==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-OCT-11 3UC1 . COMPND 2 MOLECULE: DNA GYRASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.M.TRETTER,J.M.BERGER . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 32.7 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 . 6 2.0 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 0 5 0 0 8 3 1 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 2 3 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 1 512 A N 0 0 166 0, 0.0 2,-0.6 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -31.8 7.1 42.7 10.8 2 513 A A + 0 0 73 43,-0.1 2,-0.3 42,-0.1 42,-0.0 -0.684 360.0 160.1 -80.3 118.7 8.1 45.4 13.3 3 514 A E - 0 0 68 -2,-0.6 42,-2.3 17,-0.0 2,-0.4 -0.965 44.5-107.5-137.8 153.1 8.8 43.8 16.6 4 515 A D E +A 44 0A 107 -2,-0.3 16,-1.9 40,-0.2 2,-0.3 -0.685 47.9 176.9 -77.6 134.1 10.6 44.7 19.8 5 516 A V E -AB 43 19A 0 38,-2.9 38,-2.7 -2,-0.4 2,-0.5 -0.947 33.9-128.2-137.7 156.0 13.8 42.6 20.1 6 517 A V E -AB 42 18A 7 12,-2.8 12,-2.0 -2,-0.3 2,-0.5 -0.944 27.2-152.7 -99.6 122.3 16.9 42.1 22.3 7 518 A V E -AB 41 17A 0 34,-3.1 34,-1.8 -2,-0.5 2,-0.4 -0.860 14.0-175.6 -95.1 130.0 20.0 42.2 20.2 8 519 A T E -AB 40 16A 6 8,-2.2 8,-2.0 -2,-0.5 2,-0.5 -0.994 10.7-177.5-127.3 132.8 23.0 40.3 21.6 9 520 A I E -AB 39 15A 1 30,-2.4 29,-2.0 -2,-0.4 30,-1.9 -0.991 23.5-138.3-126.0 119.7 26.5 40.2 20.1 10 521 A T E > -A 37 0A 19 4,-2.8 3,-1.6 -2,-0.5 27,-0.3 -0.301 21.9-115.3 -73.9 161.8 29.0 38.0 21.9 11 522 A E T 3 S+ 0 0 109 25,-2.5 26,-0.1 1,-0.3 -1,-0.1 0.830 119.6 62.8 -61.5 -30.6 32.6 38.9 22.6 12 523 A T T 3 S- 0 0 60 24,-0.4 -1,-0.3 22,-0.3 25,-0.1 0.556 125.1-105.6 -71.9 -8.8 33.4 36.0 20.2 13 524 A G S < S+ 0 0 9 -3,-1.6 65,-2.9 1,-0.3 2,-0.4 0.618 72.1 137.7 99.2 18.1 31.6 38.0 17.5 14 525 A Y E - C 0 77A 51 63,-0.2 -4,-2.8 64,-0.1 2,-0.4 -0.817 32.5-161.8-102.7 134.7 28.3 36.2 17.0 15 526 A A E +BC 9 76A 0 61,-3.0 61,-2.1 -2,-0.4 2,-0.3 -0.870 17.9 152.1-119.2 142.8 25.1 38.3 16.6 16 527 A K E -B 8 0A 16 -8,-2.0 -8,-2.2 -2,-0.4 2,-0.3 -0.974 29.6-134.3-154.2 165.3 21.4 37.4 16.9 17 528 A R E -Bd 7 68A 38 50,-2.4 52,-1.5 -2,-0.3 2,-0.4 -0.938 15.6-166.7-119.5 152.5 18.1 39.0 17.8 18 529 A T E -B 6 0A 2 -12,-2.0 -12,-2.8 -2,-0.3 52,-0.1 -0.992 31.8-107.9-137.6 128.4 15.4 37.6 20.1 19 530 A K E > -B 5 0A 61 -2,-0.4 4,-2.6 -14,-0.2 -14,-0.3 -0.261 35.6-121.7 -49.4 140.1 11.8 38.7 20.4 20 531 A T H > S+ 0 0 44 -16,-1.9 4,-2.4 1,-0.2 5,-0.2 0.863 109.5 52.0 -63.4 -35.4 11.6 40.5 23.8 21 532 A D H > S+ 0 0 117 -17,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.931 112.6 45.4 -67.1 -39.4 8.9 38.2 25.2 22 533 A L H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.896 110.8 54.7 -67.5 -42.0 10.9 35.1 24.3 23 534 A Y H X S+ 0 0 34 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.950 110.8 44.0 -55.2 -51.1 14.0 36.7 25.7 24 535 A R H >< S+ 0 0 175 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.921 111.5 55.4 -58.5 -44.3 12.4 37.3 29.1 25 536 A S H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.5 50.1 -59.8 -33.2 10.8 33.8 29.0 26 537 A Q H 3< 0 0 80 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.501 360.0 360.0 -92.2 -1.7 14.2 32.2 28.6 27 538 A K << 0 0 172 -3,-1.4 -3,-0.1 -4,-0.5 -2,-0.1 0.636 360.0 360.0 16.4 360.0 15.8 34.1 31.5 28 ! 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 29 547 A A 0 0 150 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.0 25.9 26.9 36.3 30 548 A G - 0 0 50 1,-0.1 2,-0.0 234,-0.0 234,-0.0 -0.482 360.0 -99.1 -69.2 139.2 29.3 28.4 36.4 31 549 A L - 0 0 59 234,-0.3 2,-0.4 -2,-0.2 234,-0.2 -0.330 36.6-148.2 -62.7 138.7 29.8 31.4 34.0 32 550 A K > - 0 0 119 1,-0.1 3,-1.4 232,-0.1 4,-0.4 -0.907 14.7-137.2-114.2 136.3 31.5 30.6 30.7 33 551 A Q G > S+ 0 0 62 230,-0.6 3,-1.5 -2,-0.4 -22,-0.2 0.841 103.0 63.5 -58.1 -36.3 33.7 32.9 28.8 34 552 A D G 3 S+ 0 0 123 1,-0.3 -22,-0.3 -23,-0.1 -1,-0.3 0.764 100.0 54.4 -60.2 -24.6 32.0 31.9 25.5 35 553 A D G < S+ 0 0 116 -3,-1.4 -1,-0.3 -25,-0.1 -2,-0.2 0.517 76.3 124.2 -89.6 -6.1 28.7 33.3 26.7 36 554 A I < - 0 0 13 -3,-1.5 -25,-2.5 -4,-0.4 2,-0.5 -0.357 55.2-142.8 -57.6 127.1 30.1 36.8 27.5 37 555 A V E -A 10 0A 42 262,-0.3 262,-0.4 -27,-0.3 -27,-0.3 -0.842 17.6-173.2-100.0 123.3 28.0 39.4 25.6 38 556 A A E S+ 0 0 36 -29,-2.0 2,-0.4 -2,-0.5 -28,-0.2 0.786 75.9 24.6 -82.6 -32.8 29.9 42.4 24.2 39 557 A H E +A 9 0A 34 -30,-1.9 -30,-2.4 53,-0.1 2,-0.4 -0.998 66.5 168.7-142.0 132.3 26.9 44.4 23.0 40 558 A F E +A 8 0A 68 -2,-0.4 2,-0.3 -32,-0.2 -32,-0.2 -0.976 9.4 146.0-147.6 124.3 23.3 44.2 24.3 41 559 A F E -A 7 0A 13 -34,-1.8 -34,-3.1 -2,-0.4 2,-0.5 -0.997 39.9-122.6-157.8 163.4 20.3 46.4 23.7 42 560 A V E +A 6 0A 95 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.2 -0.892 50.5 130.5-105.7 129.7 16.6 46.5 23.3 43 561 A C E -A 5 0A 11 -38,-2.7 -38,-2.9 -2,-0.5 2,-0.3 -0.872 55.1 -73.1-158.5-175.3 15.3 48.0 20.0 44 562 A S E > -A 4 0A 27 -2,-0.3 3,-1.7 -40,-0.2 19,-0.3 -0.729 37.7-120.9 -88.4 149.5 13.0 47.6 17.1 45 563 A T T 3 S+ 0 0 0 -42,-2.3 19,-2.2 -2,-0.3 18,-0.3 0.793 116.8 52.3 -50.2 -31.7 13.7 45.1 14.3 46 564 A H T 3 S+ 0 0 68 -43,-0.2 -1,-0.2 17,-0.2 2,-0.1 0.363 85.2 106.5 -98.1 6.9 13.6 48.1 12.0 47 565 A D S < S- 0 0 25 -3,-1.7 16,-2.1 1,-0.1 2,-0.3 -0.429 73.7-111.3 -72.8 160.9 16.1 50.2 14.0 48 566 A L E -EF 62 96B 20 48,-2.0 48,-2.7 14,-0.2 2,-0.5 -0.718 20.8-156.1 -94.7 144.4 19.6 50.7 12.6 49 567 A I E -EF 61 95B 0 12,-3.0 12,-1.8 -2,-0.3 2,-0.6 -0.987 7.9-153.3-119.9 119.2 22.8 49.2 14.1 50 568 A L E -EF 60 94B 2 44,-3.1 44,-2.4 -2,-0.5 2,-0.7 -0.840 5.2-161.1 -93.7 122.0 26.1 50.9 13.3 51 569 A F E -EF 59 93B 0 8,-3.1 8,-2.4 -2,-0.6 2,-0.5 -0.907 4.5-163.3-104.1 110.8 29.1 48.7 13.4 52 570 A F E -EF 58 92B 1 40,-3.0 39,-3.3 -2,-0.7 40,-1.7 -0.811 13.5-152.0 -95.2 130.9 32.3 50.7 13.8 53 571 A T E > - F 0 90B 0 4,-2.5 3,-2.0 -2,-0.5 37,-0.2 -0.615 27.2-111.6-105.9 166.4 35.4 48.6 12.9 54 572 A T T 3 S+ 0 0 21 35,-2.2 87,-2.4 1,-0.3 36,-0.1 0.730 117.4 61.4 -64.6 -21.9 39.0 48.7 14.0 55 573 A Q T 3 S- 0 0 70 34,-0.3 -1,-0.3 85,-0.2 80,-0.2 0.309 122.2-105.6 -91.5 9.0 39.9 49.8 10.5 56 574 A G S < S+ 0 0 1 -3,-2.0 76,-3.1 1,-0.3 77,-1.3 0.729 78.1 126.2 80.5 22.3 37.8 53.0 10.9 57 575 A R E - G 0 131B 69 74,-0.2 -4,-2.5 75,-0.2 2,-0.4 -0.690 48.2-143.6-101.8 162.4 34.8 52.0 8.7 58 576 A V E -EG 52 130B 6 72,-2.5 72,-2.4 -2,-0.2 2,-0.4 -0.992 11.9-170.5-129.3 127.9 31.1 51.9 9.7 59 577 A Y E -E 51 0B 8 -8,-2.4 -8,-3.1 -2,-0.4 2,-0.4 -0.948 11.7-152.6-110.4 133.4 28.8 49.2 8.4 60 578 A R E +E 50 0B 89 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.848 17.5 169.9-110.8 147.7 25.0 49.6 9.0 61 579 A A E -E 49 0B 7 -12,-1.8 -12,-3.0 -2,-0.4 2,-0.2 -0.983 34.6-115.0-143.7 153.1 22.4 46.9 9.3 62 580 A K E > -E 48 0B 68 -2,-0.3 3,-1.9 -14,-0.2 4,-0.4 -0.632 34.1-116.4 -78.8 151.9 18.8 46.8 10.3 63 581 A A G > S+ 0 0 0 -16,-2.1 3,-1.9 -19,-0.3 -17,-0.2 0.875 116.8 62.9 -57.7 -31.9 18.2 44.7 13.5 64 582 A Y G 3 S+ 0 0 83 -19,-2.2 -1,-0.3 1,-0.3 4,-0.1 0.686 86.9 71.9 -70.2 -12.2 16.2 42.3 11.3 65 583 A D G < S+ 0 0 80 -3,-1.9 -1,-0.3 -20,-0.2 -2,-0.2 0.653 83.6 85.0 -71.2 -17.2 19.3 41.6 9.3 66 584 A L S < S- 0 0 0 -3,-1.9 -50,-0.1 -4,-0.4 -49,-0.1 -0.677 92.9-107.9 -81.2 139.9 20.5 39.7 12.4 67 585 A P - 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