67.7 -28.6 -30.9 41.6 25.9 23 266 A L H X S+ 0 0 77 -4,-1.0 4,-2.6 1,-0.2 5,-0.3 0.850 98.2 57.7 -62.6 -35.0 -33.4 44.5 25.4 24 267 A T H X S+ 0 0 0 -4,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.913 108.1 46.1 -58.2 -46.1 -30.5 46.5 24.0 25 268 A V H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 5,-0.4 0.921 113.1 49.8 -62.0 -48.2 -29.9 43.9 21.3 26 269 A I H X S+ 0 0 33 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.966 115.7 39.6 -58.6 -58.9 -33.7 43.7 20.5 27 270 A K H X S+ 0 0 82 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.779 116.8 56.7 -63.1 -26.7 -34.3 47.4 20.1 28 271 A G H >X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 3,-0.8 1.000 110.7 36.3 -66.0 -71.6 -30.9 47.6 18.4 29 272 A Y H 3X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.824 115.4 58.2 -52.5 -36.4 -31.3 45.2 15.5 30 273 A A H 3X S+ 0 0 44 -4,-2.1 4,-2.3 -5,-0.4 -1,-0.3 0.878 109.8 42.8 -63.4 -40.1 -35.0 46.3 15.2 31 274 A E H > - 0 0 71 -2,-0.2 4,-1.6 1,-0.1 3,-0.8 -0.518 25.8-112.6 -81.0 157.8 -30.8 41.9 1.8 42 285 A L T 34 S+ 0 0 152 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.113 112.4 55.7 -83.6 23.2 -33.6 39.5 2.7 43 286 A S T 3> S+ 0 0 83 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.495 106.8 44.4-127.3 -18.9 -31.2 36.9 3.9 44 287 A T H <> S+ 0 0 39 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.685 107.1 63.2 -90.1 -29.1 -29.2 38.9 6.5 45 288 A L H X S+ 0 0 43 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.873 101.2 51.7 -54.7 -41.6 -32.6 40.2 7.6 46 289 A K H > S+ 0 0 139 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.940 107.9 50.4 -59.1 -50.8 -33.3 36.5 8.5 47 290 A E H X S+ 0 0 86 -4,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.841 113.3 48.1 -54.5 -36.9 -30.1 36.4 10.5 48 291 A F H X S+ 0 0 7 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.878 110.3 48.0 -75.4 -42.9 -31.2 39.6 12.3 49 292 A L H X S+ 0 0 82 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.897 107.3 59.5 -65.6 -39.4 -34.7 38.5 13.1 50 293 A E H X S+ 0 0 100 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 105.4 46.8 -50.6 -53.1 -33.3 35.2 14.5 51 294 A T H X S+ 0 0 17 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.821 109.7 54.2 -66.0 -31.2 -31.2 37.0 17.1 52 295 A I H X S+ 0 0 30 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 45.6 -63.1 -46.3 -34.2 39.2 18.1 53 296 A I H X S+ 0 0 102 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.909 115.6 46.6 -62.9 -43.3 -36.2 36.0 18.7 54 297 A E H X S+ 0 0 128 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.834 112.6 49.3 -68.9 -34.8 -33.4 34.3 20.6 55 298 A Q H X S+ 0 0 12 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.844 108.3 51.8 -77.5 -34.5 -32.7 37.4 22.7 56 299 A S H X S+ 0 0 51 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.725 108.6 54.5 -70.3 -22.5 -36.3 37.8 23.7 57 300 A N H X S+ 0 0 73 -4,-1.0 4,-2.0 -5,-0.2 -2,-0.2 0.836 103.8 54.6 -72.4 -35.9 -36.0 34.1 24.7 58 301 A H H X S+ 0 0 82 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.875 110.7 44.1 -66.0 -38.8 -33.1 34.9 26.9 59 302 A L H X S+ 0 0 35 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.701 107.6 58.9 -83.0 -18.8 -35.0 37.6 28.8 60 303 A E H X S+ 0 0 104 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.924 108.5 47.7 -63.9 -44.6 -38.0 35.3 29.0 61 304 A N H X S+ 0 0 89 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.854 105.6 56.0 -63.5 -40.4 -35.6 32.9 30.8 62 305 A L H X S+ 0 0 17 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.829 111.0 46.1 -63.3 -31.6 -34.3 35.6 33.1 63 306 A L H X S+ 0 0 76 -4,-1.1 4,-1.7 -3,-0.2 3,-0.4 0.887 107.9 56.2 -74.6 -42.8 -38.0 36.2 34.2 64 307 A N H X S+ 0 0 72 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.859 103.6 54.9 -53.5 -40.0 -38.5 32.4 34.5 65 308 A E H X S+ 0 0 58 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.840 105.1 53.2 -64.1 -35.4 -35.6 32.3 37.0 66 309 A L H X S+ 0 0 37 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.866 110.7 47.0 -66.6 -38.0 -37.4 35.0 39.0 67 310 A L H X S+ 0 0 77 -4,-1.7 4,-1.1 2,-0.2 5,-0.2 0.959 108.9 52.7 -66.6 -51.7 -40.6 32.9 39.1 68 311 A D H < S+ 0 0 29 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.763 107.5 55.3 -57.0 -27.8 -38.7 29.7 40.1 69 312 A F H >X S+ 0 0 20 -4,-1.2 3,-2.1 -5,-0.2 4,-1.9 0.987 111.1 41.2 -63.1 -61.0 -37.2 31.7 42.9 70 313 A S H 3X S+ 0 0 47 -4,-1.9 4,-1.0 1,-0.3 -2,-0.2 0.524 108.0 64.3 -69.4 -3.4 -40.6 32.7 44.3 71 314 A R H 3<>S+ 0 0 53 -4,-1.1 5,-2.6 2,-0.2 6,-0.9 0.638 108.0 40.8 -87.8 -18.7 -41.8 29.2 43.6 72 315 A L H <45S+ 0 0 10 -3,-2.1 -2,-0.2 -4,-0.5 -3,-0.1 0.770 114.5 49.4 -96.0 -35.5 -39.2 28.0 46.2 73 316 A E H <5S+ 0 0 91 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.913 114.9 45.1 -66.9 -45.3 -39.9 30.8 48.7 74 317 A R T <5S- 0 0 172 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.578 115.9-131.9 -72.4 -11.7 -43.6 30.1 48.4 75 318 A K T 5 + 0 0 147 1,-0.1 -3,-0.2 0, 0.0 -4,-0.1 0.866 69.4 114.0 67.1 47.6 -42.5 26.4 48.7 76 319 A S < + 0 0 57 -5,-2.6 2,-0.3 2,-0.1 -4,-0.2 0.382 30.5 130.4-124.8 2.8 -44.3 24.6 45.9 77 320 A L - 0 0 25 -6,-0.9 2,-0.3 -9,-0.1 -9,-0.0 -0.467 47.1-142.8 -73.3 122.9 -41.6 23.4 43.4 78 321 A Q - 0 0 149 -2,-0.3 2,-0.6 2,-0.0 -1,-0.1 -0.630 4.8-144.2 -85.9 138.9 -41.9 19.7 42.5 79 322 A I - 0 0 31 -2,-0.3 2,-1.0 133,-0.1 -1,-0.0 -0.914 7.8-159.6-108.8 113.9 -38.7 17.6 42.0 80 323 A N - 0 0 104 -2,-0.6 45,-0.2 2,-0.0 46,-0.1 -0.746 17.1-166.2 -98.7 92.4 -38.9 15.0 39.3 81 324 A R + 0 0 93 -2,-1.0 2,-0.3 42,-0.2 42,-0.2 -0.326 17.1 154.2 -77.6 155.8 -36.2 12.4 40.0 82 325 A E E -A 122 0A 103 40,-0.9 40,-2.2 38,-0.2 2,-0.7 -0.943 51.1 -80.8-166.5 166.9 -34.9 9.7 37.7 83 326 A K E +A 121 0A 149 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.693 56.2 170.0 -82.0 113.0 -31.7 7.6 37.1 84 327 A V E -A 120 0A 24 36,-2.1 36,-1.5 -2,-0.7 2,-0.8 -0.898 40.1-116.9-122.2 149.9 -29.2 9.7 35.2 85 328 A D E > -A 119 0A 51 -2,-0.3 4,-1.4 34,-0.2 3,-0.3 -0.804 22.9-162.2 -82.8 111.7 -25.5 9.3 34.4 86 329 A L H > S+ 0 0 3 32,-2.9 4,-3.0 -2,-0.8 5,-0.3 0.825 83.7 67.1 -65.7 -32.3 -23.8 12.2 36.1 87 330 A a H > S+ 0 0 4 31,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.923 110.6 33.2 -52.8 -50.1 -20.7 11.9 34.0 88 331 A D H > S+ 0 0 86 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.692 114.4 61.3 -83.8 -19.3 -22.6 12.9 30.8 89 332 A L H X S+ 0 0 12 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.943 110.5 39.0 -67.7 -49.7 -24.8 15.3 32.8 90 333 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.800 112.9 57.4 -71.1 -29.2 -21.9 17.4 33.9 91 334 A E H X S+ 0 0 101 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.894 107.0 48.3 -65.5 -39.6 -20.3 17.0 30.5 92 335 A S H X S+ 0 0 60 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.880 113.6 47.7 -63.8 -39.5 -23.4 18.5 29.0 93 336 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.855 111.0 49.9 -70.5 -38.2 -23.1 21.3 31.6 94 337 A V H < S+ 0 0 18 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.872 112.1 49.3 -65.5 -37.1 -19.4 21.8 30.9 95 338 A N H < S+ 0 0 115 -4,-2.1 3,-0.4 1,-0.2 4,-0.3 0.719 105.8 57.3 -75.4 -22.2 -20.3 22.0 27.2 96 339 A A H < S+ 0 0 53 -4,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.727 107.7 46.8 -78.3 -24.6 -23.1 24.5 27.8 97 340 A I S X S+ 0 0 3 -4,-0.9 4,-2.4 -3,-0.3 5,-0.3 0.328 83.2 107.5 -99.0 5.8 -20.7 27.0 29.5 98 341 A K H > S+ 0 0 84 -3,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.917 79.7 40.3 -48.9 -62.2 -18.1 26.6 26.7 99 342 A E H > S+ 0 0 167 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.813 115.5 51.4 -64.5 -34.6 -18.5 30.0 25.0 100 343 A F H > S+ 0 0 58 -4,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.914 113.3 44.0 -68.3 -44.4 -18.9 32.0 28.2 101 344 A A H <>S+ 0 0 0 -4,-2.4 5,-3.9 1,-0.2 -2,-0.2 0.831 110.6 56.1 -71.0 -34.6 -15.7 30.5 29.8 102 345 A S H ><5S+ 0 0 63 -4,-2.2 3,-2.4 -5,-0.3 -2,-0.2 0.943 100.1 60.4 -58.6 -51.0 -13.8 31.0 26.5 103 346 A S H 3<5S+ 0 0 24 -4,-1.9 167,-0.3 1,-0.3 -2,-0.2 0.890 112.0 35.7 -44.6 -55.1 -14.5 34.7 26.4 104 347 A H T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 166,-0.1 -2,-0.2 0.165 118.1-110.5 -93.1 20.2 -12.8 35.4 29.7 105 348 A N T < 5 + 0 0 93 -3,-2.4 44,-0.7 1,-0.2 2,-0.5 0.907 64.0 155.3 51.7 52.1 -10.1 32.9 29.0 106 349 A V E < -b 149 0B 8 -5,-3.9 2,-0.5 42,-0.1 44,-0.3 -0.938 39.1-133.5-110.0 128.1 -11.3 30.4 31.7 107 350 A N E -b 150 0B 85 42,-3.5 44,-3.5 -2,-0.5 2,-0.6 -0.696 13.2-151.2 -85.0 125.7 -10.5 26.8 31.3 108 351 A V E +b 151 0B 14 -2,-0.5 2,-0.4 42,-0.2 44,-0.2 -0.873 20.5 179.7 -98.8 123.1 -13.4 24.3 31.9 109 352 A L E -b 152 0B 72 42,-2.6 44,-3.3 -2,-0.6 2,-0.4 -0.972 17.4-163.6-129.1 137.6 -12.3 20.9 33.2 110 353 A F E +b 153 0B 54 -2,-0.4 2,-0.4 42,-0.2 44,-0.2 -0.987 13.6 176.3-120.0 129.2 -14.2 17.8 34.2 111 354 A E E -b 154 0B 75 42,-3.2 44,-2.7 -2,-0.4 2,-0.5 -0.997 13.2-159.9-134.2 129.5 -12.5 15.1 36.3 112 355 A S E -b 155 0B 39 -2,-0.4 44,-0.2 42,-0.2 4,-0.1 -0.949 7.9-170.5-113.2 126.5 -14.0 11.8 37.7 113 356 A N S S+ 0 0 94 42,-2.1 43,-0.2 -2,-0.5 -1,-0.1 0.700 78.2 53.1 -83.5 -22.8 -12.3 10.0 40.6 114 357 A V S S- 0 0 29 41,-0.8 4,-0.2 1,-0.1 41,-0.1 -0.889 108.1 -81.7-114.5 142.6 -14.5 7.0 40.2 115 358 A P - 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