==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-03 1QZM . COMPND 2 MOLECULE: ATP-DEPENDENT PROTEASE LA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.BOTOS,E.E.MELNIKOV,S.CHERRY,A.G.KHALATOVA,F.S.RASULOVA, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 46.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 491 A S 0 0 184 0, 0.0 3,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 164.4 13.3 5.4 -4.7 2 492 A G - 0 0 28 1,-0.2 48,-0.2 48,-0.0 47,-0.1 0.013 360.0 -83.2 -62.7 162.0 12.5 6.3 -1.1 3 493 A Y - 0 0 105 46,-2.4 -1,-0.2 4,-0.1 2,-0.1 -0.255 40.4-127.1 -58.9 146.3 11.5 4.1 1.7 4 494 A T > - 0 0 77 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.445 30.8-105.4 -76.5 172.5 7.9 3.2 2.0 5 495 A E H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 124.4 54.0 -65.9 -35.1 6.3 3.9 5.4 6 496 A D H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 108.7 50.3 -61.9 -41.3 6.4 0.2 6.2 7 497 A E H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.937 110.8 47.1 -58.6 -44.4 10.1 0.3 5.4 8 498 A K H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.862 109.9 54.6 -65.0 -34.8 10.8 3.2 7.7 9 499 A L H X S+ 0 0 16 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.891 108.2 48.4 -69.4 -36.2 8.8 1.6 10.4 10 500 A N H X S+ 0 0 79 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.876 112.4 47.9 -72.1 -35.1 10.8 -1.5 10.2 11 501 A I H X>S+ 0 0 34 -4,-2.2 4,-2.1 -5,-0.2 5,-2.0 0.898 113.3 48.7 -69.2 -37.4 14.1 0.5 10.3 12 502 A A H <>S+ 0 0 0 -4,-2.5 5,-3.3 3,-0.2 -2,-0.2 0.936 114.0 46.5 -66.7 -44.4 12.8 2.5 13.2 13 503 A K H <5S+ 0 0 92 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.901 120.3 36.1 -65.4 -41.1 11.7 -0.6 15.1 14 504 A R H <5S- 0 0 188 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.769 138.7 -1.1 -85.4 -26.8 14.9 -2.6 14.6 15 505 A H T X5S+ 0 0 104 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.771 120.2 54.6-127.0 -56.2 17.5 0.1 14.8 16 506 A L H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.958 115.0 49.3 -51.4 -46.9 16.8 0.7 20.2 19 509 A K H X S+ 0 0 101 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.937 114.1 43.6 -58.7 -47.1 19.8 3.0 19.4 20 510 A Q H X S+ 0 0 5 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.848 108.7 56.4 -74.0 -28.3 18.1 6.2 20.7 21 511 A I H <>S+ 0 0 22 -4,-2.4 5,-2.4 -5,-0.2 3,-0.3 0.908 110.3 46.8 -65.9 -37.1 16.7 4.7 23.8 22 512 A E H ><5S+ 0 0 144 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.961 109.8 51.8 -66.4 -48.0 20.1 3.6 24.8 23 513 A R H 3<5S+ 0 0 183 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.663 105.6 56.1 -56.4 -29.1 21.7 6.9 24.1 24 514 A N T 3<5S- 0 0 25 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.023 118.7-108.4-103.8 19.7 19.2 8.8 26.1 25 515 A A T < 5 + 0 0 71 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.767 69.2 145.2 60.2 34.5 19.9 6.8 29.2 26 516 A L < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.819 42.1-135.2-101.1 142.0 16.7 4.8 29.2 27 517 A K >> - 0 0 142 -2,-0.4 3,-2.4 1,-0.0 4,-0.6 -0.606 39.8 -82.0 -92.1 160.4 16.6 1.2 30.3 28 518 A K T 34 S+ 0 0 174 1,-0.3 3,-0.3 -2,-0.2 -1,-0.0 0.691 120.8 22.1 -30.6 -58.8 14.7 -1.5 28.4 29 519 A G T 34 S+ 0 0 57 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.231 94.9 95.7-108.4 24.2 11.1 -1.2 29.5 30 520 A E T <4 S+ 0 0 64 -3,-2.4 48,-2.8 1,-0.2 2,-0.5 0.829 90.3 38.0 -76.2 -26.4 11.1 2.4 30.7 31 521 A L E < -a 78 0A 9 -4,-0.6 2,-0.5 -3,-0.3 -1,-0.2 -0.962 61.3-171.5-133.0 124.1 9.8 3.7 27.4 32 522 A T E -a 79 0A 63 46,-3.0 48,-2.7 -2,-0.5 2,-0.6 -0.932 3.4-178.5-107.5 123.7 7.2 2.3 25.0 33 523 A V E -a 80 0A 16 -2,-0.5 48,-0.2 46,-0.2 46,-0.1 -0.962 21.5-148.4-114.6 108.8 6.8 4.0 21.6 34 524 A D >> - 0 0 62 46,-3.1 4,-1.3 -2,-0.6 3,-1.1 -0.448 26.3-104.7 -80.1 171.9 4.1 2.1 19.7 35 525 A D H 3> S+ 0 0 62 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.687 119.1 62.8 -57.1 -31.7 4.0 1.7 15.9 36 526 A S H 3> S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.799 101.9 51.6 -72.0 -28.2 1.3 4.4 15.7 37 527 A A H <> S+ 0 0 0 -3,-1.1 4,-2.9 43,-0.3 -2,-0.2 0.926 108.0 49.4 -69.3 -45.4 3.7 7.0 17.1 38 528 A I H X S+ 0 0 1 -4,-1.3 4,-3.5 2,-0.2 -2,-0.2 0.949 112.1 49.4 -58.4 -37.8 6.5 6.3 14.7 39 529 A I H X S+ 0 0 29 -4,-1.8 4,-4.3 1,-0.2 5,-0.2 0.972 109.3 51.4 -66.1 -48.2 4.0 6.5 11.8 40 530 A G H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 5,-0.5 0.914 110.3 49.8 -50.2 -41.3 2.8 9.8 13.3 41 531 A I H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 5,-0.2 0.952 112.6 47.8 -65.9 -44.3 6.5 10.9 13.4 42 532 A I H X S+ 0 0 8 -4,-3.5 4,-0.7 -5,-0.2 -2,-0.2 0.974 117.3 41.0 -58.2 -51.8 6.9 9.8 9.8 43 533 A R H < S+ 0 0 124 -4,-4.3 -2,-0.2 1,-0.2 -1,-0.2 0.776 128.6 20.8 -72.1 -27.9 3.7 11.6 8.7 44 534 A Y H < S+ 0 0 98 -4,-2.3 49,-2.0 -5,-0.2 50,-1.8 0.446 124.4 41.9-122.6 -6.5 3.8 14.9 10.6 45 535 A Y H < S+ 0 0 6 -4,-1.7 2,-0.3 -5,-0.5 -3,-0.1 0.407 108.9 45.4-126.0 11.4 7.3 15.6 11.6 46 536 A T < - 0 0 9 -4,-0.7 2,-0.2 -5,-0.2 48,-0.1 -0.966 45.7-170.2-142.0 164.8 9.4 14.6 8.7 47 537 A R + 0 0 201 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.707 47.6 110.3-149.5 91.8 9.5 15.1 4.9 48 538 A E - 0 0 50 -2,-0.2 -2,-0.0 -6,-0.1 0, 0.0 -0.998 65.7-129.3-164.8 157.4 12.1 12.8 3.3 49 539 A A S S+ 0 0 68 -2,-0.3 -46,-2.4 -47,-0.1 -1,-0.1 0.813 98.2 35.3 -85.7 -29.9 13.0 9.8 1.2 50 540 A G S S- 0 0 29 -48,-0.2 -2,-0.1 -42,-0.0 4,-0.1 0.150 93.1-101.2 -98.3-146.1 15.4 8.3 3.8 51 541 A V S > S+ 0 0 24 2,-0.1 4,-2.9 3,-0.1 5,-0.2 0.273 81.4 104.0-131.9 12.1 15.3 8.3 7.7 52 542 A R H > S+ 0 0 210 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.932 89.9 46.0 -64.4 -37.1 17.6 10.9 9.1 53 543 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.932 112.3 54.6 -68.6 -37.0 14.7 13.3 10.0 54 544 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.925 109.8 46.0 -59.1 -43.1 12.9 10.1 11.4 55 545 A E H X S+ 0 0 48 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.915 108.0 55.7 -64.7 -43.1 15.9 9.5 13.6 56 546 A R H X S+ 0 0 120 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.951 111.8 43.2 -55.0 -51.9 16.2 13.1 14.7 57 547 A E H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.864 110.9 53.5 -66.1 -34.9 12.6 13.1 16.0 58 548 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.943 111.3 49.5 -64.1 -38.5 12.9 9.7 17.6 59 549 A S H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.960 109.9 47.8 -62.3 -49.9 15.9 11.1 19.4 60 550 A K H X S+ 0 0 54 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.919 110.2 56.2 -57.9 -40.2 14.1 14.1 20.5 61 551 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.976 109.9 42.9 -54.1 -54.1 11.3 11.7 21.6 62 552 A C H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.847 111.6 55.3 -65.3 -31.0 13.7 9.8 23.8 63 553 A R H X S+ 0 0 108 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.911 109.1 46.4 -67.7 -43.7 15.3 12.9 25.2 64 554 A K H X S+ 0 0 83 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.945 111.8 52.1 -63.5 -40.1 12.1 14.3 26.3 65 555 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.926 109.0 47.9 -67.2 -39.9 11.0 11.1 27.9 66 556 A V H X S+ 0 0 21 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.886 110.9 52.2 -66.0 -37.7 14.2 10.7 29.9 67 557 A K H X S+ 0 0 95 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.852 107.0 55.2 -66.5 -29.9 13.8 14.3 31.1 68 558 A Q H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.938 109.3 45.3 -64.5 -48.0 10.2 13.4 32.1 69 559 A L H >< S+ 0 0 20 -4,-2.3 3,-1.0 1,-0.2 6,-0.2 0.870 113.2 51.2 -66.2 -27.5 11.4 10.6 34.3 70 560 A L H 3< S+ 0 0 100 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.983 108.4 50.4 -72.5 -49.7 14.1 12.8 35.7 71 561 A L T 3< S+ 0 0 142 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.187 125.1 25.6 -73.7 23.4 11.7 15.5 36.6 72 562 A D X - 0 0 69 -3,-1.0 3,-0.9 -2,-0.1 -1,-0.2 -0.329 58.5-171.9 177.9 95.0 9.3 13.1 38.4 73 563 A K T 3 S+ 0 0 161 1,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 0.454 81.4 80.8 -84.6 -1.4 10.6 9.8 39.9 74 564 A S T 3 S+ 0 0 108 2,-0.0 2,-0.5 -5,-0.0 -1,-0.3 0.340 79.0 87.8 -75.1 5.0 7.1 8.8 40.6 75 565 A L < + 0 0 45 -3,-0.9 3,-0.1 -6,-0.2 -3,-0.1 -0.958 48.7 171.0-106.5 131.3 7.2 7.8 36.9 76 566 A K + 0 0 167 -2,-0.5 2,-0.3 1,-0.5 -1,-0.1 0.597 67.4 8.5-110.9 -23.2 8.3 4.3 36.1 77 567 A H - 0 0 69 2,-0.0 -1,-0.5 -46,-0.0 2,-0.4 -0.963 62.4-140.4-157.8 147.4 7.6 4.1 32.5 78 568 A I E -a 31 0A 6 -48,-2.8 -46,-3.0 -2,-0.3 2,-0.5 -0.927 11.5-158.7-118.2 132.2 6.4 6.4 29.6 79 569 A E E -a 32 0A 125 -2,-0.4 2,-0.4 -48,-0.2 -46,-0.2 -0.960 10.7-177.2-110.6 119.3 4.0 5.3 27.0 80 570 A I E +a 33 0A 3 -48,-2.7 -46,-3.1 -2,-0.5 -43,-0.3 -0.978 11.9 153.0-121.8 134.9 3.9 7.2 23.6 81 571 A N >> - 0 0 40 -2,-0.4 3,-1.0 -48,-0.2 4,-0.9 -0.779 61.6 -70.5-141.1-175.5 1.4 6.6 20.8 82 572 A G T 34 S+ 0 0 35 1,-0.2 4,-0.3 -2,-0.2 3,-0.1 0.787 124.9 53.7 -54.1 -27.5 -0.2 8.4 17.9 83 573 A D T 34 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.696 116.5 30.6 -86.2 -24.3 -2.4 10.5 20.2 84 574 A N T X4 S+ 0 0 34 -3,-1.0 3,-1.8 1,-0.1 4,-0.5 0.335 86.6 104.7-115.8 11.4 0.2 12.0 22.6 85 575 A L T >X S+ 0 0 5 -4,-0.9 4,-2.5 1,-0.3 3,-2.1 0.887 77.0 56.9 -58.4 -39.5 3.1 12.2 20.3 86 576 A H H 3> S+ 0 0 96 1,-0.3 4,-1.2 -4,-0.3 -1,-0.3 0.672 92.4 69.4 -71.6 -13.7 2.7 16.0 19.9 87 577 A D H <4 S+ 0 0 112 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.732 113.1 30.5 -70.3 -21.9 3.0 16.3 23.6 88 578 A Y H <4 S+ 0 0 31 -3,-2.1 -2,-0.2 -4,-0.5 -1,-0.2 0.744 129.1 36.1-100.7 -37.2 6.7 15.3 23.1 89 579 A L H < S- 0 0 3 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.448 98.2-139.0 -99.8 0.3 7.4 16.6 19.7 90 580 A G < + 0 0 34 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 -0.207 56.9 0.9 74.9-172.0 5.4 19.8 19.7 91 581 A V S S- 0 0 131 1,-0.1 -4,-0.0 -4,-0.1 0, 0.0 -0.226 86.7-100.6 -50.3 130.3 3.2 21.3 16.9 92 582 A Q - 0 0 111 1,-0.1 -47,-0.2 2,-0.1 -1,-0.1 -0.340 28.4-158.1 -62.8 142.3 3.2 19.2 13.8 93 583 A R 0 0 109 -49,-2.0 -48,-0.2 -3,-0.1 -1,-0.1 0.898 360.0 360.0 -86.0 -51.6 5.5 20.4 11.1 94 584 A F 0 0 91 -50,-1.8 -49,-0.1 -48,-0.1 -50,-0.1 0.349 360.0 360.0-113.1 360.0 4.0 18.8 7.9