==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-05 1Z0V . COMPND 2 MOLECULE: PUTATIVE PROTEASE LA HOMOLOG TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR Z.DAUTER,I.BOTOS,N.LARONDE-LEBLANC,A.WLODAWER . 1169 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 819 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 14.7 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 . 10 0.9 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 108 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.8 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 2 1 2 4 6 4 3 6 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 7 8 0 5 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 . 19 12 1 0 1 1 9 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 . 1 11 0 2 0 2 2 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 1 417 A K 0 0 74 0, 0.0 349,-0.1 0, 0.0 351,-0.1 0.000 360.0 360.0 360.0 156.0 24.4 -28.1 32.5 2 418 A L + 0 0 28 347,-0.1 2,-0.3 321,-0.1 79,-0.1 0.224 360.0 41.6 -83.8 9.6 22.2 -25.1 31.4 3 419 A F S S- 0 0 49 345,-0.1 2,-0.4 24,-0.1 11,-0.1 -0.939 75.8-120.0-145.7 165.7 21.7 -26.4 27.7 4 420 A I - 0 0 39 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 -0.926 17.7-166.1-107.4 133.9 21.0 -29.6 25.7 5 421 A T + 0 0 34 -2,-0.4 139,-0.3 107,-0.1 2,-0.2 0.440 63.9 23.2-103.6 2.4 23.7 -30.7 23.1 6 422 A E S S+ 0 0 145 137,-0.1 107,-0.0 106,-0.1 137,-0.0 -0.900 91.0 41.5-152.7 177.0 21.9 -33.4 21.1 7 423 A G S S- 0 0 48 -2,-0.2 104,-2.2 103,-0.1 2,-0.2 -0.015 83.1 -79.9 64.3 179.3 18.4 -34.7 20.0 8 424 A Y B -A 110 0A 88 102,-0.2 2,-0.3 103,-0.1 102,-0.2 -0.822 40.3-175.5-128.4 166.1 15.5 -32.2 19.0 9 425 A E > - 0 0 84 100,-0.5 3,-1.1 -2,-0.2 100,-0.5 -0.918 32.4-108.7-168.1 115.9 13.0 -30.0 20.9 10 426 A V T 3 S- 0 0 76 -2,-0.3 93,-0.1 98,-0.2 89,-0.1 -0.321 100.6 -4.3 -50.5 126.3 10.1 -27.7 20.3 11 427 A G T 3 S+ 0 0 2 96,-0.5 20,-2.2 88,-0.3 2,-0.4 0.710 98.5 111.8 67.5 32.5 11.3 -24.0 21.1 12 428 A R E < +B 30 0B 30 -3,-1.1 2,-0.3 18,-0.2 -3,-0.2 -0.969 34.6 171.9-133.2 130.5 14.9 -24.4 22.3 13 429 A V E -B 29 0B 2 16,-0.8 16,-2.5 -2,-0.4 2,-0.8 -0.870 33.9-129.4-127.1 156.1 17.8 -23.1 20.3 14 430 A N E +Bc 28 114B 2 99,-0.5 101,-1.9 -2,-0.3 -11,-0.0 -0.878 39.6 177.2-107.4 93.2 21.4 -22.9 21.4 15 431 A G E -B 27 0B 0 12,-2.3 12,-1.0 -2,-0.8 2,-0.3 -0.006 20.3-119.6 -77.1-168.4 22.2 -19.4 20.5 16 432 A L E +B 26 0B 3 99,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.999 30.2 163.0-140.6 147.1 25.5 -17.6 21.2 17 433 A A E -B 25 0B 0 8,-2.8 8,-2.7 -2,-0.3 2,-0.3 -0.919 32.9-115.6-141.9 167.7 26.9 -14.6 23.2 18 434 A V E -BD 24 88B 23 70,-1.2 70,-1.8 -2,-0.3 2,-0.3 -0.750 25.9-138.0 -96.3 153.3 30.2 -13.1 24.6 19 435 A I E > - D 0 87B 63 4,-2.4 3,-0.9 -2,-0.3 4,-0.4 -0.912 63.0 -39.1-116.7 151.2 30.7 -12.7 28.5 20 436 A G T 3 S- 0 0 45 66,-1.1 68,-0.2 -2,-0.3 -2,-0.1 0.023 125.3 -21.2 15.8-119.7 32.3 -9.4 29.9 21 437 A E T 3 S- 0 0 185 -3,-0.1 -1,-0.2 1,-0.1 1048,-0.1 0.829 134.2 -12.3 -76.1 -29.8 35.1 -8.5 27.4 22 438 A S S < S+ 0 0 61 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.712 79.8 112.9-149.6 -41.4 35.8 -11.8 25.7 23 439 A A - 0 0 50 -4,-0.4 -4,-2.4 -5,-0.1 2,-0.2 -0.205 54.1-132.1 -53.5 137.1 34.6 -15.5 26.6 24 440 A G E +B 18 0B 10 109,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.584 33.5 174.1 -68.7 145.9 32.2 -17.1 24.2 25 441 A I E -B 17 0B 43 -8,-2.7 -8,-2.8 -2,-0.2 2,-0.3 -0.972 32.2-106.5-147.6 170.4 29.2 -18.7 25.8 26 442 A V E -B 16 0B 6 -2,-0.3 -10,-0.2 -10,-0.2 -24,-0.0 -0.660 20.3-158.5 -91.2 139.8 26.0 -20.5 24.9 27 443 A L E -B 15 0B 9 -12,-1.0 -12,-2.3 -2,-0.3 2,-0.2 -0.897 16.7-152.9-124.2 90.2 22.7 -18.7 25.4 28 444 A P E -B 14 0B 1 0, 0.0 53,-1.5 0, 0.0 2,-0.5 -0.491 10.2-154.2 -65.0 134.9 20.0 -21.3 25.6 29 445 A I E -BE 13 80B 0 -16,-2.5 -16,-0.8 -2,-0.2 2,-0.5 -0.971 20.1-179.6-121.1 129.5 16.4 -20.4 24.6 30 446 A I E +BE 12 79B 6 49,-1.7 49,-2.0 -2,-0.5 2,-0.4 -0.983 10.2 176.6-110.1 115.9 13.1 -21.6 25.4 31 447 A A E + E 0 78B 1 -20,-2.2 2,-0.2 -2,-0.5 47,-0.2 -0.995 6.6 175.0-112.6 132.8 10.3 -19.9 23.6 32 448 A E E - E 0 77B 13 45,-2.1 45,-2.2 -2,-0.4 2,-0.4 -0.744 14.5-142.4-126.8 157.4 6.7 -21.2 24.2 33 449 A V E + E 0 76B 27 -2,-0.2 43,-0.2 43,-0.2 41,-0.0 -0.990 15.6 175.1-146.1 140.4 3.2 -20.0 23.1 34 450 A T E - E 0 75B 27 41,-1.5 41,-1.5 -2,-0.4 70,-0.0 -0.971 40.2 -85.0-135.0 137.6 -0.4 -19.7 24.4 35 451 A P E - E 0 74B 114 0, 0.0 39,-0.2 0, 0.0 38,-0.0 -0.106 42.4-162.9 -28.4 132.9 -3.9 -18.3 23.5 36 452 A S 0 0 26 37,-1.1 38,-0.1 1,-0.2 37,-0.1 0.906 360.0 360.0 -94.4 -90.7 -4.4 -14.5 24.3 37 453 A M 0 0 211 36,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.996 360.0 360.0 124.4 360.0 -7.8 -12.6 24.5 38 ! 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 39 457 A E 0 0 159 0, 0.0 34,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 122.1 -4.0 -8.7 21.5 40 458 A G - 0 0 35 32,-2.3 35,-0.2 34,-0.3 2,-0.1 0.057 360.0-154.5 -94.5-177.8 -0.8 -10.1 23.1 41 459 A R - 0 0 127 35,-0.0 35,-2.2 2,-0.0 2,-0.4 -0.372 22.4-112.1-137.6-165.8 2.6 -9.4 24.6 42 460 A V E -f 76 0B 30 33,-0.2 2,-0.5 -2,-0.1 35,-0.2 -0.993 22.9-145.8-149.7 133.4 6.0 -11.0 25.2 43 461 A I E +f 77 0B 15 33,-2.0 35,-2.3 -2,-0.4 2,-0.3 -0.945 32.5 142.2-123.1 120.6 7.3 -12.1 28.5 44 462 A A - 0 0 1 -2,-0.5 2,-0.2 33,-0.1 35,-0.1 -0.985 18.2-176.7-157.2 139.2 11.0 -11.9 29.5 45 463 A T + 0 0 12 -2,-0.3 35,-0.3 33,-0.3 3,-0.3 -0.708 46.2 52.0-136.3 173.6 12.8 -11.0 32.7 46 464 A G S > S- 0 0 40 -2,-0.2 3,-1.0 1,-0.2 37,-0.0 -0.099 104.7 -48.8 75.4 177.8 16.5 -10.7 33.4 47 465 A R T 3 S+ 0 0 140 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.809 128.3 58.1 -60.7 -31.8 19.2 -8.6 31.6 48 466 A L T 3> + 0 0 18 -3,-0.3 4,-1.2 1,-0.2 -1,-0.3 -0.019 66.7 117.1 -95.5 33.7 18.4 -9.8 28.1 49 467 A Q H <> S+ 0 0 49 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.902 72.4 49.0 -75.0 -38.6 14.7 -8.7 27.9 50 468 A E H >> S+ 0 0 84 -3,-0.4 4,-3.3 1,-0.2 3,-0.9 0.973 107.0 56.2 -64.2 -52.4 14.9 -6.1 24.9 51 469 A I H 3> S+ 0 0 16 1,-0.3 4,-3.8 2,-0.2 -1,-0.2 0.849 108.1 49.7 -41.8 -45.5 16.8 -8.4 22.7 52 470 A A H 3X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.801 114.9 41.2 -70.1 -37.3 14.0 -10.9 23.1 53 471 A R H X S+ 0 0 48 -4,-1.4 3,-1.1 1,-0.3 4,-0.8 0.938 112.5 46.3 -70.2 -39.1 8.4 -8.4 17.1 58 476 A N T 3< S+ 0 0 2 -4,-2.4 4,-0.5 1,-0.2 -1,-0.3 0.697 106.9 60.2 -61.3 -26.1 10.7 -8.6 14.1 59 477 A V T 3> S+ 0 0 0 -4,-0.5 4,-1.6 -5,-0.3 -1,-0.2 0.484 97.6 60.9 -83.3 3.4 9.9 -12.3 13.8 60 478 A S H <> S+ 0 0 15 -3,-1.1 4,-3.1 -4,-0.5 5,-0.2 0.928 90.7 57.7 -91.1 -47.4 6.2 -11.8 13.2 61 479 A A H X S+ 0 0 35 -4,-0.8 4,-3.0 1,-0.2 5,-0.3 0.907 113.1 48.4 -51.3 -33.6 5.8 -9.8 10.1 62 480 A I H > S+ 0 0 6 -4,-0.5 4,-2.0 2,-0.2 5,-0.5 0.993 105.4 54.7 -72.1 -56.2 7.7 -12.7 8.8 63 481 A I H X S+ 0 0 7 -4,-1.6 4,-1.7 1,-0.2 6,-1.1 0.849 119.8 37.3 -34.7 -50.7 5.3 -15.3 10.4 64 482 A K H X S+ 0 0 49 -4,-3.1 4,-2.3 4,-0.3 -2,-0.2 0.992 109.7 53.3 -65.2 -74.5 2.5 -13.4 8.6 65 483 A K H < S+ 0 0 187 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.740 127.8 26.1 -38.6 -24.5 3.9 -12.4 5.2 66 484 A Y H < S+ 0 0 102 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.767 140.3 14.8-112.9 -30.2 4.8 -16.1 4.8 67 485 A T H < S- 0 0 25 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.147 88.6-127.9-130.4 15.2 2.5 -18.3 6.9 68 486 A G < + 0 0 63 -4,-2.3 2,-0.4 -6,-0.2 -4,-0.3 0.545 57.2 141.5 6.6 39.9 -0.3 -15.9 7.8 69 487 A R - 0 0 83 -6,-1.1 2,-0.7 -9,-0.1 -2,-0.2 -0.742 46.5-143.6 -79.3 140.7 -0.2 -16.5 11.5 70 488 A D > - 0 0 76 -2,-0.4 3,-1.0 1,-0.1 4,-0.1 -0.960 7.1-160.8 -98.4 116.8 -0.8 -13.2 13.2 71 489 A I G > S+ 0 0 14 -2,-0.7 3,-1.7 1,-0.2 -31,-0.2 0.619 82.4 88.8 -69.4 -13.6 1.5 -13.3 16.3 72 490 A S G 3 S+ 0 0 22 1,-0.3 -32,-2.3 -33,-0.1 -1,-0.2 0.810 84.8 47.6 -46.5 -40.2 -1.0 -10.5 17.3 73 491 A N G < S+ 0 0 91 -3,-1.0 -37,-1.1 -34,-0.2 2,-0.3 0.388 103.5 82.0 -96.7 0.9 -3.3 -13.1 18.8 74 492 A M E < -E 35 0B 34 -3,-1.7 2,-0.5 -39,-0.2 -34,-0.3 -0.765 66.4-144.3-104.7 167.4 -0.6 -14.8 20.7 75 493 A D E -E 34 0B 20 -41,-1.5 -41,-1.5 -2,-0.3 2,-0.3 -0.992 27.6-153.6-122.1 102.1 1.1 -14.2 24.0 76 494 A V E -Ef 33 42B 0 -35,-2.2 -33,-2.0 -2,-0.5 2,-0.5 -0.705 6.9-161.6 -92.5 138.1 4.8 -15.3 23.6 77 495 A H E +Ef 32 43B 7 -45,-2.2 -45,-2.1 -2,-0.3 2,-0.4 -0.962 13.6 172.2-126.6 118.3 6.9 -16.4 26.5 78 496 A I E +E 31 0B 0 -35,-2.3 2,-0.4 -2,-0.5 -33,-0.3 -0.945 3.1 173.0-128.8 140.3 10.6 -16.5 26.3 79 497 A Q E -E 30 0B 4 -49,-2.0 -49,-1.7 -2,-0.4 2,-0.6 -0.989 31.9-122.9-142.4 145.5 13.3 -17.1 28.9 80 498 A F E -E 29 0B 16 -2,-0.4 2,-1.6 -35,-0.3 208,-0.3 -0.732 30.6-126.8 -80.3 120.6 17.0 -17.5 28.9 81 499 A V S S+ 0 0 1 -53,-1.5 2,-0.3 -2,-0.6 244,-0.1 -0.656 79.3 15.8 -69.8 90.4 17.9 -20.8 30.4 82 500 A G S S- 0 0 12 -2,-1.6 2,-0.5 242,-0.2 206,-0.3 -0.844 97.1 -67.6 143.8-164.6 20.4 -19.8 33.0 83 501 A T - 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