==== 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 3CGY . COMPND 2 MOLECULE: VIRULENCE SENSOR HISTIDINE KINASE PHOQ; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.T.GUARNIERI,L.ZHANG,J.SHEN,R.ZHAO . 378 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 20.4 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 30 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 2 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 . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 2 3 0 0 4 2 1 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 0 173 0, 0.0 2,-0.2 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 -38.7 53.6 -32.7 0.4 2 332 A V - 0 0 78 131,-0.1 131,-0.0 2,-0.0 0, 0.0 -0.616 360.0-163.7-153.9 94.5 54.4 -29.4 -1.2 3 333 A L - 0 0 120 -2,-0.2 2,-0.3 131,-0.2 131,-0.2 -0.158 14.4-171.5 -68.8 163.2 57.3 -26.9 -0.6 4 334 A L - 0 0 81 129,-0.4 129,-1.5 0, 0.0 2,-0.2 -0.997 23.3-115.1-156.3 152.1 57.2 -23.2 -1.8 5 335 A S B -A 132 0A 109 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.568 28.5-137.4 -86.1 151.7 59.4 -20.2 -2.1 6 336 A R - 0 0 66 125,-1.3 2,-0.4 -2,-0.2 127,-0.0 -0.800 32.6 -92.6-106.8 153.5 58.6 -17.1 -0.1 7 337 A E - 0 0 145 -2,-0.3 38,-1.6 1,-0.0 2,-0.6 -0.526 43.1-167.1 -68.7 121.1 58.8 -13.6 -1.6 8 338 A L E -B 44 0B 79 -2,-0.4 36,-0.2 36,-0.2 -1,-0.0 -0.921 4.8-173.8-114.0 110.6 62.2 -12.1 -0.9 9 339 A H E -B 43 0B 30 34,-2.0 34,-2.7 -2,-0.6 2,-0.1 -0.831 30.3-114.1-103.7 137.8 62.7 -8.4 -1.5 10 340 A P E > -B 42 0B 67 0, 0.0 4,-0.9 0, 0.0 32,-0.3 -0.477 20.9-151.4 -67.5 139.5 66.2 -6.8 -1.2 11 341 A V H > S+ 0 0 0 30,-2.0 4,-1.7 27,-0.2 5,-0.4 0.943 85.8 66.2 -78.0 -52.4 66.4 -4.4 1.7 12 342 A A H > S+ 0 0 20 29,-0.5 4,-1.4 26,-0.4 3,-0.3 0.845 106.9 44.5 -37.3 -48.9 69.0 -1.9 0.5 13 343 A P H > S+ 0 0 69 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.933 109.3 56.1 -64.8 -45.4 66.6 -0.8 -2.3 14 344 A L H < S+ 0 0 16 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.722 112.5 41.0 -58.9 -26.6 63.6 -0.6 0.0 15 345 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 3,-0.4 0.716 102.3 70.6 -95.8 -22.8 65.4 1.8 2.4 16 346 A D H X S+ 0 0 91 -4,-1.4 4,-2.2 -5,-0.4 -2,-0.2 0.943 102.6 40.4 -59.4 -52.4 67.0 3.9 -0.3 17 347 A N H X S+ 0 0 103 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.593 115.6 55.0 -75.2 -5.5 63.8 5.6 -1.6 18 348 A L H > S+ 0 0 17 -3,-0.4 4,-2.0 -5,-0.2 -2,-0.2 0.793 106.0 50.1 -91.3 -34.5 62.7 5.8 2.1 19 349 A I H X S+ 0 0 18 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.956 108.0 53.9 -65.9 -52.5 65.9 7.7 3.1 20 350 A S H X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.924 108.4 50.2 -46.4 -52.5 65.4 10.1 0.2 21 351 A A H X S+ 0 0 49 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.907 111.4 46.3 -56.6 -47.4 62.0 10.9 1.5 22 352 A L H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.948 105.5 61.6 -61.6 -47.3 63.1 11.5 5.1 23 353 A N H < S+ 0 0 69 -4,-3.4 3,-0.3 1,-0.3 4,-0.3 0.890 107.7 44.5 -42.4 -47.8 65.9 13.7 3.8 24 354 A K H >< S+ 0 0 150 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.880 109.7 54.3 -68.0 -39.8 63.3 16.0 2.3 25 355 A V H 3< S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.748 122.6 28.1 -66.0 -24.0 61.1 16.0 5.4 26 356 A Y T 3X>S+ 0 0 14 -4,-1.9 4,-1.7 -3,-0.3 5,-1.2 0.101 76.3 114.3-128.9 26.1 64.0 17.1 7.6 27 357 A Q T <45S+ 0 0 128 -3,-0.7 -1,-0.1 -4,-0.3 -3,-0.1 0.856 79.2 60.9 -63.1 -32.0 66.4 19.1 5.4 28 358 A R T 45S+ 0 0 78 -4,-0.3 -1,-0.2 1,-0.2 210,-0.1 0.917 105.5 46.8 -58.9 -44.8 65.5 22.1 7.6 29 359 A K T 45S- 0 0 1 -3,-0.2 -1,-0.2 208,-0.1 -2,-0.2 0.844 111.0-125.7 -67.6 -33.8 66.8 20.2 10.6 30 360 A G T <5 + 0 0 21 -4,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.624 40.5 176.8 97.4 15.5 70.0 19.2 8.8 31 361 A V < - 0 0 8 -5,-1.2 2,-0.5 -8,-0.1 -1,-0.2 -0.328 16.7-154.8 -60.3 124.9 69.8 15.4 9.3 32 362 A N E -c 68 0C 88 35,-3.7 37,-1.9 -2,-0.1 2,-0.5 -0.891 12.2-165.8-101.8 123.3 72.5 13.3 7.6 33 363 A I E +c 69 0C 29 -2,-0.5 2,-0.3 35,-0.2 37,-0.2 -0.931 9.5 176.3-118.2 127.3 71.5 9.7 6.9 34 364 A S E -c 70 0C 43 35,-2.5 37,-1.8 -2,-0.5 2,-0.3 -0.918 7.0-171.5-126.0 152.6 73.8 6.9 6.0 35 365 A M E -c 71 0C 55 -2,-0.3 2,-0.2 35,-0.2 37,-0.2 -0.980 9.2-168.7-138.6 145.5 73.3 3.3 5.4 36 366 A D E +c 72 0C 132 35,-1.9 37,-0.6 -2,-0.3 2,-0.5 -0.699 31.6 146.8-135.1 78.0 75.8 0.5 4.9 37 367 A I - 0 0 21 -2,-0.2 37,-0.1 35,-0.2 -2,-0.0 -0.968 43.2-127.8-124.6 125.5 73.9 -2.6 3.7 38 368 A S > - 0 0 37 -2,-0.5 3,-1.1 35,-0.2 -26,-0.4 -0.251 24.1-118.1 -63.4 151.6 75.1 -5.2 1.3 39 369 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 0.613 108.4 65.4 -67.4 -13.2 73.0 -6.1 -1.8 40 370 A E T 3 S+ 0 0 142 -30,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.725 77.1 100.6 -82.9 -22.3 72.6 -9.7 -0.7 41 371 A I < + 0 0 10 -3,-1.1 -30,-2.0 32,-0.1 -29,-0.5 -0.450 52.5 166.7 -69.4 131.6 70.6 -8.8 2.5 42 372 A S E -B 10 0B 19 -32,-0.3 2,-0.3 -2,-0.2 -2,-0.1 -0.871 31.4-124.5-142.7 173.3 66.8 -9.3 2.1 43 373 A F E -B 9 0B 0 -34,-2.7 -34,-2.0 -2,-0.3 2,-0.5 -0.911 14.9-147.5-121.6 147.1 63.5 -9.5 3.7 44 374 A V E +B 8 0B 4 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.2 -0.946 61.4 28.4-116.8 130.3 60.8 -12.3 3.6 45 375 A G S S- 0 0 28 -38,-1.6 2,-1.0 -2,-0.5 -36,-0.1 -0.783 106.8 -0.4 121.7-167.6 57.2 -11.5 3.8 46 376 A E >> - 0 0 96 -2,-0.3 3,-2.9 1,-0.2 4,-1.4 -0.432 55.7-151.3 -66.9 100.4 54.9 -8.5 2.9 47 377 A Q H 3> S+ 0 0 70 -2,-1.0 4,-1.9 1,-0.3 -1,-0.2 0.704 95.6 59.9 -40.6 -27.1 57.2 -5.9 1.5 48 378 A N H 3> S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.834 99.4 54.3 -76.5 -30.9 54.8 -3.3 2.8 49 379 A D H <> S+ 0 0 35 -3,-2.9 4,-2.4 2,-0.2 5,-0.3 0.931 108.1 51.3 -65.5 -43.8 55.2 -4.4 6.3 50 380 A F H >X S+ 0 0 0 -4,-1.4 4,-3.2 1,-0.2 3,-0.5 0.984 112.5 43.7 -54.6 -64.1 58.9 -3.9 6.0 51 381 A V H 3< S+ 0 0 45 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.756 113.8 51.6 -53.8 -30.1 58.6 -0.4 4.7 52 382 A E H 3X S+ 0 0 110 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.865 114.8 41.7 -77.4 -36.8 55.9 0.5 7.2 53 383 A V H S+ 0 0 20 -4,-0.4 4,-2.3 -5,-0.3 -1,-0.2 0.858 108.8 47.7 -88.0 -41.4 59.4 4.0 8.1 56 386 A N H X S+ 0 0 30 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.912 117.8 41.3 -62.1 -46.5 58.2 4.3 11.6 57 387 A V H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.931 116.4 47.5 -71.2 -45.5 61.6 3.6 13.1 58 388 A L H X S+ 0 0 2 -4,-1.1 4,-2.0 -5,-0.2 -2,-0.2 0.857 112.2 50.9 -65.4 -34.9 63.5 5.7 10.6 59 389 A D H X S+ 0 0 49 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.978 111.5 46.8 -64.2 -54.5 61.1 8.6 11.1 60 390 A N H X S+ 0 0 30 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.846 109.5 56.1 -55.3 -36.7 61.5 8.4 14.9 61 391 A A H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.955 105.4 50.3 -62.1 -50.0 65.3 8.2 14.5 62 392 A C H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.6 53.0 -57.9 -34.1 65.4 11.5 12.5 63 393 A K H < S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.955 114.5 36.9 -67.5 -53.0 63.3 13.2 15.1 64 394 A Y H < S+ 0 0 52 -4,-2.0 -2,-0.2 24,-0.1 -1,-0.2 0.636 100.5 94.8 -77.2 -14.1 65.4 12.4 18.2 65 395 A C < - 0 0 1 -4,-1.7 4,-0.1 -5,-0.2 -34,-0.1 -0.150 68.2-141.9 -72.3 170.7 68.7 12.7 16.5 66 396 A L S S- 0 0 17 2,-0.3 -1,-0.1 22,-0.1 22,-0.1 0.848 80.6 -46.6 -94.5 -57.5 70.9 15.8 16.4 67 397 A E S S+ 0 0 44 1,-0.2 -35,-3.7 -36,-0.1 2,-0.4 0.330 115.7 81.4-156.1 -3.6 72.1 15.5 12.9 68 398 A F E +c 32 0C 79 -37,-0.2 19,-1.5 -7,-0.1 2,-0.4 -0.942 38.6 172.2-124.3 138.6 73.2 11.9 12.4 69 399 A V E -cD 33 86C 0 -37,-1.9 -35,-2.5 -2,-0.4 2,-0.4 -0.989 12.4-164.2-137.5 125.4 71.4 8.6 11.6 70 400 A E E -cD 34 85C 72 15,-3.6 15,-2.7 -2,-0.4 2,-0.4 -0.935 4.7-168.8-114.2 132.8 73.3 5.4 10.9 71 401 A I E +cD 35 84C 3 -37,-1.8 -35,-1.9 -2,-0.4 2,-0.3 -0.972 17.7 146.5-125.2 136.7 71.6 2.3 9.3 72 402 A S E -cD 36 83C 29 11,-2.2 11,-3.7 -2,-0.4 2,-0.3 -0.964 21.6-155.1-157.9 164.4 73.0 -1.2 8.9 73 403 A A E - D 0 82C 6 -37,-0.6 2,-0.3 -2,-0.3 -35,-0.2 -0.989 6.6-160.6-150.1 156.1 71.8 -4.8 8.9 74 404 A R E - D 0 81C 161 7,-2.3 7,-3.2 -2,-0.3 2,-0.4 -0.988 11.9-148.7-137.3 145.1 72.7 -8.4 9.6 75 405 A Q E + D 0 80C 82 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.938 19.2 167.2-116.4 134.5 71.1 -11.6 8.4 76 406 A T - 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