==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 20-DEC-09 3L4J . COMPND 2 MOLECULE: DNA TOPOISOMERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.H.SCHMIDT,A.B.BURGIN,J.E.DEWEESE,N.OSHEROFF,J.M.BERGER . 721 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 47 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 3 1 1 1 0 3 4 1 4 1 0 1 0 1 0 0 0 0 1 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 5 1 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 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 1 421 A S 0 0 136 0, 0.0 2,-0.3 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 139.8 20.3 -43.6 16.3 2 422 A R - 0 0 186 1,-0.0 2,-0.2 9,-0.0 0, 0.0 -0.804 360.0-122.6-109.8 147.2 23.0 -40.9 15.7 3 423 A I + 0 0 46 -2,-0.3 8,-0.1 1,-0.1 78,-0.0 -0.519 23.2 178.0 -79.6 155.0 25.1 -40.1 12.6 4 424 A T + 0 0 120 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.649 62.5 78.7-123.1 -39.3 28.9 -40.1 12.7 5 425 A N S S+ 0 0 115 1,-0.1 72,-0.1 2,-0.1 -2,-0.0 0.739 89.8 58.9 -49.8 -31.4 30.1 -39.4 9.2 6 426 A Y + 0 0 36 1,-0.1 -1,-0.1 71,-0.1 3,-0.1 -0.869 49.7 177.5-119.7 117.3 29.6 -35.6 9.3 7 427 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.832 82.0 52.3 -68.7 -41.4 31.1 -33.2 11.8 8 428 A K S S+ 0 0 103 45,-0.1 2,-0.3 2,-0.1 43,-0.1 0.634 87.1 105.6 -86.0 -14.6 29.7 -29.8 10.6 9 429 A L - 0 0 14 -3,-0.1 2,-0.9 43,-0.1 43,-0.2 -0.498 60.9-153.4 -67.4 123.9 26.1 -31.2 10.7 10 430 A E B -A 51 0A 80 41,-2.1 41,-1.4 -2,-0.3 2,-0.4 -0.870 24.2-148.3 -94.5 100.6 24.0 -30.0 13.6 11 431 A D - 0 0 31 -2,-0.9 39,-0.1 39,-0.2 38,-0.1 -0.584 14.4-114.6 -81.3 123.4 21.6 -32.9 13.8 12 432 A A > - 0 0 0 -2,-0.4 3,-2.2 1,-0.1 35,-0.2 -0.275 26.1-123.7 -50.8 132.2 18.1 -32.3 14.9 13 433 A N T 3 S+ 0 0 76 33,-0.7 34,-0.2 1,-0.3 -1,-0.1 0.790 110.2 39.2 -53.0 -33.2 17.6 -34.1 18.2 14 434 A K T 3 S+ 0 0 54 33,-1.7 3,-0.4 32,-0.3 -1,-0.3 -0.091 84.4 152.9-111.0 34.5 14.6 -36.1 16.8 15 435 A A S < S- 0 0 3 -3,-2.2 83,-0.2 1,-0.2 3,-0.1 -0.457 73.6 -9.5 -67.9 125.3 16.0 -36.7 13.4 16 436 A G S S+ 0 0 38 81,-2.4 -1,-0.2 1,-0.3 82,-0.1 0.311 107.3 119.4 79.0 -10.4 14.8 -39.9 11.7 17 437 A T S > S- 0 0 51 -3,-0.4 3,-5.8 80,-0.2 -1,-0.3 -0.282 97.1 -65.8 -79.7 171.6 13.1 -40.9 14.9 18 438 A K T 3 S+ 0 0 196 1,-0.4 3,-0.3 2,-0.1 -1,-0.1 0.650 142.9 53.2 -47.4 -17.5 9.4 -41.4 15.0 19 439 A E T >> S+ 0 0 51 -5,-0.3 3,-2.0 1,-0.2 4,-1.4 0.453 70.2 117.1 -94.6 8.8 9.3 -37.7 14.4 20 440 A G T <4 S+ 0 0 4 -3,-5.8 79,-1.0 1,-0.3 80,-0.3 0.792 71.3 58.1 -55.6 -33.2 11.5 -37.6 11.3 21 441 A Y T 34 S+ 0 0 92 -3,-0.3 -1,-0.3 77,-0.3 -2,-0.1 0.871 106.7 47.4 -61.1 -39.5 8.7 -36.3 9.1 22 442 A K T <4 S+ 0 0 100 -3,-2.0 -1,-0.2 -8,-0.1 -2,-0.2 0.883 94.2 96.8 -69.0 -40.9 8.2 -33.2 11.2 23 443 A C < - 0 0 0 -4,-1.4 76,-1.7 -9,-0.2 77,-1.3 -0.053 63.1-147.4 -55.4 150.4 12.0 -32.4 11.4 24 444 A T E -bc 49 100A 7 24,-2.1 26,-2.4 75,-0.2 2,-0.6 -0.976 4.4-152.4-125.2 134.3 13.5 -29.9 9.0 25 445 A L E -bc 50 101A 0 75,-2.7 77,-3.6 -2,-0.4 2,-0.8 -0.929 10.9-152.7-103.8 121.8 17.0 -29.8 7.5 26 446 A V E -bc 51 102A 14 24,-3.3 26,-2.1 -2,-0.6 2,-0.6 -0.847 5.0-158.1 -94.7 109.7 18.4 -26.4 6.6 27 447 A L E -bc 52 103A 2 75,-3.3 77,-2.8 -2,-0.8 2,-0.3 -0.806 16.1-158.3 -84.3 117.9 20.9 -26.6 3.8 28 448 A T E -bc 53 104A 0 24,-1.4 26,-3.5 -2,-0.6 2,-1.0 -0.772 17.5-131.4-103.4 143.8 23.1 -23.5 4.0 29 449 A E E > S-b 54 0A 39 75,-2.6 4,-0.6 -2,-0.3 3,-0.1 -0.786 79.0 -20.5 -90.3 96.7 25.1 -21.9 1.2 30 450 A G H > S- 0 0 24 24,-1.4 4,-2.0 -2,-1.0 24,-0.1 -0.091 84.7 -79.7 90.7 167.3 28.5 -21.3 2.8 31 451 A D H > S+ 0 0 87 2,-0.2 4,-3.0 1,-0.2 -1,-0.1 0.699 124.4 63.2 -81.7 -20.3 29.6 -21.1 6.5 32 452 A S H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.964 110.8 38.7 -64.2 -52.1 28.4 -17.5 6.8 33 453 A A H X S+ 0 0 0 -4,-0.6 4,-2.5 2,-0.2 3,-0.3 0.934 115.6 54.4 -58.8 -47.1 24.9 -18.6 6.1 34 454 A L H X S+ 0 0 14 -4,-2.0 4,-3.0 1,-0.3 5,-0.3 0.921 103.3 55.1 -55.3 -42.9 25.6 -21.8 8.2 35 455 A S H X S+ 0 0 58 -4,-3.0 4,-1.9 1,-0.3 -1,-0.3 0.889 109.4 48.0 -60.1 -38.9 26.6 -19.6 11.2 36 456 A L H X S+ 0 0 4 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.3 0.908 110.3 51.7 -67.2 -41.7 23.3 -17.9 10.9 37 457 A A H X S+ 0 0 6 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.935 111.2 46.2 -59.1 -48.6 21.4 -21.2 10.7 38 458 A V H X S+ 0 0 52 -4,-3.0 4,-0.8 1,-0.2 3,-0.3 0.876 110.3 53.8 -64.9 -36.7 23.1 -22.6 13.8 39 459 A A H >< S+ 0 0 44 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.863 104.3 57.7 -61.6 -35.0 22.5 -19.3 15.6 40 460 A G H >X S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.2 4,-2.2 0.822 91.4 68.8 -65.8 -33.1 18.8 -19.8 14.7 41 461 A L H 3X S+ 0 0 9 -4,-1.2 4,-2.7 -3,-0.3 -1,-0.2 0.860 90.3 62.8 -53.7 -38.8 18.7 -23.1 16.5 42 462 A A H << S+ 0 0 79 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.580 111.8 38.5 -63.5 -9.6 19.0 -21.3 19.8 43 463 A V H <4 S+ 0 0 58 -3,-2.4 -2,-0.2 -4,-0.1 -1,-0.2 0.785 126.4 30.1-106.9 -44.2 15.7 -19.6 18.9 44 464 A V H < S- 0 0 41 -4,-2.2 4,-0.2 1,-0.1 -3,-0.2 0.528 110.3-111.9 -99.5 -8.6 13.7 -22.4 17.3 45 465 A G < - 0 0 32 -4,-2.7 3,-0.3 -5,-0.3 4,-0.2 0.301 8.4-109.1 91.2 145.9 15.1 -25.4 19.1 46 466 A R S > S+ 0 0 126 1,-0.2 3,-1.5 2,-0.1 -33,-0.7 0.835 98.8 80.8 -74.0 -35.9 17.3 -28.4 18.1 47 467 A D T 3 S+ 0 0 58 1,-0.3 -33,-1.7 -35,-0.2 -1,-0.2 0.780 110.1 18.4 -46.0 -39.9 14.6 -31.0 18.5 48 468 A Y T 3 S+ 0 0 89 -3,-0.3 -24,-2.1 -4,-0.2 2,-0.4 0.247 118.0 68.1-121.3 11.7 13.0 -30.4 15.1 49 469 A Y E < + b 0 24A 55 -3,-1.5 2,-0.3 -4,-0.2 -36,-0.3 -0.997 46.2 162.5-138.8 136.1 15.7 -28.5 13.2 50 470 A G E - b 0 25A 0 -26,-2.4 -24,-3.3 -2,-0.4 2,-0.3 -0.926 17.8-150.0-138.8 167.1 19.1 -29.3 11.9 51 471 A C E -Ab 10 26A 1 -41,-1.4 -41,-2.1 -2,-0.3 -24,-0.2 -1.000 10.6-177.2-142.3 143.3 21.5 -27.7 9.4 52 472 A Y E - b 0 27A 4 -26,-2.1 -24,-1.4 -2,-0.3 2,-0.3 -0.988 28.2-124.2-137.3 128.1 24.1 -28.9 6.9 53 473 A P E - b 0 28A 3 0, 0.0 2,-0.4 0, 0.0 -24,-0.2 -0.550 12.8-137.3 -74.6 131.0 26.2 -26.6 4.8 54 474 A L E - b 0 29A 2 -26,-3.5 -24,-1.4 -2,-0.3 -20,-0.1 -0.728 18.5-141.3 -74.5 128.9 26.3 -27.0 1.0 55 475 A R - 0 0 138 -2,-0.4 2,-0.2 -26,-0.1 -1,-0.2 0.988 56.8 -55.3 -61.2 -61.2 29.9 -26.6 0.1 56 476 A G S S- 0 0 41 1,-0.1 2,-0.4 -3,-0.1 -26,-0.1 -0.512 100.6 -2.2-148.4-142.5 29.6 -24.7 -3.2 57 477 A K S S- 0 0 108 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.519 81.8-123.4 -60.0 117.2 27.9 -24.8 -6.6 58 478 A M - 0 0 11 -2,-0.4 -1,-0.1 1,-0.1 2,-0.0 -0.377 25.8 -94.8 -73.6 143.1 26.2 -28.2 -6.3 59 479 A L - 0 0 31 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.303 33.1-125.6 -55.8 127.8 26.8 -31.0 -8.9 60 480 A N - 0 0 42 1,-0.1 -1,-0.1 -3,-0.1 58,-0.1 -0.702 24.0-161.7 -73.6 112.7 24.2 -31.0 -11.7 61 481 A V > + 0 0 8 -2,-0.8 3,-1.1 56,-0.2 2,-0.6 0.720 68.3 76.4 -80.7 -21.4 23.1 -34.6 -11.5 62 482 A R T 3 S+ 0 0 27 1,-0.2 162,-0.3 160,-0.1 3,-0.1 -0.821 103.8 28.2 -87.3 124.2 21.5 -35.0 -15.0 63 483 A E T 3 S+ 0 0 69 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.443 102.8 112.7 93.4 8.6 24.4 -35.3 -17.4 64 484 A A < - 0 0 19 -3,-1.1 -1,-0.3 -5,-0.1 2,-0.1 -0.957 68.0-121.3-117.2 132.3 26.5 -36.9 -14.6 65 485 A S >> - 0 0 88 -2,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.373 26.5-113.7 -69.3 144.7 27.7 -40.5 -14.5 66 486 A A H 3> S+ 0 0 84 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.836 120.3 50.5 -49.0 -39.3 26.7 -42.8 -11.5 67 487 A D H 3> S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.907 107.5 51.7 -65.9 -40.2 30.3 -42.8 -10.6 68 488 A Q H <> S+ 0 0 99 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.925 114.7 43.5 -64.4 -40.5 30.7 -39.0 -10.7 69 489 A I H >< S+ 0 0 21 -4,-2.5 3,-1.4 2,-0.2 7,-0.3 0.979 113.6 49.8 -60.7 -53.7 27.7 -38.7 -8.5 70 490 A L H 3< S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 108.4 54.5 -59.9 -36.2 28.8 -41.4 -6.1 71 491 A K H 3< S+ 0 0 172 -4,-2.6 2,-0.8 -5,-0.2 -1,-0.3 0.801 85.6 97.0 -65.8 -28.9 32.2 -39.8 -5.9 72 492 A N S+ 0 0 70 -2,-0.8 4,-3.6 1,-0.2 5,-0.2 0.872 82.4 58.4 -62.1 -40.8 30.8 -36.4 -1.1 74 494 A E H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.963 109.0 41.9 -54.0 -56.9 28.5 -33.4 -0.8 75 495 A I H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 116.9 49.8 -61.5 -41.5 25.5 -35.1 -2.5 76 496 A Q H X S+ 0 0 45 -4,-2.1 4,-2.2 -7,-0.3 3,-0.3 0.969 106.2 54.8 -58.0 -53.0 26.2 -38.3 -0.7 77 497 A A H X S+ 0 0 6 -4,-3.6 4,-2.2 1,-0.3 -1,-0.2 0.832 108.6 50.7 -50.8 -36.4 26.4 -36.5 2.7 78 498 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.3 0.919 107.5 51.7 -66.7 -45.1 22.9 -35.2 2.0 79 499 A K H <>S+ 0 0 8 -4,-2.0 5,-4.2 -3,-0.3 -2,-0.2 0.835 113.4 45.5 -62.7 -32.4 21.5 -38.6 1.1 80 500 A K H ><5S+ 0 0 108 -4,-2.2 3,-1.0 3,-0.2 -1,-0.2 0.902 112.8 48.0 -78.2 -42.6 22.9 -40.0 4.4 81 501 A I H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.865 118.0 41.7 -65.5 -35.8 21.7 -37.1 6.6 82 502 A M T 3<5S- 0 0 1 -4,-2.4 15,-0.9 -5,-0.2 16,-0.6 0.310 110.2-122.1 -92.4 8.8 18.2 -37.2 5.0 83 503 A G T < 5 + 0 0 25 -3,-1.0 2,-0.3 13,-0.3 -3,-0.2 0.946 55.1 172.6 45.0 56.1 18.1 -41.0 5.1 84 504 A L < + 0 0 6 -5,-4.2 2,-0.3 -6,-0.2 -1,-0.2 -0.695 20.5 168.1-103.9 148.3 17.6 -40.9 1.3 85 505 A Q - 0 0 116 -2,-0.3 11,-0.0 2,-0.1 -5,-0.0 -0.971 35.3-128.2-150.7 154.6 17.6 -43.6 -1.4 86 506 A H + 0 0 98 -2,-0.3 4,-0.1 40,-0.1 -1,-0.1 0.790 58.9 131.9 -65.4 -33.9 16.6 -43.8 -5.1 87 507 A R S S- 0 0 205 39,-0.1 -2,-0.1 2,-0.1 2,-0.0 0.215 71.1 -37.6 -58.2 138.8 14.3 -46.8 -5.0 88 508 A K S S- 0 0 195 2,-0.1 2,-0.3 38,-0.0 0, 0.0 -0.312 100.9 -47.0 60.1-134.3 10.8 -46.8 -6.5 89 509 A K - 0 0 130 39,-0.1 2,-0.5 37,-0.1 39,-0.3 -0.987 58.6-109.2-130.6 141.8 9.0 -43.5 -6.2 90 510 A Y + 0 0 19 37,-3.2 41,-0.1 -2,-0.3 42,-0.1 -0.602 39.5 167.0 -79.6 121.5 8.6 -41.5 -3.0 91 511 A E + 0 0 146 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.828 65.4 13.9 -96.3 -43.6 5.1 -41.7 -1.7 92 512 A D > - 0 0 88 40,-0.1 3,-1.1 1,-0.0 -1,-0.3 -0.985 63.7-127.4-138.9 147.2 5.5 -40.3 1.8 93 513 A T G > S+ 0 0 15 -2,-0.3 3,-1.1 1,-0.3 5,-0.1 0.406 88.4 101.2 -71.2 6.4 8.2 -38.4 3.7 94 514 A K G 3 + 0 0 132 1,-0.2 -1,-0.3 -74,-0.1 -73,-0.1 0.824 68.7 62.2 -60.0 -33.3 7.9 -41.1 6.3 95 515 A S G < S+ 0 0 78 -3,-1.1 -1,-0.2 -75,-0.1 -2,-0.1 0.621 92.6 87.2 -69.1 -14.1 11.0 -43.0 5.1 96 516 A L S < S- 0 0 6 -3,-1.1 -13,-0.3 2,-0.2 -80,-0.1 -0.342 79.4-125.2-103.9 158.5 13.5 -40.2 5.9 97 517 A R S S+ 0 0 29 -15,-0.9 -81,-2.4 -82,-0.1 2,-0.3 0.716 105.1 30.1 -71.0 -21.4 15.6 -38.8 8.7 98 518 A Y - 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