==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-05 1Z0W . COMPND 2 MOLECULE: PUTATIVE PROTEASE LA HOMOLOG TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR I.BOTOS,E.E.MELNIKOV,S.CHERRY,S.KOZLOV,O.V.MAKHOVSKAYA, . 203 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.8 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 . 2 1.0 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0 0 0 0 1 0 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 3 3 0 0 0 0 1 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 2 0 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 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 1 416 A Y 0 0 258 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 10.8 34.0 15.0 2 417 A K - 0 0 112 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.902 360.0-142.5-122.1 161.6 7.6 33.1 13.3 3 418 A L S S+ 0 0 70 -2,-0.3 2,-0.3 79,-0.1 -1,-0.1 0.515 86.0 60.5 -96.0 -6.1 6.6 30.3 11.0 4 419 A F S S- 0 0 45 138,-0.1 2,-0.4 11,-0.0 -2,-0.1 -0.868 73.5-137.9-115.4 153.2 4.3 32.5 8.9 5 420 A I - 0 0 57 -2,-0.3 3,-0.1 1,-0.1 10,-0.1 -0.869 13.0-164.6 -96.0 139.4 5.1 35.7 6.9 6 421 A T + 0 0 33 -2,-0.4 2,-0.3 1,-0.1 139,-0.3 0.500 64.7 30.8-112.4 1.1 2.5 38.4 7.2 7 422 A E S S+ 0 0 156 105,-0.1 -1,-0.1 137,-0.1 2,-0.1 -0.981 89.8 43.0-153.9 153.2 3.2 40.8 4.4 8 423 A G S S- 0 0 32 -2,-0.3 104,-3.2 -3,-0.1 105,-0.4 -0.389 79.4 -76.0 100.1 176.4 4.6 40.5 0.9 9 424 A Y E +A 111 0A 94 102,-0.2 2,-0.4 103,-0.1 102,-0.2 -0.974 42.3 175.6-126.1 129.9 4.0 38.1 -1.9 10 425 A E E > -A 110 0A 102 100,-2.1 100,-2.5 -2,-0.4 3,-0.9 -0.997 30.4-117.3-136.7 138.4 5.5 34.6 -2.2 11 426 A V T 3 S+ 0 0 74 -2,-0.4 93,-0.1 98,-0.3 3,-0.1 -0.535 94.6 2.7 -73.0 133.5 5.0 31.8 -4.8 12 427 A G T 3 S+ 0 0 1 96,-0.5 20,-2.5 -2,-0.3 2,-0.4 0.546 102.3 110.1 78.0 8.8 3.5 28.6 -3.4 13 428 A R E < +C 31 0B 43 -3,-0.9 2,-0.4 18,-0.2 -3,-0.3 -0.972 38.1 174.8-126.0 128.9 2.9 29.8 0.1 14 429 A V E -C 30 0B 0 16,-2.2 16,-2.6 -2,-0.4 2,-1.3 -0.999 31.5-130.2-134.6 137.3 -0.5 30.4 1.7 15 430 A N E +Cd 29 115B 1 99,-0.5 101,-1.6 -2,-0.4 2,-0.1 -0.685 39.0 177.6 -83.9 89.3 -1.6 31.4 5.2 16 431 A G E -Cd 28 116B 0 -2,-1.3 12,-2.4 12,-1.1 2,-0.3 -0.349 20.1-130.9 -79.4 174.8 -4.4 28.9 5.9 17 432 A L E +C 27 0B 5 99,-1.0 74,-0.4 10,-0.3 2,-0.3 -0.967 28.5 163.5-131.5 143.7 -6.3 28.5 9.1 18 433 A A E -C 26 0B 0 8,-2.4 8,-2.4 -2,-0.3 2,-0.4 -0.824 30.4-111.7-144.8-178.2 -7.1 25.5 11.2 19 434 A V E -CE 25 89B 6 70,-1.9 70,-3.2 6,-0.3 2,-0.4 -0.926 16.2-158.2-121.3 149.1 -8.2 24.5 14.6 20 435 A I E > S-CE 24 88B 49 4,-3.0 4,-1.1 -2,-0.4 3,-0.5 -0.952 70.6 -5.8-123.3 146.5 -6.3 22.6 17.4 21 436 A G T 4 S- 0 0 58 66,-1.0 -2,-0.1 -2,-0.4 68,-0.0 -0.400 121.2 -48.7 63.7-145.4 -8.2 20.8 20.1 22 437 A E T 4 S+ 0 0 189 -2,-0.1 -1,-0.2 -3,-0.0 109,-0.0 0.877 130.6 2.2 -85.0 -32.9 -11.9 21.4 19.8 23 438 A S T 4 S+ 0 0 66 -3,-0.5 -2,-0.2 2,-0.1 2,-0.1 0.661 88.6 109.9-133.3 -32.4 -11.9 25.1 19.4 24 439 A A E < -C 20 0B 51 -4,-1.1 -4,-3.0 -5,-0.1 2,-0.2 -0.360 55.7-136.7 -70.9 135.7 -8.6 27.0 19.4 25 440 A G E -C 19 0B 21 109,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.549 21.4-176.6 -86.7 155.3 -7.6 28.6 16.0 26 441 A I E -C 18 0B 17 -8,-2.4 -8,-2.4 -2,-0.2 2,-0.5 -0.986 31.6-116.4-142.1 151.3 -4.2 28.5 14.5 27 442 A V E -C 17 0B 11 -2,-0.3 -10,-0.3 -10,-0.2 -12,-0.0 -0.826 31.9-169.5 -81.2 128.2 -2.5 29.9 11.4 28 443 A L E -C 16 0B 11 -12,-2.4 -12,-1.1 -2,-0.5 55,-0.1 -0.861 7.2-156.6-122.8 88.0 -1.4 26.9 9.3 29 444 A P E -C 15 0B 1 0, 0.0 53,-2.7 0, 0.0 2,-0.4 -0.409 5.0-154.6 -68.1 144.3 0.8 28.0 6.5 30 445 A I E -CF 14 81B 0 -16,-2.6 -16,-2.2 51,-0.2 2,-0.4 -0.955 7.2-166.7-115.8 136.6 1.0 25.7 3.4 31 446 A I E -CF 13 80B 48 49,-2.4 49,-2.8 -2,-0.4 2,-0.4 -0.995 11.8-172.7-121.1 129.9 4.0 25.5 1.1 32 447 A A E - F 0 79B 8 -20,-2.5 2,-0.3 -2,-0.4 47,-0.2 -0.941 9.3-179.0-121.9 148.5 3.5 23.7 -2.3 33 448 A E E - F 0 78B 109 45,-2.0 45,-3.0 -2,-0.4 2,-0.4 -0.989 11.2-154.7-138.8 147.4 5.9 22.7 -5.0 34 449 A V E + F 0 77B 26 -2,-0.3 43,-0.2 43,-0.2 -2,-0.0 -0.939 15.8 176.1-121.5 142.9 5.2 21.0 -8.3 35 450 A T E - F 0 76B 44 41,-2.2 41,-2.6 -2,-0.4 -2,-0.0 -0.955 40.2 -91.6-136.1 157.0 7.8 18.9 -10.2 36 451 A P E - F 0 75B 92 0, 0.0 39,-0.2 0, 0.0 36,-0.0 -0.364 38.2-123.6 -62.8 154.3 7.8 16.8 -13.4 37 452 A S 0 0 28 37,-1.7 38,-0.1 4,-0.1 40,-0.0 0.571 360.0 360.0 -84.4 0.6 7.1 13.2 -12.4 38 453 A M 0 0 208 36,-0.2 -1,-0.0 38,-0.0 -3,-0.0 0.511 360.0 360.0 62.0 360.0 10.3 12.1 -14.1 39 ! 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 40 457 A E 0 0 184 0, 0.0 34,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 146.4 2.3 9.1 -13.3 41 458 A G - 0 0 23 32,-2.2 2,-0.3 35,-0.1 35,-0.3 -0.356 360.0-144.0 -76.8 159.3 2.6 12.0 -10.9 42 459 A R - 0 0 160 32,-0.1 35,-2.7 -2,-0.0 2,-0.6 -0.874 15.1-126.6-118.1 151.6 2.2 11.6 -7.1 43 460 A V E -g 77 0B 46 -2,-0.3 2,-0.6 33,-0.2 35,-0.2 -0.922 33.9-159.7 -92.0 117.5 0.7 13.8 -4.3 44 461 A I E +g 78 0B 41 33,-3.2 35,-2.4 -2,-0.6 2,-0.3 -0.934 30.8 134.6-110.5 109.5 3.6 13.8 -1.8 45 462 A A - 0 0 22 -2,-0.6 2,-0.3 33,-0.2 35,-0.1 -0.976 27.6-166.7-150.3 151.1 2.6 14.7 1.7 46 463 A T + 0 0 119 33,-0.4 3,-0.3 -2,-0.3 35,-0.2 -0.873 41.1 40.4-136.3 173.0 3.3 13.3 5.2 47 464 A G S > S- 0 0 40 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.251 101.0 -39.8 86.5-171.4 2.0 13.6 8.7 48 465 A R T 3 S+ 0 0 182 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.723 132.8 49.8 -66.8 -23.9 -1.4 13.8 10.3 49 466 A L T 3> S+ 0 0 21 -3,-0.3 4,-1.9 1,-0.2 3,-0.4 0.226 72.6 111.4-100.4 11.0 -2.9 16.1 7.6 50 467 A Q H <> S+ 0 0 63 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.857 74.8 56.3 -61.8 -29.9 -1.8 14.1 4.6 51 468 A E H > S+ 0 0 99 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.894 105.8 49.7 -69.0 -40.2 -5.4 13.1 3.7 52 469 A I H > S+ 0 0 23 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.877 109.7 53.3 -60.4 -38.4 -6.6 16.8 3.6 53 470 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.936 109.3 47.8 -61.7 -45.4 -3.6 17.4 1.3 54 471 A R H X S+ 0 0 81 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.918 112.3 49.3 -61.2 -45.6 -4.7 14.6 -1.0 55 472 A E H X S+ 0 0 55 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.929 113.8 45.8 -58.3 -50.0 -8.3 15.8 -1.0 56 473 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.906 114.7 45.9 -61.8 -44.2 -7.3 19.4 -1.9 57 474 A V H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.931 113.8 48.1 -70.2 -42.1 -4.8 18.4 -4.5 58 475 A M H X S+ 0 0 125 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.924 115.0 46.7 -63.1 -42.9 -7.2 16.0 -6.2 59 476 A N H X S+ 0 0 37 -4,-2.5 4,-1.2 -5,-0.3 3,-0.3 0.931 113.6 46.2 -67.6 -42.7 -10.1 18.5 -6.2 60 477 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.861 105.4 62.7 -68.8 -30.6 -8.0 21.4 -7.5 61 478 A S H X S+ 0 0 16 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.884 98.0 56.4 -59.7 -38.3 -6.6 19.1 -10.2 62 479 A A H X S+ 0 0 34 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.934 112.1 41.3 -57.2 -47.5 -10.1 18.7 -11.6 63 480 A I H X>S+ 0 0 1 -4,-1.2 4,-2.6 1,-0.2 5,-0.5 0.874 113.7 52.9 -71.6 -36.9 -10.5 22.4 -12.0 64 481 A I H X>S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 5,-1.3 0.935 114.0 42.5 -61.9 -46.7 -6.9 22.9 -13.3 65 482 A K H X5S+ 0 0 105 -4,-2.8 4,-0.6 4,-0.2 -2,-0.2 0.941 118.6 44.8 -64.4 -48.6 -7.4 20.2 -16.0 66 483 A K H <5S+ 0 0 140 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.926 128.2 21.1 -65.6 -47.5 -10.8 21.4 -17.0 67 484 A Y H <5S+ 0 0 35 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.658 134.1 27.3-103.5 -21.8 -10.3 25.1 -17.1 68 485 A T H < + 0 0 90 -2,-0.2 3,-1.8 1,-0.2 -1,-0.1 -0.441 47.8 157.9 -84.2 69.1 -1.2 18.5 -17.2 72 489 A I G > + 0 0 4 -2,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.773 63.4 71.8 -73.3 -21.0 -1.1 18.2 -13.5 73 490 A S G 3 S+ 0 0 49 1,-0.3 -32,-2.2 -3,-0.2 -1,-0.3 0.708 97.4 51.7 -62.4 -20.4 -1.5 14.4 -13.7 74 491 A N G < S+ 0 0 79 -3,-1.8 -37,-1.7 -34,-0.2 2,-0.4 0.100 100.4 84.2-102.8 22.4 2.1 14.3 -15.0 75 492 A M E < S-F 36 0B 35 -3,-1.7 2,-0.5 -39,-0.2 -38,-0.0 -0.927 74.7-129.6-117.7 148.6 3.4 16.3 -12.1 76 493 A D E -F 35 0B 21 -41,-2.6 -41,-2.2 -2,-0.4 2,-0.6 -0.845 25.3-154.2 -88.9 135.2 4.5 15.5 -8.6 77 494 A V E -Fg 34 43B 3 -35,-2.7 -33,-3.2 -2,-0.5 2,-0.5 -0.956 6.1-162.9-116.6 111.6 2.7 17.8 -6.1 78 495 A H E -Fg 33 44B 73 -45,-3.0 -45,-2.0 -2,-0.6 2,-0.5 -0.886 4.3-168.6 -98.8 122.9 4.5 18.3 -2.8 79 496 A I E -F 32 0B 10 -35,-2.4 -33,-0.4 -2,-0.5 2,-0.4 -0.972 2.9-173.4-115.4 124.5 2.5 19.7 0.1 80 497 A Q E -F 31 0B 114 -49,-2.8 -49,-2.4 -2,-0.5 2,-0.5 -0.963 12.9-152.3-117.7 132.3 4.1 20.9 3.3 81 498 A F E -F 30 0B 39 -2,-0.4 2,-0.7 -51,-0.2 -51,-0.2 -0.898 17.9-140.1-101.0 125.2 2.3 22.1 6.4 82 499 A V S S+ 0 0 16 -53,-2.7 -79,-0.1 -2,-0.5 2,-0.0 -0.793 72.2 30.5 -90.1 117.2 4.4 24.6 8.4 83 500 A G S S- 0 0 21 -2,-0.7 2,-0.6 -55,-0.1 -2,-0.0 0.145 75.4-127.8 107.5 132.5 4.1 24.0 12.1 84 501 A T + 0 0 143 -2,-0.0 2,-0.5 -37,-0.0 -1,-0.0 -0.897 35.2 162.8-121.0 116.1 3.7 20.6 13.8 85 502 A Y > - 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0 0 3 -5,-1.2 -96,-0.5 -6,-0.2 -1,-0.2 -0.957 50.5-125.4-112.3 118.0 2.2 33.7 -9.5 109 526 A P - 0 0 19 0, 0.0 75,-2.5 0, 0.0 2,-0.4 -0.267 15.9-131.8 -72.0 157.2 2.8 34.8 -5.9 110 527 A V E -AB 10 183A 0 -100,-2.5 -100,-2.1 73,-0.2 2,-0.5 -0.834 23.1-109.5-106.5 137.1 0.3 34.9 -3.1 111 528 A D E > -A 9 0A 13 71,-2.6 3,-1.3 -2,-0.4 -96,-0.3 -0.558 23.1-158.6 -65.3 115.5 -0.4 37.8 -0.8 112 529 A Q T 3 S+ 0 0 0 -104,-3.2 -1,-0.2 -2,-0.5 -103,-0.1 0.618 85.3 70.4 -76.6 -10.7 0.9 36.7 2.7 113 530 A S T 3 S+ 0 0 12 -105,-0.4 32,-1.9 31,-0.1 33,-1.8 0.516 87.2 77.6 -82.6 -4.0 -1.3 39.3 4.4 114 531 A V E < - h 0 146B 1 -3,-1.3 -99,-0.5 31,-0.2 33,-0.2 -0.933 62.8-167.6-111.7 118.1 -4.4 37.4 3.5 115 532 A A E -dh 15 147B 0 31,-2.8 33,-2.7 -2,-0.6 2,-0.3 -0.546 10.9-165.4 -89.2 164.0 -5.4 34.3 5.5 116 533 A M E -dh 16 148B 0 -101,-1.6 -99,-1.0 31,-0.2 2,-0.3 -0.998 16.6-176.6-152.2 153.8 -8.1 31.9 4.3 117 534 A T + 0 0 0 31,-2.0 2,-0.2 -2,-0.3 12,-0.1 -0.979 34.0 94.7-144.6 150.1 -10.3 29.0 5.3 118 535 A G - 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