==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAR-09 3A0S . COMPND 2 MOLECULE: SENSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA,Y.SHIRO . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 69.8 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 . 32 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 2 0 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 . 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 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 1 423 A M 0 0 75 0, 0.0 95,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 173.2 13.8 12.9 30.2 2 424 A E + 0 0 121 93,-0.2 93,-0.2 1,-0.1 18,-0.0 -0.989 360.0 32.2-149.9 156.8 15.7 11.1 32.9 3 425 A T + 0 0 51 -2,-0.3 2,-0.6 1,-0.2 17,-0.3 0.865 52.3 167.2 67.6 44.1 15.9 10.7 36.6 4 426 A A E -A 94 0A 0 90,-2.3 90,-2.7 16,-0.2 2,-0.5 -0.804 24.2-162.0 -76.5 125.3 12.3 11.2 37.8 5 427 A I E +A 93 0A 43 -2,-0.6 13,-1.9 88,-0.2 2,-0.4 -0.967 23.8 174.7-121.4 128.5 12.6 9.9 41.4 6 428 A I E -AB 92 17A 0 86,-2.4 86,-3.0 -2,-0.5 2,-0.4 -0.999 13.8-164.6-125.0 121.8 9.9 8.8 43.7 7 429 A T E -AB 91 16A 3 9,-2.1 8,-3.0 -2,-0.4 9,-1.4 -0.931 4.4-161.6-109.9 136.6 11.1 7.4 47.1 8 430 A L E -AB 90 14A 8 82,-2.9 82,-1.8 -2,-0.4 6,-0.2 -0.892 12.7-130.8-116.1 144.3 8.7 5.4 49.3 9 431 A S E > -A 89 0A 23 4,-2.3 3,-2.3 -2,-0.4 80,-0.3 -0.287 42.6 -91.7 -76.1 175.8 8.9 4.6 53.0 10 432 A K T 3 S+ 0 0 83 78,-1.0 79,-0.2 1,-0.3 -1,-0.1 0.660 130.5 55.0 -68.7 -11.0 8.4 1.0 54.2 11 433 A D T 3 S- 0 0 110 77,-0.2 -1,-0.3 2,-0.1 78,-0.1 0.334 124.0-103.7 -99.0 7.3 4.7 2.0 54.6 12 434 A G S < S+ 0 0 16 -3,-2.3 25,-2.1 1,-0.3 26,-0.3 0.568 72.6 144.9 87.2 8.9 4.4 3.0 51.0 13 435 A R B -E 36 0B 101 23,-0.2 -4,-2.3 24,-0.1 2,-0.5 -0.639 56.1-111.7 -87.1 142.7 4.5 6.8 51.7 14 436 A I E +B 8 0A 2 21,-2.9 20,-3.1 18,-0.4 -6,-0.2 -0.509 42.9 162.6 -75.7 118.7 6.1 9.2 49.4 15 437 A T E + 0 0 67 -8,-3.0 2,-0.3 -2,-0.5 -7,-0.2 0.607 67.4 30.3-111.1 -17.0 9.2 10.7 51.1 16 438 A E E +B 7 0A 104 -9,-1.4 -9,-2.1 2,-0.0 -1,-0.3 -0.993 52.7 165.2-140.8 143.6 10.9 12.1 48.0 17 439 A W E -B 6 0A 2 -2,-0.3 -11,-0.2 -11,-0.2 12,-0.2 -0.776 26.5-154.5-157.9 100.3 9.5 13.5 44.7 18 440 A N > - 0 0 47 -13,-1.9 4,-2.2 -2,-0.2 3,-0.2 -0.095 31.6 -97.0 -85.4 177.6 12.0 15.4 42.7 19 441 A K H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.849 122.9 56.4 -63.4 -30.9 11.6 18.1 40.1 20 442 A K H > S+ 0 0 74 -17,-0.3 4,-2.5 2,-0.2 -16,-0.2 0.886 106.6 50.2 -65.9 -39.0 11.9 15.6 37.2 21 443 A A H > S+ 0 0 0 -18,-0.3 4,-2.8 -16,-0.2 6,-0.4 0.906 109.0 52.4 -65.5 -37.1 8.9 13.7 38.7 22 444 A E H X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.924 113.5 43.7 -59.4 -46.1 7.0 17.0 38.9 23 445 A Q H < S+ 0 0 142 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.879 117.7 44.4 -68.5 -37.8 7.7 17.7 35.2 24 446 A L H < S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 127.6 25.8 -75.6 -42.7 6.9 14.1 34.1 25 447 A F H < S- 0 0 37 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.603 95.3-127.2-104.9 -13.3 3.8 13.7 36.1 26 448 A G < + 0 0 65 -4,-2.0 2,-0.4 -5,-0.4 -4,-0.2 0.705 68.9 119.8 75.1 20.8 2.5 17.2 36.6 27 449 A L - 0 0 65 -6,-0.4 -1,-0.3 -5,-0.2 2,-0.2 -0.968 60.9-128.0-117.4 133.4 2.1 16.9 40.4 28 450 A K >> - 0 0 121 -2,-0.4 3,-1.2 1,-0.1 4,-0.7 -0.534 20.2-120.8 -77.0 146.5 4.1 19.2 42.8 29 451 A K H >> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 3,-1.4 0.886 112.9 55.8 -50.0 -44.3 6.1 17.6 45.6 30 452 A E H 34 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.759 103.5 56.5 -67.5 -20.2 4.1 19.4 48.3 31 453 A N H <4 S+ 0 0 98 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.657 119.8 26.7 -83.9 -13.3 0.9 17.9 46.9 32 454 A V H X< S+ 0 0 4 -3,-1.4 3,-2.3 -4,-0.7 -18,-0.4 0.584 85.3 118.8-121.6 -19.2 2.1 14.3 47.2 33 455 A L T 3< S+ 0 0 81 -4,-2.6 -18,-0.2 1,-0.3 3,-0.1 -0.256 84.4 15.1 -57.6 135.0 4.6 14.1 50.0 34 456 A G T 3 S+ 0 0 39 -20,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.228 101.6 115.2 89.2 -14.0 3.5 11.9 52.9 35 457 A R S < S- 0 0 145 -3,-2.3 -21,-2.9 -21,-0.2 2,-0.4 -0.533 75.9-100.6 -90.9 155.7 0.7 10.2 50.8 36 458 A R B > -E 13 0B 67 -23,-0.2 3,-1.8 -2,-0.2 4,-0.3 -0.614 24.5-143.0 -72.2 127.5 0.6 6.6 49.8 37 459 A L G > S+ 0 0 1 -25,-2.1 3,-2.0 -2,-0.4 6,-0.2 0.878 99.8 61.5 -54.9 -39.8 1.7 6.2 46.2 38 460 A K G 3 S+ 0 0 89 -26,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.632 93.3 65.6 -67.3 -14.5 -0.8 3.5 45.6 39 461 A D G < S+ 0 0 105 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.597 82.4 92.6 -80.0 -10.4 -3.6 6.0 46.4 40 462 A L S X S- 0 0 26 -3,-2.0 3,-2.5 -4,-0.3 4,-0.4 -0.761 87.2-116.8 -89.9 121.1 -2.7 8.1 43.4 41 463 A P T 3 S+ 0 0 91 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.335 102.9 23.3 -52.6 126.6 -4.8 7.1 40.3 42 464 A D T 3 S+ 0 0 114 -4,-0.1 4,-0.3 -2,-0.0 3,-0.1 0.139 112.7 71.7 102.8 -19.2 -2.3 5.7 37.7 43 465 A F <> + 0 0 7 -3,-2.5 4,-2.7 -6,-0.2 5,-0.2 0.335 64.0 99.9-106.7 5.2 0.3 4.7 40.2 44 466 A E H > S+ 0 0 98 -4,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.893 86.1 44.7 -58.8 -45.1 -1.5 1.8 41.7 45 467 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.933 113.5 48.0 -67.6 -47.8 0.5 -0.7 39.7 46 468 A I H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.910 112.0 52.7 -56.3 -40.0 3.9 0.9 40.3 47 469 A G H X S+ 0 0 4 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.897 108.7 49.7 -63.0 -41.5 2.9 1.0 44.0 48 470 A S H X S+ 0 0 68 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.917 109.4 50.0 -65.3 -42.3 2.2 -2.7 43.9 49 471 A V H X S+ 0 0 38 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.908 108.6 53.7 -62.0 -40.3 5.5 -3.6 42.2 50 472 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 106.9 52.3 -62.2 -38.6 7.3 -1.5 44.9 51 473 A E H X S+ 0 0 81 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.917 110.5 47.4 -60.6 -46.3 5.6 -3.5 47.6 52 474 A S H X S+ 0 0 62 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.911 111.3 50.5 -62.1 -42.9 6.7 -6.8 46.0 53 475 A V H X>S+ 0 0 2 -4,-2.7 5,-1.1 2,-0.2 4,-0.8 0.904 111.0 49.3 -59.8 -45.1 10.3 -5.5 45.7 54 476 A F H ><5S+ 0 0 51 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.968 111.4 48.2 -60.4 -51.8 10.4 -4.5 49.3 55 477 A E H 3<5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.815 115.7 44.5 -58.8 -34.8 9.0 -7.9 50.5 56 478 A N H 3<5S- 0 0 109 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.525 98.6-139.1 -89.0 -4.7 11.6 -9.7 48.4 57 479 A K T <<5 + 0 0 127 -3,-1.2 -3,-0.2 -4,-0.8 -4,-0.1 0.745 66.0 112.2 54.4 26.8 14.5 -7.4 49.4 58 480 A E < - 0 0 130 -5,-1.1 -2,-0.2 19,-0.0 -1,-0.2 -0.994 68.9-116.6-131.1 136.5 15.7 -7.5 45.8 59 481 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 18,-0.2 -0.294 26.3-155.9 -68.7 156.6 15.8 -4.7 43.2 60 482 A V E -C 76 0A 52 16,-1.9 16,-2.7 2,-0.0 2,-0.5 -0.999 5.9-159.8-134.5 134.0 13.8 -4.9 40.0 61 483 A F E -C 75 0A 112 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.971 10.9-173.4-113.6 125.3 14.4 -3.3 36.6 62 484 A L E -C 74 0A 54 12,-3.2 12,-3.1 -2,-0.5 2,-0.3 -0.949 1.5-168.7-113.2 136.3 11.5 -3.0 34.2 63 485 A N E + 0 0 90 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.809 67.0 28.7-113.8 167.5 11.8 -1.7 30.7 64 486 A F E S+ 0 0 147 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.903 70.9 162.9 50.5 46.4 9.1 -0.8 28.2 65 487 A Y E -C 72 0A 35 7,-2.7 7,-1.9 -3,-0.2 2,-0.4 -0.880 33.7-138.0 -88.0 115.1 6.7 0.3 31.0 66 488 A K E +C 71 0A 118 -2,-0.7 2,-0.4 5,-0.2 5,-0.2 -0.631 31.4 167.0 -84.0 130.2 4.1 2.3 29.2 67 489 A F E > -C 70 0A 41 3,-2.4 3,-1.6 -2,-0.4 2,-0.2 -0.969 64.3 -37.5-141.4 119.7 2.9 5.5 30.9 68 490 A G T 3 S- 0 0 67 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.490 125.2 -20.3 64.9-126.8 0.9 8.1 28.8 69 491 A E T 3 S+ 0 0 185 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.363 124.8 60.7 -93.9 -0.6 2.3 8.2 25.3 70 492 A R E < S-C 67 0A 110 -3,-1.6 -3,-2.4 -5,-0.1 2,-0.4 -0.832 72.1-118.6-131.5 164.3 5.8 6.8 26.0 71 493 A Y E -C 66 0A 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.869 34.9-170.0-100.9 140.2 7.8 3.7 27.2 72 494 A F E -C 65 0A 7 -7,-1.9 -7,-2.7 -2,-0.4 2,-0.4 -0.918 26.1-125.6-127.8 151.3 10.0 4.1 30.2 73 495 A N E - D 0 95A 52 22,-2.9 22,-2.3 -2,-0.3 2,-0.4 -0.779 31.4-168.7 -82.2 136.1 12.7 2.2 32.1 74 496 A I E -CD 62 94A 2 -12,-3.1 -12,-3.2 -2,-0.4 2,-0.4 -0.985 5.4-168.1-130.4 125.9 11.7 1.9 35.8 75 497 A R E -CD 61 93A 115 18,-2.6 18,-2.3 -2,-0.4 2,-0.5 -0.925 4.1-162.1-111.3 139.8 14.1 0.7 38.5 76 498 A F E -CD 60 92A 0 -16,-2.7 -16,-1.9 -2,-0.4 16,-0.2 -0.983 11.0-177.0-119.4 120.7 12.9 -0.2 42.0 77 499 A S E - D 0 91A 29 14,-2.8 14,-2.5 -2,-0.5 -23,-0.1 -0.919 15.9-148.4-126.0 110.4 15.6 -0.3 44.7 78 500 A P E - D 0 90A 28 0, 0.0 2,-0.3 0, 0.0 12,-0.3 -0.379 24.4-168.4 -67.3 147.7 15.0 -1.3 48.3 79 501 A F E - D 0 89A 64 10,-2.0 9,-2.6 -2,-0.0 10,-1.0 -0.972 14.2-142.6-139.2 157.3 17.3 0.5 50.8 80 502 A R E - D 0 87A 118 -2,-0.3 2,-0.4 7,-0.3 7,-0.2 -0.835 27.2-110.1-109.9 154.0 18.3 0.2 54.5 81 503 A N > - 0 0 66 5,-2.4 4,-2.1 -2,-0.3 5,-0.1 -0.699 25.5-141.7 -75.7 133.5 19.0 2.9 57.0 82 504 A A T 4 S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.834 96.8 45.9 -70.0 -30.8 22.8 2.8 57.7 83 505 A K T 4 S+ 0 0 194 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.852 126.5 25.2 -80.0 -39.9 22.3 3.5 61.4 84 506 A T T 4 S- 0 0 79 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.614 90.3-138.0-100.6 -16.6 19.5 1.1 62.3 85 507 A Q < + 0 0 116 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.486 55.0 142.1 66.4 9.0 20.1 -1.5 59.5 86 508 A L - 0 0 89 -5,-0.1 -5,-2.4 1,-0.1 2,-0.5 -0.519 64.5-107.7 -80.2 142.9 16.3 -1.6 58.9 87 509 A L E - D 0 80A 30 -7,-0.2 -7,-0.3 -2,-0.2 -1,-0.1 -0.607 43.0-179.9 -61.5 118.7 14.8 -1.9 55.5 88 510 A E E - 0 0 55 -9,-2.6 -78,-1.0 -2,-0.5 2,-0.3 0.490 42.4 -66.3-113.8 -5.1 13.4 1.6 55.1 89 511 A G E -AD 9 79A 0 -10,-1.0 -10,-2.0 -80,-0.3 2,-0.4 -0.995 51.4 -71.8 154.0-159.8 11.7 1.7 51.7 90 512 A V E -AD 8 78A 4 -82,-1.8 -82,-2.9 -2,-0.3 2,-0.5 -0.998 25.3-144.6-140.4 129.9 12.1 1.7 48.0 91 513 A I E -AD 7 77A 54 -14,-2.5 -14,-2.8 -2,-0.4 2,-0.5 -0.829 16.2-159.5 -94.2 128.0 13.6 4.2 45.5 92 514 A I E -AD 6 76A 0 -86,-3.0 -86,-2.4 -2,-0.5 2,-0.5 -0.960 7.1-171.7-112.0 124.1 11.8 4.3 42.2 93 515 A T E -AD 5 75A 12 -18,-2.3 -18,-2.6 -2,-0.5 2,-0.5 -0.983 3.1-165.1-121.8 125.6 13.8 5.9 39.2 94 516 A I E +AD 4 74A 3 -90,-2.7 -90,-2.3 -2,-0.5 2,-0.3 -0.935 12.5 171.4-118.2 125.7 12.0 6.5 35.9 95 517 A D E D 0 73A 35 -22,-2.3 -22,-2.9 -2,-0.5 -93,-0.2 -0.975 360.0 360.0-133.0 146.5 13.9 7.2 32.7 96 518 A D 0 0 87 -95,-2.5 -24,-0.2 -2,-0.3 -93,-0.1 -0.293 360.0 360.0 -67.2 360.0 13.0 7.5 29.0