==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAR-08 3CGZ . COMPND 2 MOLECULE: VIRULENCE SENSOR HISTIDINE KINASE PHOQ; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.T.GUARNIERI,L.ZHANG,J.SHEN,R.ZHAO . 411 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 19.7 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 28 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 0 6 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 . 3 0 0 3 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 1 331 A S 0 0 158 0, 0.0 2,-0.6 0, 0.0 143,-0.0 0.000 360.0 360.0 360.0-158.9 33.2 38.0 0.1 2 332 A V - 0 0 58 2,-0.0 141,-1.5 140,-0.0 2,-0.4 -0.701 360.0-178.8 -87.5 122.0 33.5 34.5 -1.3 3 333 A L E -A 142 0A 107 -2,-0.6 2,-0.4 139,-0.2 139,-0.2 -0.966 4.6-167.7-119.2 131.1 30.7 32.1 -0.5 4 334 A L E -A 141 0A 51 137,-2.6 137,-2.1 -2,-0.4 2,-0.2 -0.935 19.8-129.7-122.9 143.4 30.6 28.4 -1.7 5 335 A S E -A 140 0A 102 -2,-0.4 2,-0.3 135,-0.2 135,-0.3 -0.553 33.0-125.6 -81.2 151.7 27.9 25.8 -1.7 6 336 A R - 0 0 71 133,-3.8 2,-0.4 -2,-0.2 -1,-0.0 -0.724 26.2 -93.8-101.3 153.7 28.9 22.5 -0.2 7 337 A E - 0 0 150 -2,-0.3 38,-1.2 1,-0.0 2,-0.4 -0.491 40.9-159.7 -66.9 116.8 28.8 19.1 -1.8 8 338 A L E -B 44 0B 85 -2,-0.4 36,-0.2 36,-0.2 39,-0.0 -0.787 2.3-159.5 -99.3 142.2 25.5 17.3 -0.8 9 339 A H E -B 43 0B 20 34,-2.4 34,-2.6 -2,-0.4 2,-0.0 -0.975 22.0-121.6-124.7 120.4 25.2 13.5 -1.1 10 340 A P E > -B 42 0B 76 0, 0.0 4,-0.7 0, 0.0 32,-0.3 -0.366 21.4-151.2 -59.3 132.6 21.8 11.8 -1.3 11 341 A V H > S+ 0 0 0 30,-2.7 4,-2.2 27,-0.2 3,-0.5 0.918 82.1 63.0 -74.5 -47.2 21.5 9.4 1.7 12 342 A A H > S+ 0 0 20 29,-0.5 4,-2.4 26,-0.4 -1,-0.1 0.899 102.8 49.1 -48.2 -51.8 19.2 6.7 0.4 13 343 A P H > S+ 0 0 80 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.879 110.9 51.8 -59.2 -36.0 21.5 5.5 -2.4 14 344 A L H X S+ 0 0 24 -4,-0.7 4,-1.2 -3,-0.5 -2,-0.2 0.913 112.7 43.4 -66.3 -43.2 24.5 5.3 -0.0 15 345 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.853 103.3 67.9 -71.7 -33.0 22.6 3.2 2.5 16 346 A D H X S+ 0 0 92 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.916 102.1 45.6 -51.9 -49.1 21.2 1.0 -0.2 17 347 A N H X S+ 0 0 126 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.896 112.2 50.3 -63.4 -42.3 24.6 -0.4 -1.0 18 348 A L H X S+ 0 0 31 -4,-1.2 4,-2.4 1,-0.2 5,-0.2 0.922 109.5 52.6 -62.0 -43.0 25.5 -1.0 2.6 19 349 A I H X S+ 0 0 26 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.865 106.8 51.9 -60.1 -41.0 22.2 -2.8 3.2 20 350 A S H X S+ 0 0 53 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.909 111.1 47.4 -63.4 -43.1 22.9 -5.1 0.2 21 351 A A H X S+ 0 0 54 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.915 113.7 46.5 -65.4 -44.4 26.3 -6.1 1.6 22 352 A L H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.857 104.9 61.2 -67.0 -35.5 25.0 -6.7 5.1 23 353 A N H < S+ 0 0 83 -4,-2.3 -1,-0.2 -5,-0.2 8,-0.2 0.922 109.5 42.7 -57.7 -41.5 22.1 -8.7 3.8 24 354 A K H >< S+ 0 0 148 -4,-1.4 3,-1.0 1,-0.2 4,-0.3 0.902 111.6 54.0 -71.1 -41.6 24.6 -11.2 2.4 25 355 A V H 3< S+ 0 0 80 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.872 121.2 30.3 -61.1 -38.0 26.9 -11.1 5.4 26 356 A Y T 3X>S+ 0 0 13 -4,-2.6 4,-1.5 1,-0.2 5,-1.4 0.106 82.5 113.9-111.0 23.3 24.0 -12.0 7.8 27 357 A Q T <45S+ 0 0 125 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.844 75.6 55.8 -63.1 -34.2 21.8 -14.1 5.5 28 358 A R T 45S+ 0 0 96 -4,-0.3 -1,-0.2 -3,-0.2 233,-0.1 0.910 108.6 47.6 -65.5 -38.2 22.4 -17.3 7.4 29 359 A K T 45S- 0 0 2 231,-0.1 -1,-0.2 -4,-0.1 -2,-0.2 0.810 114.2-128.3 -69.2 -28.0 21.1 -15.5 10.5 30 360 A G T <5 - 0 0 21 -4,-1.5 2,-0.3 -7,-0.2 -3,-0.2 0.891 34.9-175.4 83.4 43.9 18.2 -14.3 8.4 31 361 A V < - 0 0 5 -5,-1.4 2,-0.6 -8,-0.2 37,-0.2 -0.555 13.3-154.9 -78.1 133.3 18.3 -10.6 9.0 32 362 A N E -c 68 0C 79 35,-3.5 37,-2.1 -2,-0.3 2,-0.5 -0.941 14.0-172.1-108.2 114.1 15.5 -8.5 7.4 33 363 A I E -c 69 0C 34 -2,-0.6 2,-0.3 35,-0.2 37,-0.2 -0.925 4.1-178.1-112.3 130.3 16.5 -4.9 6.9 34 364 A S E -c 70 0C 59 35,-2.5 37,-2.4 -2,-0.5 2,-0.4 -0.932 5.9-165.0-124.9 149.6 14.1 -2.2 5.8 35 365 A M E -c 71 0C 60 -2,-0.3 2,-0.4 35,-0.2 37,-0.2 -0.996 11.2-176.2-137.2 132.1 14.7 1.5 5.0 36 366 A D E +c 72 0C 138 35,-2.4 37,-0.6 -2,-0.4 2,-0.4 -0.815 29.6 144.0-128.3 87.7 12.3 4.4 4.7 37 367 A I - 0 0 19 -2,-0.4 37,-0.1 35,-0.2 -2,-0.0 -0.987 46.3-124.7-131.1 121.1 14.3 7.5 3.7 38 368 A S > - 0 0 48 -2,-0.4 3,-1.2 35,-0.2 -26,-0.4 -0.232 23.2-118.0 -61.7 150.8 13.0 10.1 1.3 39 369 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.668 111.0 68.1 -65.1 -12.9 15.1 10.9 -1.8 40 370 A E T 3 S+ 0 0 145 -30,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.808 74.6 101.5 -75.5 -30.7 15.4 14.5 -0.4 41 371 A I < + 0 0 9 -3,-1.2 -30,-2.7 -31,-0.1 -29,-0.5 -0.322 52.0 169.0 -59.7 125.6 17.5 13.4 2.6 42 372 A S E -B 10 0B 18 -32,-0.3 2,-0.4 -31,-0.1 -2,-0.0 -0.886 29.8-131.5-137.1 169.3 21.2 14.2 2.0 43 373 A F E -B 9 0B 0 -34,-2.6 -34,-2.4 -2,-0.3 2,-0.5 -0.973 13.2-147.6-123.8 136.0 24.5 14.4 3.8 44 374 A V E +B 8 0B 4 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.905 61.6 33.4-105.3 123.5 27.0 17.3 3.7 45 375 A G S S- 0 0 23 -38,-1.2 2,-0.6 -2,-0.5 -2,-0.1 -0.887 104.5 -5.3 134.6-166.8 30.7 16.4 4.0 46 376 A E >> - 0 0 119 -2,-0.3 3,-1.5 1,-0.2 4,-1.4 -0.510 55.6-149.7 -67.1 112.0 33.1 13.6 3.0 47 377 A Q H 3> S+ 0 0 82 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.837 94.9 60.5 -50.3 -38.0 30.9 10.8 1.5 48 378 A N H 3> S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.819 100.9 54.1 -61.3 -33.6 33.4 8.2 2.8 49 379 A D H <> S+ 0 0 22 -3,-1.5 4,-2.8 2,-0.2 5,-0.3 0.948 108.2 47.3 -67.6 -48.3 32.8 9.3 6.4 50 380 A F H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.931 114.5 48.0 -58.5 -45.2 29.0 8.9 6.2 51 381 A V H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.878 112.7 48.6 -63.8 -36.9 29.5 5.5 4.6 52 382 A E H X S+ 0 0 32 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.886 114.3 45.2 -70.7 -38.9 32.1 4.5 7.3 53 383 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.942 117.5 42.9 -68.8 -48.2 29.9 5.6 10.2 54 384 A M H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.3 0.842 108.6 58.7 -69.4 -32.2 26.7 4.0 8.9 55 385 A G H X S+ 0 0 19 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.927 110.3 44.6 -61.1 -42.3 28.5 0.9 7.9 56 386 A N H X S+ 0 0 30 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.920 115.1 45.9 -67.3 -46.2 29.6 0.5 11.5 57 387 A V H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.894 115.4 46.4 -66.8 -39.1 26.1 1.3 13.0 58 388 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.903 111.7 51.1 -70.2 -41.1 24.3 -0.9 10.6 59 389 A D H X S+ 0 0 43 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.931 110.6 49.4 -61.5 -43.5 26.7 -3.8 11.1 60 390 A N H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.912 109.1 52.4 -61.5 -42.2 26.3 -3.5 14.9 61 391 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.886 107.2 52.3 -63.6 -37.8 22.5 -3.5 14.5 62 392 A C H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.0 50.9 -65.2 -37.6 22.6 -6.7 12.5 63 393 A K H < S+ 0 0 31 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.2 36.0 -67.1 -42.0 24.7 -8.3 15.2 64 394 A Y H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.721 98.4 92.5 -85.4 -21.2 22.4 -7.4 18.0 65 395 A C < - 0 0 1 -4,-2.2 4,-0.1 -5,-0.2 23,-0.1 -0.175 66.3-144.0 -66.9 165.6 19.1 -7.8 16.3 66 396 A L S S- 0 0 20 2,-0.3 -1,-0.1 22,-0.1 22,-0.1 0.843 81.6 -43.0 -92.9 -53.0 17.1 -11.0 16.3 67 397 A E S S+ 0 0 59 1,-0.2 -35,-3.5 -36,-0.1 2,-0.4 0.421 117.0 76.4-154.0 -12.0 15.8 -10.7 12.8 68 398 A F E +c 32 0C 82 -37,-0.2 19,-1.4 57,-0.1 2,-0.4 -0.920 39.4 170.2-119.8 139.5 14.7 -7.1 12.2 69 399 A V E -cD 33 86C 1 -37,-2.1 -35,-2.5 -2,-0.4 2,-0.4 -0.993 12.1-168.4-139.5 130.6 16.5 -3.8 11.5 70 400 A E E -cD 34 85C 75 15,-2.8 15,-2.8 -2,-0.4 2,-0.4 -0.981 2.9-161.8-127.8 134.6 14.8 -0.6 10.4 71 401 A I E +cD 35 84C 5 -37,-2.4 -35,-2.4 -2,-0.4 2,-0.3 -0.928 18.2 156.2-117.6 137.5 16.4 2.6 9.1 72 402 A S E -cD 36 83C 14 11,-2.3 11,-3.3 -2,-0.4 2,-0.3 -0.894 16.1-159.8-146.5 173.0 14.8 6.1 9.0 73 403 A A E - D 0 82C 16 -37,-0.6 2,-0.3 -2,-0.3 9,-0.2 -0.998 10.9-173.6-159.2 159.0 16.0 9.7 8.8 74 404 A R E - D 0 81C 105 7,-2.4 7,-3.4 -2,-0.3 2,-0.3 -0.982 14.5-147.1-151.6 149.6 15.2 13.3 9.4 75 405 A Q E - 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