==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-DEC-09 3L6V . COMPND 2 MOLECULE: DNA GYRASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR T.J.HSIEH,T.J.YEN,T.S.LIN,H.T.CHANG,S.Y.HUANG,L.FARH, . 618 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 33.2 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 . 12 1.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 47 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 10 0 1 12 12 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 . 0 1 5 6 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 1 530 A M 0 0 209 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.4 61.1 20.9 62.0 2 531 A D - 0 0 149 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.667 360.0-179.6-102.1 81.5 58.2 22.5 60.2 3 532 A L + 0 0 135 -2,-1.2 0, 0.0 1,-0.1 0, 0.0 -0.618 8.2 179.9 -88.1 143.9 57.4 20.3 57.2 4 533 A I + 0 0 139 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.600 36.9 117.0-126.1 -23.3 54.6 21.6 55.1 5 534 A A - 0 0 89 1,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.255 67.5-118.4 -52.8 133.3 54.2 19.1 52.2 6 535 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.603 32.2-107.9 -73.1 138.4 50.8 17.4 52.2 7 536 A E - 0 0 89 -2,-0.3 49,-0.4 1,-0.1 2,-0.0 -0.302 32.8-113.4 -64.7 142.2 50.9 13.7 52.7 8 537 A D - 0 0 69 47,-0.1 16,-2.6 15,-0.1 2,-0.4 -0.309 29.2-136.3 -69.4 168.0 50.0 11.5 49.7 9 538 A V E -AB 23 54A 7 45,-2.9 45,-3.0 14,-0.3 2,-0.6 -0.949 3.2-134.4-129.5 135.9 46.9 9.4 49.8 10 539 A V E -AB 22 53A 4 12,-3.1 12,-1.1 -2,-0.4 2,-0.5 -0.883 20.2-161.7 -87.6 120.5 46.3 5.8 48.7 11 540 A V E -AB 21 52A 2 41,-3.0 41,-2.7 -2,-0.6 2,-0.3 -0.871 11.0-170.8 -96.1 132.2 43.1 5.5 46.7 12 541 A T E -AB 20 51A 10 8,-2.0 8,-1.3 -2,-0.5 2,-0.4 -0.880 15.1-162.1-120.4 156.3 41.7 2.0 46.4 13 542 A L E -AB 19 50A 22 37,-1.9 36,-2.1 -2,-0.3 37,-1.5 -0.996 18.4-143.1-131.2 128.9 38.9 0.4 44.4 14 543 A S E - B 0 48A 9 4,-2.4 3,-0.4 -2,-0.4 34,-0.3 -0.441 26.6-108.0 -88.4 166.9 37.5 -2.9 45.5 15 544 A H S S+ 0 0 72 32,-3.3 33,-0.1 1,-0.3 -1,-0.1 0.881 123.3 49.8 -63.3 -35.8 36.4 -5.7 43.1 16 545 A A S S- 0 0 72 31,-0.2 -1,-0.3 2,-0.1 32,-0.1 0.739 128.2-102.5 -72.3 -23.3 32.7 -5.0 43.9 17 546 A G + 0 0 15 -3,-0.4 72,-2.4 1,-0.3 2,-0.4 0.699 66.4 149.6 111.7 28.0 33.5 -1.3 43.2 18 547 A Y E - C 0 88A 58 70,-0.2 -4,-2.4 71,-0.1 2,-0.3 -0.780 30.0-152.7 -91.6 136.0 33.8 0.6 46.5 19 548 A A E +AC 13 87A 1 68,-3.2 68,-2.4 -2,-0.4 2,-0.3 -0.883 21.1 161.9-112.3 146.3 36.2 3.6 46.4 20 549 A K E -A 12 0A 21 -8,-1.3 -8,-2.0 -2,-0.3 2,-0.3 -0.939 21.5-149.9-156.9 152.8 38.2 4.9 49.5 21 550 A R E +Ad 11 79A 31 57,-2.1 59,-2.1 -2,-0.3 -10,-0.2 -0.970 15.9 175.4-132.6 155.2 41.2 7.1 50.2 22 551 A Q E -A 10 0A 15 -12,-1.1 -12,-3.1 -2,-0.3 5,-0.1 -0.969 42.2 -93.5-156.7 138.4 43.6 7.0 53.2 23 552 A P E >> -A 9 0A 33 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.260 39.9-126.9 -53.2 132.4 46.8 8.9 54.1 24 553 A V H 3> S+ 0 0 13 -16,-2.6 4,-2.8 1,-0.3 5,-0.2 0.847 106.7 59.5 -61.4 -27.1 49.6 6.6 52.8 25 554 A S H 3> S+ 0 0 67 -17,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.866 107.6 45.5 -66.8 -32.5 51.3 6.6 56.2 26 555 A A H <> S+ 0 0 31 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.869 110.9 53.6 -76.8 -39.3 48.2 5.1 57.8 27 556 A Y H < S+ 0 0 39 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.942 113.1 43.7 -54.6 -50.5 48.0 2.6 54.9 28 557 A R H >< S+ 0 0 115 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.899 112.6 50.9 -63.8 -41.3 51.6 1.5 55.5 29 558 A A H 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 111.0 49.9 -69.1 -26.1 51.3 1.4 59.3 30 559 A Q T 3< S+ 0 0 84 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.2 0.331 79.4 122.4 -93.7 0.7 48.1 -0.8 59.0 31 560 A R < + 0 0 107 -3,-1.0 -3,-0.0 -4,-0.3 -4,-0.0 -0.523 23.8 159.7 -65.7 127.8 49.7 -3.3 56.6 32 561 A R + 0 0 170 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.0 0.532 7.1 163.3-122.5 -19.0 49.5 -6.9 58.1 33 562 A G + 0 0 50 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 -0.021 12.9 144.4 29.8-108.0 49.9 -9.1 55.1 34 563 A G + 0 0 80 1,-0.1 2,-2.6 2,-0.0 -1,-0.2 -0.333 29.3 124.2 82.9 -48.2 50.7 -12.5 56.5 35 564 A R - 0 0 141 -2,-1.1 -1,-0.1 1,-0.1 -2,-0.1 -0.130 57.5-129.3 -69.7 51.4 48.8 -14.5 53.9 36 565 A G - 0 0 52 -2,-2.6 3,-0.1 1,-0.1 -1,-0.1 0.280 39.4 -51.7 72.6-173.7 51.2 -16.9 52.2 37 566 A R S S- 0 0 193 1,-0.3 242,-0.9 241,-0.1 2,-0.3 0.832 118.6 -4.1 -81.6 -37.8 52.3 -18.0 48.8 38 567 A S E -E 278 0B 85 240,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.951 63.6-168.8-145.9 172.5 48.8 -18.6 47.6 39 568 A A E -E 277 0B 23 238,-1.8 238,-2.3 -2,-0.3 2,-0.4 -0.981 5.5-157.7-157.8 150.4 45.2 -18.4 48.9 40 569 A A E -E 276 0B 84 -2,-0.3 2,-0.4 236,-0.2 236,-0.2 -0.996 9.1-166.4-137.7 143.4 41.8 -19.4 47.8 41 570 A S E +E 275 0B 18 234,-2.7 234,-2.4 -2,-0.4 -2,-0.0 -0.984 23.2 177.5-136.6 149.2 38.4 -18.2 48.9 42 571 A T + 0 0 119 -2,-0.4 -1,-0.1 232,-0.2 232,-0.0 0.403 69.2 88.5-123.2 -9.9 34.9 -19.3 48.6 43 572 A K S S- 0 0 145 232,-0.1 3,-0.1 1,-0.1 231,-0.1 0.619 85.7-133.7 -67.6 -20.7 33.3 -16.5 50.7 44 573 A E + 0 0 144 229,-0.5 2,-0.1 1,-0.2 230,-0.1 0.862 43.4 171.8 53.7 39.7 32.9 -14.1 47.8 45 574 A E - 0 0 68 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.459 37.8-109.4 -68.5 147.7 34.3 -11.4 50.1 46 575 A D - 0 0 58 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.436 42.6-177.9 -71.2 157.3 35.1 -8.1 48.5 47 576 A F - 0 0 19 -2,-0.1 -32,-3.3 -34,-0.0 2,-0.4 -0.975 31.1 -98.1-154.1 156.5 38.8 -7.3 48.0 48 577 A I E +B 14 0A 46 -2,-0.3 -34,-0.3 -34,-0.3 3,-0.1 -0.602 37.2 166.9 -82.5 132.6 40.8 -4.5 46.7 49 578 A D E + 0 0 6 -36,-2.1 260,-0.5 -2,-0.4 2,-0.4 0.425 63.4 51.1-121.8 2.4 42.1 -4.8 43.1 50 579 A Q E +B 13 0A 62 -37,-1.5 -37,-1.9 260,-0.1 2,-0.3 -0.998 56.4 171.6-138.8 138.2 43.2 -1.2 42.3 51 580 A L E +B 12 0A 36 -2,-0.4 2,-0.4 -39,-0.2 -39,-0.2 -0.978 3.1 177.9-146.7 126.0 45.5 0.9 44.3 52 581 A W E -B 11 0A 43 -41,-2.7 -41,-3.0 -2,-0.3 2,-0.5 -0.998 22.9-141.9-133.4 138.7 47.0 4.3 43.3 53 582 A L E +B 10 0A 69 -2,-0.4 2,-0.3 -43,-0.2 -43,-0.2 -0.852 43.8 152.0 -96.5 123.4 49.2 6.7 45.3 54 583 A V E -B 9 0A 8 -45,-3.0 -45,-2.9 -2,-0.5 2,-0.3 -0.933 49.0 -92.3-149.2 167.9 48.1 10.2 44.5 55 584 A N > - 0 0 44 -2,-0.3 3,-2.3 -47,-0.2 19,-0.2 -0.656 38.1-120.8 -81.0 142.2 47.9 13.7 45.7 56 585 A T T 3 S+ 0 0 31 -49,-0.4 19,-0.6 -2,-0.3 -1,-0.1 0.739 114.2 54.6 -52.1 -28.0 44.6 14.7 47.4 57 586 A H T 3 S+ 0 0 158 17,-0.1 -1,-0.3 18,-0.1 -2,-0.0 0.374 88.0 108.0 -88.7 -0.3 44.0 17.3 44.7 58 587 A D < - 0 0 9 -3,-2.3 16,-2.5 15,-0.1 17,-0.5 -0.216 61.8-134.6 -73.0 172.7 44.4 14.8 41.8 59 588 A T E -HI 73 107C 28 48,-3.0 48,-2.9 14,-0.3 2,-0.7 -0.965 6.0-132.3-128.9 144.1 41.4 13.6 39.7 60 589 A L E -HI 72 106C 3 12,-3.0 12,-2.4 -2,-0.3 2,-0.6 -0.889 18.7-149.0 -97.1 118.9 40.4 10.1 38.6 61 590 A L E -HI 71 105C 0 44,-3.2 44,-3.2 -2,-0.7 2,-0.5 -0.738 20.5-161.7 -89.9 117.7 39.6 10.2 34.9 62 591 A T E -HI 70 104C 2 8,-2.9 8,-2.3 -2,-0.6 2,-0.4 -0.912 6.4-159.7-120.3 126.5 37.0 7.6 34.5 63 592 A F E -HI 69 103C 0 40,-2.9 39,-3.2 -2,-0.5 40,-1.5 -0.770 6.5-148.1-113.6 143.4 36.0 5.9 31.3 64 593 A T E > - I 0 101C 0 4,-2.9 3,-2.0 -2,-0.4 37,-0.2 -0.660 28.4-111.8-110.4 151.1 32.9 4.1 30.3 65 594 A S T 3 S+ 0 0 4 35,-2.8 87,-2.5 1,-0.3 36,-0.1 0.746 117.5 55.9 -26.3 -49.0 31.8 1.1 28.1 66 595 A S T 3 S- 0 0 51 34,-0.2 -1,-0.3 85,-0.2 80,-0.3 0.285 125.0 -98.9 -88.9 11.6 30.0 3.7 25.9 67 596 A G S < S+ 0 0 1 -3,-2.0 76,-3.2 1,-0.3 77,-1.6 0.692 79.2 133.3 81.6 20.0 33.0 5.8 25.2 68 597 A K E - J 0 142C 56 74,-0.2 -4,-2.9 75,-0.2 2,-0.4 -0.710 41.1-150.1-103.6 159.4 32.3 8.5 27.9 69 598 A V E -HJ 63 141C 0 72,-2.1 72,-1.6 -2,-0.3 2,-0.3 -0.952 10.9-174.7-129.5 141.8 34.6 10.0 30.4 70 599 A F E -H 62 0C 9 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.5 -0.848 21.4-126.9-130.1 166.0 33.9 11.4 33.9 71 600 A W E -H 61 0C 5 -2,-0.3 -10,-0.2 66,-0.3 69,-0.1 -0.976 17.7-172.3-121.2 121.8 36.0 13.3 36.4 72 601 A L E -H 60 0C 2 -12,-2.4 -12,-3.0 -2,-0.5 2,-0.1 -0.880 18.6-142.9-116.0 99.3 36.2 12.1 39.9 73 602 A P E > -H 59 0C 27 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.405 11.9-138.0 -60.3 127.1 38.1 14.5 42.2 74 603 A V G > S+ 0 0 0 -16,-2.5 3,-1.4 1,-0.3 -17,-0.1 0.842 100.4 64.9 -57.5 -33.5 40.1 12.4 44.7 75 604 A H G 3 S+ 0 0 120 -19,-0.6 -1,-0.3 -17,-0.5 4,-0.1 0.784 93.0 61.9 -64.4 -23.6 39.2 14.8 47.5 76 605 A Q G < S+ 0 0 110 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.735 83.5 97.3 -73.5 -21.0 35.4 13.8 47.2 77 606 A L S < S- 0 0 2 -3,-1.4 2,-0.2 -4,-0.5 -57,-0.1 -0.377 86.0-104.2 -69.5 150.0 36.2 10.2 48.1 78 607 A P - 0 0 35 0, 0.0 -57,-2.1 0, 0.0 2,-0.6 -0.511 26.7-123.3 -78.1 148.0 35.6 9.3 51.7 79 608 A E B +d 21 0A 126 -59,-0.2 2,-0.3 -2,-0.2 -57,-0.2 -0.733 49.9 143.8 -85.9 119.6 38.5 8.9 54.1 80 609 A A - 0 0 22 -59,-2.1 -60,-0.0 -2,-0.6 0, 0.0 -0.992 42.4-114.5-161.2 158.6 38.6 5.5 55.7 81 610 A G > - 0 0 19 -2,-0.3 3,-1.5 1,-0.1 -54,-0.1 0.000 49.6 -88.6 -74.3 177.4 40.5 2.6 57.0 82 611 A S T 3 S+ 0 0 64 1,-0.2 -1,-0.1 -55,-0.0 -60,-0.0 0.443 125.1 65.2 -65.7 -2.0 40.7 -1.1 55.8 83 612 A N T 3 S+ 0 0 145 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.615 95.7 56.9 -95.3 -19.4 37.8 -1.6 58.2 84 613 A A S < S- 0 0 47 -3,-1.5 -4,-0.1 1,-0.1 -64,-0.0 -0.837 73.5-141.6-116.2 148.8 35.2 0.6 56.3 85 614 A R - 0 0 153 -2,-0.3 2,-0.2 1,-0.2 -71,-0.2 0.786 27.3-147.7 -93.3 -16.2 34.3 0.1 52.7 86 615 A G - 0 0 21 -68,-0.1 -1,-0.2 -7,-0.1 -66,-0.2 -0.627 36.9 -46.8 87.9-153.4 33.9 3.6 51.3 87 616 A R E -C 19 0A 142 -68,-2.4 -68,-3.2 -2,-0.2 -70,-0.0 -0.925 55.7 -95.9-126.5 146.3 31.5 4.5 48.5 88 617 A P E > -C 18 0A 35 0, 0.0 3,-2.0 0, 0.0 -70,-0.2 -0.330 28.1-137.8 -52.8 128.4 30.5 3.0 45.1 89 618 A I G > S+ 0 0 11 -72,-2.4 3,-2.1 1,-0.3 4,-0.2 0.788 102.7 71.6 -57.5 -25.6 32.5 4.8 42.5 90 619 A I G 3 S+ 0 0 93 -73,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.555 73.7 84.3 -70.1 -3.8 29.3 4.7 40.4 91 620 A N G < S+ 0 0 95 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.721 103.3 33.4 -62.2 -21.4 28.1 7.4 42.9 92 621 A W S < S+ 0 0 56 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.404 110.9 70.0-111.0 -1.1 30.0 9.6 40.5 93 622 A I - 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