==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUN-11 3SL2 . COMPND 2 MOLECULE: SENSOR HISTIDINE KINASE YYCG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.CELIKEL,V.H.VELDORE,I.MATHEWS,K.DEVINE,K.I.VARUGHESE . 145 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 450 A M 0 0 144 0, 0.0 37,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.6 -43.1 20.4 -4.8 2 451 A W E -A 37 0A 94 35,-0.2 2,-0.4 33,-0.0 35,-0.2 -0.704 360.0-163.0-106.0 145.5 -42.1 17.7 -2.3 3 452 A I E -A 36 0A 20 33,-2.3 33,-2.1 -2,-0.3 2,-1.0 -0.983 29.2-116.2-130.8 145.1 -40.1 14.6 -2.9 4 453 A Q E > -A 35 0A 40 -2,-0.4 4,-2.3 31,-0.2 31,-0.2 -0.681 31.9-163.7 -77.5 105.5 -39.7 11.4 -0.9 5 454 A I H > S+ 0 0 0 29,-2.0 4,-2.1 -2,-1.0 5,-0.2 0.742 79.3 56.5 -72.8 -25.1 -36.0 11.8 -0.1 6 455 A V H > S+ 0 0 19 28,-0.5 4,-2.1 26,-0.2 -1,-0.2 0.961 112.7 40.9 -70.6 -51.0 -35.3 8.2 1.0 7 456 A R H > S+ 0 0 192 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.939 114.6 54.9 -55.9 -48.6 -36.6 6.7 -2.3 8 457 A F H X S+ 0 0 40 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.903 110.7 42.4 -57.4 -47.5 -34.9 9.5 -4.2 9 458 A M H X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.855 107.6 60.2 -67.9 -37.3 -31.5 8.9 -2.7 10 459 A S H X S+ 0 0 30 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.900 107.3 47.4 -57.6 -42.0 -31.7 5.1 -3.0 11 460 A L H X S+ 0 0 110 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.856 111.2 50.3 -68.3 -39.5 -32.1 5.5 -6.7 12 461 A I H X S+ 0 0 6 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.960 113.7 45.0 -58.8 -53.2 -29.2 7.9 -6.9 13 462 A I H X S+ 0 0 1 -4,-3.1 4,-3.4 1,-0.2 3,-0.4 0.909 109.6 57.2 -57.6 -42.3 -27.0 5.5 -5.0 14 463 A D H X S+ 0 0 52 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.892 103.6 51.6 -58.4 -40.9 -28.3 2.6 -7.1 15 464 A R H < S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.8 41.0 -68.7 -29.5 -27.1 4.3 -10.3 16 465 A F H >< S+ 0 0 45 -4,-1.4 3,-1.0 -3,-0.4 -2,-0.2 0.837 111.7 55.2 -78.3 -39.3 -23.6 4.7 -8.7 17 466 A E H 3< S+ 0 0 93 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.722 110.7 47.6 -66.7 -20.4 -23.6 1.2 -7.1 18 467 A M T 3< S+ 0 0 160 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.2 0.356 94.7 84.0-106.5 2.4 -24.3 -0.4 -10.5 19 468 A T S < S- 0 0 92 -3,-1.0 2,-0.2 -4,-0.1 -4,-0.0 -0.939 96.9 -37.4-119.6 131.3 -21.7 1.3 -12.7 20 469 A K S S- 0 0 203 -2,-0.5 2,-0.3 1,-0.0 -4,-0.0 -0.457 91.6 -62.7 68.7-127.6 -18.0 0.4 -13.3 21 470 A E 0 0 185 -2,-0.2 -3,-0.1 3,-0.0 -1,-0.0 -0.957 360.0 360.0-159.6 144.4 -16.2 -0.7 -10.1 22 471 A Q 0 0 80 -2,-0.3 39,-0.0 -5,-0.1 38,-0.0 -0.977 360.0 360.0-124.5 360.0 -15.3 0.7 -6.7 23 ! 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 24 474 A E 0 0 49 0, 0.0 40,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.5 -18.7 -0.5 -1.6 25 475 A F E -c 64 0B 23 38,-0.2 2,-0.4 -8,-0.1 40,-0.2 -0.978 360.0-168.9-125.1 124.5 -21.9 1.4 -0.5 26 476 A I E -c 65 0B 71 38,-2.7 40,-3.1 -2,-0.4 2,-0.4 -0.893 8.5-150.4-115.8 142.8 -23.3 1.4 3.1 27 477 A R E +c 66 0B 82 -2,-0.4 2,-0.3 38,-0.2 40,-0.2 -0.944 28.5 172.6-127.8 125.5 -26.7 2.7 4.2 28 478 A N E +c 67 0B 95 38,-3.2 40,-2.5 -2,-0.4 -2,-0.0 -0.633 40.9 145.8-117.2 68.3 -28.1 4.2 7.4 29 479 A L - 0 0 39 -2,-0.3 40,-0.1 38,-0.2 -2,-0.1 -0.937 43.1-125.8-116.5 121.4 -31.5 5.2 5.8 30 480 A P - 0 0 29 0, 0.0 2,-1.6 0, 0.0 4,-0.2 -0.208 12.1-127.9 -71.5 149.5 -34.8 5.1 7.7 31 481 A D S S+ 0 0 171 2,-0.1 2,-0.3 -25,-0.0 -2,-0.0 -0.564 74.0 121.1 -84.2 66.3 -38.0 3.3 6.7 32 482 A R S S- 0 0 98 -2,-1.6 2,-1.5 2,-0.1 -26,-0.2 -0.972 73.3-117.4-136.6 147.9 -39.8 6.6 7.2 33 483 A D + 0 0 75 -2,-0.3 2,-0.4 114,-0.3 -2,-0.1 -0.627 46.5 170.6 -89.4 83.3 -41.8 8.7 4.8 34 484 A L - 0 0 0 -2,-1.5 -29,-2.0 -4,-0.2 -28,-0.5 -0.813 13.9-164.1-105.5 131.1 -39.7 11.9 4.7 35 485 A Y E -AB 4 146A 78 111,-2.8 111,-2.1 -2,-0.4 2,-0.3 -0.910 4.7-169.9-117.2 139.8 -40.4 14.7 2.2 36 486 A V E -AB 3 145A 0 -33,-2.1 -33,-2.3 -2,-0.4 2,-0.9 -0.904 22.1-133.3-123.0 151.6 -38.2 17.6 1.2 37 487 A E E +A 2 0A 111 107,-0.5 2,-0.3 -2,-0.3 -35,-0.2 -0.833 63.3 109.2-109.0 89.5 -39.1 20.7 -0.9 38 488 A I S S- 0 0 3 -2,-0.9 -2,-0.1 -37,-0.6 2,-0.1 -0.943 74.7 -94.8-159.9 142.2 -36.3 21.0 -3.4 39 489 A D >> - 0 0 84 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 -0.405 31.6-122.8 -66.4 139.1 -36.3 20.4 -7.1 40 490 A Q H 3> S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.847 110.8 52.3 -40.7 -47.6 -35.2 16.9 -8.2 41 491 A D H 3> S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.814 109.0 48.4 -70.4 -30.5 -32.5 18.4 -10.4 42 492 A K H <> S+ 0 0 69 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.928 112.6 46.4 -75.3 -46.7 -31.0 20.5 -7.6 43 493 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.869 109.9 56.7 -65.3 -34.4 -30.8 17.8 -5.0 44 494 A T H X S+ 0 0 22 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.935 107.7 47.3 -57.2 -46.3 -29.4 15.5 -7.7 45 495 A Q H X S+ 0 0 73 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 110.7 52.2 -63.2 -42.0 -26.5 18.0 -8.3 46 496 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.975 117.0 37.8 -57.3 -56.4 -25.9 18.3 -4.6 47 497 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.916 114.5 53.6 -65.0 -41.7 -25.6 14.5 -4.1 48 498 A D H X S+ 0 0 33 -4,-3.1 4,-2.9 -5,-0.3 -1,-0.2 0.909 110.1 49.4 -60.0 -40.5 -23.8 13.9 -7.4 49 499 A N H X S+ 0 0 35 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.892 114.1 43.6 -68.7 -39.4 -21.1 16.4 -6.5 50 500 A I H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.915 116.3 46.9 -71.2 -43.2 -20.6 15.0 -3.0 51 501 A I H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.924 108.0 56.7 -64.3 -42.1 -20.6 11.4 -4.2 52 502 A S H X S+ 0 0 56 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.909 109.9 46.1 -55.9 -43.6 -18.2 12.3 -7.1 53 503 A N H X S+ 0 0 36 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.922 109.0 53.7 -63.6 -46.9 -15.7 13.6 -4.5 54 504 A A H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.5 38.9 -57.5 -42.4 -16.0 10.6 -2.2 55 505 A L H >< S+ 0 0 63 -4,-2.5 3,-1.0 2,-0.2 -1,-0.2 0.880 114.1 53.7 -74.5 -41.0 -15.2 8.3 -5.1 56 506 A K H 3< S+ 0 0 146 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.849 117.5 37.5 -58.4 -36.7 -12.6 10.5 -6.7 57 507 A Y T 3< S+ 0 0 101 -4,-2.3 29,-1.9 -5,-0.2 -1,-0.2 0.213 99.7 99.3-106.9 12.3 -10.7 10.8 -3.4 58 508 A S < - 0 0 35 -3,-1.0 2,-0.2 27,-0.2 27,-0.1 -0.702 51.4-161.6-100.5 149.0 -11.3 7.1 -2.2 59 509 A P > + 0 0 71 0, 0.0 3,-2.0 0, 0.0 25,-0.1 -0.563 47.9 2.7-116.5-175.1 -8.9 4.2 -2.4 60 510 A E T 3 S- 0 0 99 1,-0.3 -2,-0.1 -2,-0.2 0, 0.0 0.043 119.2 -40.4 50.8-143.6 -8.9 0.4 -2.2 61 511 A G T 3 S+ 0 0 50 -39,-0.0 -1,-0.3 2,-0.0 -39,-0.1 -0.494 91.7 172.6-104.7 54.2 -12.4 -1.2 -1.8 62 512 A G < - 0 0 12 -3,-2.0 2,-0.4 1,-0.1 -4,-0.1 -0.187 31.0-111.3 -66.4 155.9 -13.1 1.6 0.6 63 513 A H - 0 0 86 -38,-0.1 2,-0.5 22,-0.0 21,-0.3 -0.733 19.0-162.4 -94.3 134.8 -16.6 2.2 2.1 64 514 A V E -c 25 0B 3 -40,-1.9 -38,-2.7 -2,-0.4 2,-0.5 -0.985 18.4-161.6-109.0 119.2 -18.9 5.1 1.2 65 515 A T E -cD 26 82B 20 17,-2.3 17,-2.7 -2,-0.5 2,-0.4 -0.880 7.2-161.2-112.2 126.3 -21.6 5.4 3.9 66 516 A F E -cD 27 81B 1 -40,-3.1 -38,-3.2 -2,-0.5 2,-0.4 -0.841 12.9-179.9-101.9 134.8 -24.8 7.3 3.5 67 517 A S E -cD 28 80B 16 13,-2.2 13,-2.6 -2,-0.4 2,-0.4 -0.996 17.3-168.0-134.7 145.1 -26.9 8.3 6.5 68 518 A I E + D 0 79B 5 -40,-2.5 2,-0.4 -2,-0.4 11,-0.2 -0.993 15.2 179.9-124.1 121.6 -30.2 10.2 7.0 69 519 A D E - D 0 78B 101 9,-2.3 9,-3.0 -2,-0.4 2,-0.5 -0.955 19.6-135.2-121.3 144.6 -30.9 11.3 10.6 70 520 A V E - D 0 77B 25 -2,-0.4 2,-0.8 7,-0.2 7,-0.2 -0.861 12.0-167.2-108.8 122.9 -34.0 13.1 11.6 71 521 A N E >> - D 0 76B 37 5,-3.1 5,-1.9 -2,-0.5 4,-1.0 -0.833 10.3-179.5-102.8 93.7 -34.0 16.1 13.9 72 522 A E T 45S+ 0 0 93 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.845 77.1 55.8 -64.8 -34.8 -37.7 16.4 14.7 73 523 A E T 45S+ 0 0 172 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.810 115.7 35.8 -65.7 -37.7 -37.2 19.5 16.9 74 524 A E T 45S- 0 0 105 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.504 105.4-127.3 -91.0 -8.2 -35.5 21.5 14.3 75 525 A E T <5 + 0 0 106 -4,-1.0 70,-1.4 1,-0.2 2,-0.4 0.889 68.5 127.7 55.4 42.9 -37.7 20.0 11.5 76 526 A L E < -DE 71 144B 28 -5,-1.9 -5,-3.1 68,-0.2 2,-0.4 -0.968 54.5-144.0-128.4 141.6 -34.4 19.2 9.6 77 527 A L E -DE 70 143B 0 66,-2.9 66,-1.6 -2,-0.4 2,-0.6 -0.851 14.1-147.7 -94.3 146.6 -32.9 16.1 8.1 78 528 A Y E -DE 69 142B 64 -9,-3.0 -9,-2.3 -2,-0.4 2,-0.5 -0.962 16.8-171.1-114.1 116.9 -29.2 15.6 8.4 79 529 A I E -DE 68 141B 0 62,-3.3 62,-2.5 -2,-0.6 2,-0.4 -0.927 7.2-175.2-115.6 125.1 -27.8 13.8 5.3 80 530 A S E -DE 67 140B 18 -13,-2.6 -13,-2.2 -2,-0.5 2,-0.4 -0.925 22.0-163.2-130.3 148.2 -24.3 12.6 5.3 81 531 A V E -DE 66 139B 2 58,-2.5 58,-2.5 -2,-0.4 2,-0.4 -0.983 18.2-170.5-125.6 115.1 -21.8 10.9 3.0 82 532 A K E -DE 65 138B 99 -17,-2.7 -17,-2.3 -2,-0.4 2,-0.3 -0.873 4.9-179.5-109.1 138.8 -18.7 9.4 4.7 83 533 A D - 0 0 13 54,-2.6 54,-0.4 -2,-0.4 -19,-0.2 -0.832 31.6-137.8-127.9 168.5 -15.6 8.1 2.9 84 534 A E + 0 0 85 -21,-0.3 52,-0.2 -2,-0.3 -20,-0.1 -0.136 65.7 123.8-114.2 32.8 -12.3 6.5 4.0 85 535 A G S S- 0 0 3 52,-0.2 -27,-0.2 -27,-0.1 -31,-0.1 0.211 80.8 -59.5 -88.1-159.8 -10.2 8.5 1.6 86 536 A I S S- 0 0 110 -29,-1.9 48,-3.3 1,-0.1 49,-0.2 0.692 72.0-151.0 -61.1 -23.2 -7.3 10.8 1.7 87 537 A G - 0 0 11 46,-0.3 46,-0.2 -30,-0.2 50,-0.2 -0.190 17.3 -79.2 78.0-174.6 -9.1 13.3 4.0 88 538 A I - 0 0 22 48,-0.3 45,-0.4 15,-0.0 5,-0.1 -0.994 39.6-104.7-134.3 131.4 -8.6 17.1 4.2 89 539 A P >> - 0 0 24 0, 0.0 3,-1.5 0, 0.0 4,-1.0 -0.254 34.6-118.5 -53.2 140.0 -5.9 19.1 6.0 90 540 A K T 34 S+ 0 0 183 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.820 112.3 52.1 -50.8 -42.7 -7.2 20.7 9.2 91 541 A K T 34 S+ 0 0 178 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.715 113.1 45.7 -69.4 -20.4 -6.5 24.3 8.0 92 542 A D T X> S+ 0 0 23 -3,-1.5 3,-2.6 1,-0.1 4,-1.1 0.570 80.0 99.5 -98.3 -13.8 -8.5 23.7 4.7 93 543 A V T 3< S+ 0 0 31 -4,-1.0 36,-0.2 -3,-0.4 -1,-0.1 0.767 91.4 37.6 -51.8 -34.4 -11.6 21.9 6.1 94 544 A E T 34 S+ 0 0 164 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.287 110.1 61.8-105.2 12.8 -13.8 25.0 6.0 95 545 A K T X4 S+ 0 0 97 -3,-2.6 3,-2.3 1,-0.1 -2,-0.2 0.554 78.8 88.4 -96.0 -15.3 -12.3 26.4 2.8 96 546 A V T 3< S+ 0 0 17 -4,-1.1 17,-0.3 1,-0.3 18,-0.2 0.706 85.2 52.2 -66.0 -19.5 -13.5 23.4 0.7 97 547 A F T 3 S+ 0 0 14 -4,-0.1 -1,-0.3 16,-0.1 20,-0.1 0.506 85.1 111.1 -87.6 -5.1 -16.9 24.9 -0.1 98 548 A D S X S- 0 0 65 -3,-2.3 3,-1.6 1,-0.1 16,-0.2 -0.407 84.5 -89.9 -72.9 145.2 -15.4 28.2 -1.3 99 549 A R T 3 S- 0 0 173 1,-0.3 12,-0.2 15,-0.1 -1,-0.1 -0.357 108.0 -2.4 -56.1 126.3 -15.7 28.9 -5.1 100 550 A F T 3 S+ 0 0 114 10,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.311 93.7 145.3 75.8 -2.3 -12.7 27.6 -7.0 101 551 A Y < + 0 0 62 -3,-1.6 2,-0.3 9,-0.5 -1,-0.2 -0.497 18.6 170.4 -72.7 123.8 -10.9 26.3 -3.8 102 552 A R - 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