==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-01 1HWL . COMPND 2 MOLECULE: HMG-COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.ISTVAN,J.DEISENHOFER . 1585 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1180 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 16.6 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 . 12 0.8 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 . 4 0.3 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 . 98 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 528 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.6 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 9 4 8 0 1 3 2 9 8 6 1 1 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 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 . 0 0 12 0 0 0 12 5 5 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 8 2 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 1 442 A P 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.3 43.9 30.7 -9.9 2 443 A R - 0 0 117 1,-0.1 9,-0.0 2,-0.1 2,-0.0 -0.205 360.0 -94.2 -67.4 153.5 44.8 33.1 -7.1 3 444 A P >> - 0 0 74 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.335 38.6-110.7 -64.0 149.3 47.0 32.2 -4.1 4 445 A N T 34 S+ 0 0 64 1,-0.2 -2,-0.1 2,-0.2 14,-0.0 0.801 113.4 55.4 -54.1 -39.0 45.3 30.9 -1.0 5 446 A E T 34 S+ 0 0 198 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.891 107.5 50.0 -64.5 -38.9 46.0 33.9 1.3 6 447 A E T <4 0 0 136 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 360.0 360.0 -64.1 -36.5 44.4 36.3 -1.3 7 448 A C < 0 0 47 -4,-1.6 -2,-0.2 7,-0.1 -3,-0.2 0.905 360.0 360.0 -83.2 360.0 41.4 33.9 -1.3 8 ! 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 9 461 A F 0 0 215 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -49.8 32.4 35.3 -4.5 10 462 A L - 0 0 63 1,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.181 360.0 -52.4-124.4-145.2 35.5 33.8 -6.2 11 463 A S > - 0 0 47 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.796 36.7-128.3-103.9 148.5 36.5 31.1 -8.7 12 464 A D H > S+ 0 0 58 -2,-0.3 4,-2.6 1,-0.2 3,-0.2 0.946 112.8 49.8 -58.3 -49.3 35.4 27.5 -8.6 13 465 A A H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.837 111.2 51.6 -58.8 -32.7 39.0 26.3 -9.0 14 466 A E H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.855 108.1 48.9 -73.6 -37.1 39.9 28.6 -6.2 15 467 A I H X S+ 0 0 19 -4,-2.2 4,-3.5 -3,-0.2 -2,-0.2 0.947 113.7 48.5 -66.9 -43.2 37.2 27.4 -3.8 16 468 A I H X S+ 0 0 31 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.921 111.6 47.7 -60.5 -48.2 38.4 23.8 -4.5 17 469 A Q H X S+ 0 0 71 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.844 114.6 48.6 -62.1 -33.4 42.1 24.7 -4.0 18 470 A L H X S+ 0 0 34 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.948 110.9 49.8 -69.9 -50.2 41.0 26.4 -0.8 19 471 A V H <>S+ 0 0 9 -4,-3.5 5,-1.5 1,-0.2 4,-0.4 0.921 112.9 46.5 -53.7 -51.6 38.9 23.4 0.3 20 472 A N H ><5S+ 0 0 94 -4,-2.9 3,-0.6 3,-0.2 -1,-0.2 0.950 116.5 44.6 -58.4 -50.3 41.7 21.0 -0.3 21 473 A A H 3<5S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.950 119.4 36.3 -62.2 -59.4 44.3 23.1 1.5 22 474 A K T 3<5S- 0 0 150 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.400 108.3-127.2 -77.1 6.2 42.5 24.2 4.7 23 475 A H T < 5 + 0 0 161 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.838 40.1 179.5 49.6 44.0 41.0 20.7 4.5 24 476 A I < - 0 0 47 -5,-1.5 -1,-0.2 -6,-0.3 2,-0.1 -0.570 31.8-115.3 -75.3 127.7 37.4 22.0 4.8 25 477 A P > - 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.439 20.8-122.6 -64.5 141.3 34.9 19.1 4.7 26 478 A A G > S+ 0 0 24 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.849 104.9 66.0 -53.1 -41.0 32.7 19.1 1.6 27 479 A Y G > S+ 0 0 117 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.612 89.8 66.0 -61.8 -11.8 29.4 19.2 3.6 28 480 A K G X S+ 0 0 97 -3,-1.6 3,-1.1 1,-0.2 -1,-0.3 0.400 72.8 97.8 -90.9 5.1 30.2 22.7 5.0 29 481 A L G X> + 0 0 0 -3,-1.9 3,-1.1 1,-0.2 4,-0.7 0.739 68.2 67.5 -63.5 -29.6 29.9 24.2 1.5 30 482 A E G <4 S+ 0 0 33 -3,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.795 101.5 50.0 -62.9 -28.3 26.3 25.5 1.9 31 483 A T G <4 S+ 0 0 119 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 -0.310 113.1 46.0-104.5 46.2 27.6 27.9 4.5 32 484 A L T <4 S+ 0 0 99 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.316 100.4 68.1-162.1 -6.4 30.4 29.2 2.3 33 485 A I S < S- 0 0 16 -4,-0.7 -1,-0.3 -3,-0.3 6,-0.1 -0.972 71.7-129.0-131.8 143.9 28.8 29.9 -1.1 34 486 A E S S+ 0 0 128 -2,-0.4 -1,-0.2 -3,-0.1 2,-0.1 0.963 92.0 34.6 -50.4 -72.8 26.2 32.4 -2.4 35 487 A T S > S- 0 0 67 1,-0.1 4,-0.8 4,-0.0 -2,-0.0 -0.455 74.5-133.1 -85.5 158.5 23.7 30.0 -4.1 36 488 A H H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.903 105.1 62.0 -73.3 -40.5 22.8 26.5 -2.9 37 489 A E H > S+ 0 0 29 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.774 102.1 48.9 -55.6 -35.0 23.2 25.2 -6.4 38 490 A R H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.816 103.7 62.7 -77.0 -27.6 26.9 26.2 -6.6 39 491 A G H X S+ 0 0 0 -4,-0.8 4,-2.1 -3,-0.5 -2,-0.2 0.951 110.7 37.3 -59.1 -46.8 27.4 24.5 -3.3 40 492 A V H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.893 112.1 59.5 -72.8 -37.9 26.4 21.2 -4.8 41 493 A S H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.929 109.7 43.7 -55.4 -45.4 28.1 22.0 -8.1 42 494 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.920 111.7 52.1 -67.5 -42.9 31.4 22.4 -6.1 43 495 A R H X S+ 0 0 6 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.920 109.4 51.8 -59.9 -39.6 30.8 19.2 -4.1 44 496 A R H X S+ 0 0 26 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.922 109.9 48.4 -61.6 -44.0 30.2 17.4 -7.4 45 497 A Q H X S+ 0 0 70 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.923 112.6 48.1 -63.2 -43.9 33.5 18.7 -8.8 46 498 A L H < S+ 0 0 17 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.929 114.0 47.6 -61.1 -45.8 35.4 17.7 -5.6 47 499 A L H >< S+ 0 0 9 -4,-2.8 3,-1.9 1,-0.2 4,-0.4 0.872 102.2 62.7 -63.4 -41.9 33.8 14.2 -5.7 48 500 A S H >< S+ 0 0 24 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.826 96.5 59.1 -55.4 -35.3 34.5 13.6 -9.4 49 501 A K T 3< S+ 0 0 182 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.693 104.2 52.7 -67.3 -20.4 38.2 13.8 -8.7 50 502 A K T < S+ 0 0 138 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 0.454 91.4 96.8 -95.5 -1.8 37.8 10.9 -6.3 51 503 A L S < S- 0 0 15 -3,-1.2 717,-0.1 -4,-0.4 716,-0.1 -0.685 75.5-133.0 -94.9 143.4 36.0 8.5 -8.7 52 504 A S S S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.3 715,-0.1 0.752 112.8 36.5 -60.0 -22.8 37.6 5.8 -10.8 53 505 A E S > S- 0 0 90 713,-0.2 3,-2.3 714,-0.1 -1,-0.3 -0.819 76.3-166.4-132.8 92.8 35.5 7.4 -13.6 54 506 A P T 3 S+ 0 0 76 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.652 86.1 60.5 -52.5 -21.4 35.4 11.2 -13.1 55 507 A S T > S+ 0 0 55 1,-0.2 3,-1.6 2,-0.1 4,-0.2 0.335 71.2 108.3 -92.9 10.9 32.6 11.6 -15.6 56 508 A S G X S+ 0 0 2 -3,-2.3 3,-0.7 1,-0.3 710,-0.2 0.860 74.8 52.6 -52.2 -44.2 30.2 9.4 -13.5 57 509 A L G > S+ 0 0 5 -3,-0.4 3,-2.3 1,-0.2 -1,-0.3 0.491 75.8 106.4 -74.5 -5.6 28.0 12.3 -12.4 58 510 A Q G < S+ 0 0 134 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.837 88.1 35.5 -42.3 -45.8 27.4 13.6 -16.0 59 511 A Y G < S+ 0 0 126 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.328 90.4 102.0 -97.8 9.3 23.8 12.3 -16.0 60 512 A L S < S- 0 0 2 -3,-2.3 22,-0.1 703,-0.1 701,-0.0 -0.838 70.9-137.8 -93.3 109.3 22.9 12.9 -12.4 61 513 A P + 0 0 31 0, 0.0 20,-1.9 0, 0.0 -2,-0.1 -0.172 41.7 149.4 -64.0 157.7 20.8 16.1 -12.5 62 514 A Y > + 0 0 39 18,-0.3 3,-0.6 1,-0.1 2,-0.1 0.351 38.3 105.5-161.6 -20.8 21.2 18.9 -9.9 63 515 A R T 3 S+ 0 0 115 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 -0.407 80.0 14.4 -77.9 149.4 20.3 22.2 -11.6 64 516 A D T 3 S+ 0 0 145 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.825 88.9 133.6 60.4 36.7 17.1 24.2 -11.1 65 517 A Y < - 0 0 25 -3,-0.6 2,-1.8 16,-0.0 -1,-0.2 -0.949 64.7-115.4-117.5 141.1 16.0 22.3 -8.0 66 518 A N >> + 0 0 75 -2,-0.4 3,-0.7 1,-0.2 4,-0.5 -0.500 41.3 166.4 -76.9 84.1 14.8 24.0 -4.8 67 519 A Y H 3> + 0 0 5 -2,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.616 58.3 84.5 -73.3 -13.5 17.6 23.0 -2.3 68 520 A S H 34 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.895 94.7 41.7 -56.4 -43.3 16.4 25.6 0.2 69 521 A L H <4 S+ 0 0 70 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 116.7 49.9 -75.2 -27.7 13.8 23.2 1.7 70 522 A V H >X>S+ 0 0 0 -4,-0.5 4,-2.8 3,-0.1 3,-1.8 0.914 89.3 90.4 -76.9 -46.9 16.1 20.2 1.5 71 523 A M B 3<5S+a 75 0A 36 -4,-2.9 5,-0.1 1,-0.3 436,-0.0 -0.287 103.9 1.7 -59.4 128.7 19.2 21.7 3.2 72 524 A G T 345S+ 0 0 79 3,-0.6 -1,-0.3 1,-0.1 4,-0.1 0.691 135.3 52.0 68.6 20.7 19.3 21.2 7.0 73 525 A A T <45S+ 0 0 53 -3,-1.8 434,-0.7 2,-0.4 -2,-0.2 0.506 114.7 15.6-148.6 -45.0 16.0 19.2 6.9 74 526 A C T <5S+ 0 0 3 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.652 117.4 5.0-116.2 -22.5 15.9 16.3 4.4 75 527 A C B < -a 71 0A 0 -5,-1.2 -3,-0.6 430,-0.1 -2,-0.4 -0.988 53.0-148.5-161.2 159.3 19.4 15.4 3.2 76 528 A E S S+ 0 0 33 -2,-0.3 411,-0.4 1,-0.2 3,-0.2 -0.910 76.0 27.1-131.5 161.6 23.1 16.2 3.6 77 529 A N S S- 0 0 18 -2,-0.3 410,-0.9 409,-0.2 -1,-0.2 0.888 83.7-162.9 55.0 41.4 26.2 16.2 1.4 78 530 A V E +B 486 0B 0 408,-0.2 408,-0.3 -3,-0.2 -1,-0.2 -0.354 30.0 168.4 -64.9 128.0 23.8 16.8 -1.5 79 531 A I E - 0 0 0 406,-2.7 2,-0.3 1,-0.3 407,-0.1 0.210 63.8 -64.6-120.7 10.9 25.2 16.1 -5.0 80 532 A G E -B 485 0B 0 405,-0.7 405,-2.7 -18,-0.1 2,-0.3 -0.975 61.2 -70.4 141.5-157.4 21.9 16.4 -6.9 81 533 A Y E -B 484 0B 23 -20,-1.9 422,-0.0 -2,-0.3 -16,-0.0 -0.963 25.3-130.1-140.8 154.8 18.6 14.6 -7.1 82 534 A M E -B 483 0B 0 401,-2.7 401,-1.9 -2,-0.3 2,-0.5 -0.932 22.7-142.9-108.3 114.2 17.2 11.2 -8.4 83 535 A P E -B 482 0B 2 0, 0.0 678,-0.1 0, 0.0 -2,-0.0 -0.630 14.4-167.5 -79.3 124.0 14.2 11.5 -10.7 84 536 A I E -B 481 0B 10 397,-2.0 397,-3.0 -2,-0.5 22,-0.1 -0.949 28.7-113.0-111.0 124.6 11.6 8.7 -10.2 85 537 A P E -B 480 0B 1 0, 0.0 20,-1.9 0, 0.0 2,-0.5 -0.240 28.4-149.5 -55.9 134.3 8.9 8.4 -12.9 86 538 A V E +BC 479 104B 0 393,-2.7 392,-2.6 18,-0.2 393,-0.7 -0.955 18.3 178.8-111.7 122.5 5.5 9.2 -11.6 87 539 A G E -BC 477 103B 0 16,-2.8 16,-2.7 -2,-0.5 2,-0.4 -0.676 21.0-125.0-113.0 170.1 2.5 7.5 -13.2 88 540 A V E - C 0 102B 9 388,-0.9 2,-0.4 387,-0.3 27,-0.1 -0.971 16.3-170.6-126.0 134.1 -1.2 7.7 -12.3 89 541 A A E - C 0 101B 0 12,-2.5 12,-2.8 -2,-0.4 3,-0.2 -0.972 38.1 -50.1-119.4 131.8 -3.7 5.0 -11.5 90 542 A G E - 0 0 19 -2,-0.4 10,-0.2 1,-0.3 2,-0.1 -0.911 43.3 -83.6 155.6-178.5 -7.4 5.8 -11.3 91 543 A P E - 0 0 48 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.423 55.6-165.0 -71.9 146.9 -10.0 6.9 -10.8 92 544 A L E - C 0 99B 0 7,-2.3 7,-1.9 -3,-0.2 2,-1.0 -0.929 10.3-148.3-101.7 112.1 -10.1 4.9 -7.5 93 545 A C E + C 0 98B 28 -2,-0.7 34,-3.1 25,-0.3 2,-0.4 -0.750 33.4 160.4 -85.5 102.6 -13.7 4.9 -6.3 94 546 A L E > -dC 127 97B 0 3,-1.8 3,-0.8 -2,-1.0 34,-0.2 -0.972 62.6 -16.4-134.1 124.7 -13.4 4.8 -2.6 95 547 A D T 3 S- 0 0 32 32,-3.3 -1,-0.1 -2,-0.4 33,-0.1 0.920 127.2 -53.5 50.5 45.0 -16.0 5.8 0.0 96 548 A E T 3 S+ 0 0 206 31,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.735 120.7 101.1 64.6 25.2 -18.1 7.6 -2.7 97 549 A K E < -C 94 0B 105 -3,-0.8 -3,-1.8 -5,-0.1 2,-0.4 -0.833 66.5-129.7-128.8 166.9 -15.1 9.7 -3.8 98 550 A E E -C 93 0B 142 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.990 21.9-166.2-124.0 128.8 -12.8 9.4 -6.8 99 551 A F E -C 92 0B 17 -7,-1.9 -7,-2.3 -2,-0.4 2,-0.7 -0.921 19.1-150.8-119.5 142.0 -9.1 9.5 -6.5 100 552 A Q E - 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