==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-JUN-10 3NO0 . COMPND 2 MOLECULE: DNA GYRASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR E.M.TRETTER,J.C.LERMAN,J.M.BERGER . 827 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 35.8 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 . 18 2.2 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 . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.2 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+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 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 RESIDUES PER ALPHA HELIX . 8 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 PARALLEL BRIDGES PER LADDER . 0 14 3 1 17 6 9 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 3 10 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 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 1 494 A G 0 0 85 0, 0.0 33,-2.3 0, 0.0 34,-0.4 0.000 360.0 360.0 360.0-149.7 26.3 -12.9 85.1 2 495 A S E -A 33 0A 56 31,-0.3 2,-0.4 32,-0.1 29,-0.1 -0.986 360.0-150.2-157.2 155.8 29.7 -11.3 84.8 3 496 A I E -A 32 0A 33 29,-1.9 29,-2.8 -2,-0.3 2,-0.7 -0.999 17.4-134.2-132.4 136.2 33.0 -11.1 86.6 4 497 A T E -A 31 0A 51 -2,-0.4 12,-2.1 27,-0.3 2,-0.4 -0.821 35.2-179.3 -90.2 115.3 35.5 -8.2 86.5 5 498 A V E -AB 30 15A 0 25,-2.8 25,-2.6 -2,-0.7 2,-0.4 -0.880 28.2-135.6-120.3 146.9 39.1 -9.6 86.1 6 499 A A E -AB 29 14A 0 8,-3.0 8,-2.4 -2,-0.4 2,-0.5 -0.828 18.7-150.9 -88.2 136.3 42.6 -8.3 85.9 7 500 A V E -AB 28 13A 0 21,-2.9 20,-3.4 -2,-0.4 21,-1.3 -0.951 17.4-156.0-107.0 124.8 44.7 -9.9 83.1 8 501 A L E > -A 26 0A 2 4,-2.7 3,-2.1 -2,-0.5 18,-0.2 -0.634 28.4-107.7-104.5 165.5 48.4 -9.9 84.0 9 502 A Q T 3 S+ 0 0 45 16,-2.7 61,-2.6 1,-0.3 17,-0.1 0.735 116.3 57.5 -64.8 -23.8 51.5 -10.1 81.9 10 503 A D T 3 S- 0 0 49 15,-0.2 -1,-0.3 59,-0.2 53,-0.2 0.347 124.8 -97.0 -88.2 6.9 52.2 -13.7 82.9 11 504 A G S < S+ 0 0 0 -3,-2.1 50,-2.1 1,-0.3 -2,-0.1 0.415 75.6 145.5 90.3 1.9 48.8 -14.9 81.7 12 505 A S E - C 0 60A 13 48,-0.3 -4,-2.7 46,-0.0 2,-0.4 -0.439 31.8-164.2 -69.6 144.2 47.0 -14.8 85.1 13 506 A I E +BC 7 59A 0 46,-2.7 46,-2.1 -6,-0.2 -6,-0.2 -0.980 21.7 164.8-130.9 113.9 43.4 -13.9 85.1 14 507 A I E -B 6 0A 30 -8,-2.4 -8,-3.0 -2,-0.4 44,-0.1 -0.997 46.4 -99.1-138.7 130.9 42.2 -13.0 88.6 15 508 A P E > -B 5 0A 4 0, 0.0 3,-2.4 0, 0.0 -10,-0.3 -0.251 42.8-121.1 -46.6 136.6 39.1 -11.2 89.9 16 509 A V G > S+ 0 0 49 -12,-2.1 3,-1.2 1,-0.3 -11,-0.1 0.846 110.1 53.4 -61.0 -36.0 40.3 -7.6 90.5 17 510 A E G 3 S+ 0 0 144 -13,-0.3 -1,-0.3 1,-0.2 -12,-0.1 0.495 105.8 57.2 -76.7 -1.4 39.5 -7.6 94.2 18 511 A E G < S+ 0 0 121 -3,-2.4 -1,-0.2 2,-0.0 -2,-0.2 0.179 71.6 135.2-111.6 16.3 41.6 -10.8 94.7 19 512 A L < - 0 0 45 -3,-1.2 4,-0.1 -4,-0.1 2,-0.1 -0.462 49.8-134.0 -68.9 130.7 44.9 -9.5 93.3 20 513 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.339 17.0-112.0 -80.2 169.8 47.8 -10.6 95.5 21 514 A L S S+ 0 0 155 1,-0.1 2,-0.6 -2,-0.1 -2,-0.0 0.906 108.0 53.6 -66.2 -44.8 50.6 -8.3 96.7 22 515 A E S S+ 0 0 162 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.855 82.1 125.7 -96.0 117.0 53.2 -10.2 94.6 23 516 A K - 0 0 68 -2,-0.6 3,-0.1 -4,-0.1 -4,-0.0 -0.992 61.1 -91.0-161.0 161.8 52.1 -10.4 91.0 24 517 A A - 0 0 21 -2,-0.3 210,-0.0 1,-0.1 209,-0.0 -0.421 64.0 -80.5 -70.6 158.0 53.0 -9.7 87.4 25 518 A P - 0 0 25 0, 0.0 -16,-2.7 0, 0.0 2,-0.3 -0.221 49.3-103.3 -63.4 155.0 52.0 -6.3 86.0 26 519 A V E -A 8 0A 1 206,-0.4 -18,-0.3 210,-0.3 242,-0.1 -0.526 30.3-177.9 -80.0 137.9 48.4 -5.7 84.9 27 520 A V E - 0 0 7 -20,-3.4 2,-0.3 1,-0.5 -19,-0.2 0.797 68.0 -24.4 -98.4 -43.7 47.6 -5.6 81.2 28 521 A N E -A 7 0A 15 -21,-1.3 -21,-2.9 44,-0.1 -1,-0.5 -0.969 48.7-135.1-162.1 163.9 43.9 -4.8 81.4 29 522 A I E +A 6 0A 31 -2,-0.3 2,-0.4 -23,-0.2 -23,-0.2 -0.998 32.1 179.3-127.7 124.5 40.9 -5.1 83.6 30 523 A L E -A 5 0A 21 -25,-2.6 -25,-2.8 -2,-0.4 2,-0.9 -0.982 32.5-135.7-136.0 137.0 37.7 -6.3 82.0 31 524 A R E -A 4 0A 158 -2,-0.4 -27,-0.3 -27,-0.3 44,-0.0 -0.827 34.9-164.0 -91.2 107.0 34.2 -7.0 83.0 32 525 A V E -A 3 0A 0 -29,-2.8 -29,-1.9 -2,-0.9 6,-0.1 -0.815 13.4-139.7-105.6 114.1 33.6 -10.3 81.3 33 526 A P E > -A 2 0A 34 0, 0.0 3,-1.9 0, 0.0 19,-0.4 -0.414 25.4-120.2 -63.5 149.1 30.0 -11.7 80.8 34 527 A F T 3 S+ 0 0 65 -33,-2.3 18,-0.2 1,-0.3 -32,-0.1 0.728 112.4 56.0 -66.2 -19.8 29.9 -15.5 81.4 35 528 A T T 3 S+ 0 0 128 -34,-0.4 -1,-0.3 16,-0.1 2,-0.2 0.442 98.7 79.5 -88.8 -1.7 28.7 -16.0 77.8 36 529 A E S < S- 0 0 39 -3,-1.9 2,-0.5 40,-0.0 16,-0.5 -0.633 77.1-112.2-113.5 164.7 31.6 -14.1 76.2 37 530 A G - 0 0 0 -2,-0.2 39,-2.6 14,-0.1 2,-0.6 -0.826 15.5-153.0 -99.3 129.0 35.2 -14.9 75.3 38 531 A L E -DE 50 75B 0 12,-2.7 12,-1.9 -2,-0.5 2,-0.4 -0.897 19.1-163.3 -97.9 120.3 38.2 -13.3 76.9 39 532 A F E -DE 49 74B 0 35,-3.1 35,-2.3 -2,-0.6 2,-0.4 -0.852 8.9-167.1-111.0 137.6 41.1 -13.2 74.5 40 533 A L E -DE 48 73B 0 8,-2.9 8,-2.7 -2,-0.4 2,-0.4 -0.973 4.0-161.5-119.6 136.1 44.8 -12.7 75.4 41 534 A V E -DE 47 72B 0 31,-2.5 30,-3.0 -2,-0.4 31,-1.2 -0.978 13.0-151.6-120.3 133.9 47.5 -11.9 72.8 42 535 A S E > - E 0 70B 0 4,-2.5 3,-2.0 -2,-0.4 28,-0.3 -0.487 31.2-105.5-101.6 171.1 51.2 -12.4 73.6 43 536 A N T 3 S+ 0 0 5 26,-2.6 75,-2.5 1,-0.3 27,-0.1 0.668 120.4 61.5 -65.3 -18.3 54.4 -10.9 72.5 44 537 A R T 3 S- 0 0 68 25,-0.3 -1,-0.3 73,-0.2 66,-0.2 0.389 120.4-110.1 -85.5 3.9 55.0 -14.1 70.5 45 538 A G S < S+ 0 0 0 -3,-2.0 64,-2.6 1,-0.3 65,-0.3 0.738 73.4 141.5 71.4 22.7 51.9 -13.3 68.5 46 539 A R E - F 0 108B 71 62,-0.2 -4,-2.5 63,-0.1 2,-0.4 -0.716 42.3-140.7 -99.5 148.4 50.0 -16.2 70.1 47 540 A V E +DF 41 107B 4 60,-1.9 59,-2.1 -2,-0.3 60,-0.8 -0.921 19.0 177.5-114.1 133.6 46.4 -16.2 71.2 48 541 A Y E -D 40 0B 1 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.3 -0.910 6.6-176.8-125.8 155.5 44.8 -17.6 74.3 49 542 A W E -D 39 0B 65 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.995 10.4-177.0-156.0 150.3 41.2 -17.5 75.5 50 543 A I E -D 38 0B 23 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.3 -0.925 6.0-170.9-135.3 164.5 38.9 -18.5 78.3 51 544 A A + 0 0 46 -2,-0.3 4,-0.4 -14,-0.2 -14,-0.1 -0.990 38.0 40.5-152.9 152.6 35.2 -18.2 79.0 52 545 A G S > S- 0 0 18 -16,-0.5 4,-2.2 -19,-0.4 5,-0.2 0.069 81.9 -76.3 97.3 160.3 32.7 -18.8 81.9 53 546 A S H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.875 121.4 55.0 -63.4 -43.3 32.5 -18.1 85.6 54 547 A Q H 4 S+ 0 0 166 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.933 113.1 42.8 -59.8 -45.0 34.8 -21.0 86.8 55 548 A A H >4 S+ 0 0 22 -4,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.897 111.9 53.9 -67.2 -39.3 37.6 -19.8 84.6 56 549 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 95.4 68.7 -68.8 -23.3 37.1 -16.1 85.5 57 550 A Q T 3< S- 0 0 116 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.685 128.9 -32.7 -70.1 -14.2 37.3 -16.9 89.2 58 551 A G S < S+ 0 0 42 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 -0.343 74.9 150.6 156.7 123.1 40.9 -17.7 88.6 59 552 A S E -C 13 0A 38 -46,-2.1 -46,-2.7 -3,-0.2 2,-0.3 -0.965 25.2-154.1-152.2 163.5 43.0 -19.0 85.8 60 553 A K E -C 12 0A 136 -2,-0.3 -48,-0.3 -48,-0.3 -49,-0.1 -0.905 26.0-131.1-146.1 118.2 46.5 -18.8 84.3 61 554 A V - 0 0 15 -50,-2.1 2,-1.0 -2,-0.3 -11,-0.0 -0.376 22.8-116.9 -68.3 149.9 46.9 -19.6 80.6 62 555 A S - 0 0 93 -2,-0.0 -1,-0.1 2,-0.0 -51,-0.1 -0.738 31.9-146.3 -92.6 99.7 49.7 -22.0 79.7 63 556 A L - 0 0 42 -2,-1.0 3,-0.0 -53,-0.2 42,-0.0 -0.240 4.1-144.2 -68.1 150.8 52.1 -20.0 77.6 64 557 A K S S+ 0 0 118 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.642 73.3 51.3 -92.3 -12.5 53.9 -21.8 74.8 65 558 A S S > S- 0 0 46 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.934 84.0-104.4-135.2 144.1 57.2 -20.1 74.9 66 559 A R T 3 S+ 0 0 213 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.374 108.7 12.2 -58.3 140.5 60.0 -19.1 77.4 67 560 A E T 3 S+ 0 0 147 1,-0.2 -1,-0.2 -2,-0.0 2,-0.1 0.528 90.6 151.5 66.1 6.5 59.8 -15.4 78.3 68 561 A E < - 0 0 13 -3,-1.5 2,-0.3 -58,-0.1 -1,-0.2 -0.399 20.4-177.7 -64.2 142.8 56.4 -15.0 76.6 69 562 A K - 0 0 79 -2,-0.1 -26,-2.6 -58,-0.0 2,-0.3 -0.986 30.4-106.3-143.4 152.2 54.2 -12.2 78.0 70 563 A I E +E 42 0B 1 -61,-2.6 -28,-0.3 -2,-0.3 3,-0.1 -0.644 30.2 177.1 -80.3 132.6 50.7 -11.0 77.4 71 564 A V E + 0 0 9 -30,-3.0 50,-0.3 -2,-0.3 2,-0.3 0.412 64.2 6.4-117.5 -3.8 50.6 -7.6 75.6 72 565 A G E -E 41 0B 8 -31,-1.2 -31,-2.5 48,-0.1 -1,-0.3 -0.949 54.3-165.6-169.5 159.8 46.8 -7.1 75.2 73 566 A A E +E 40 0B 8 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.994 13.0 168.5-150.1 145.8 43.5 -8.6 76.1 74 567 A F E -E 39 0B 9 -35,-2.3 -35,-3.1 -2,-0.3 2,-0.5 -0.983 37.8-111.9-153.8 158.1 39.9 -8.0 74.9 75 568 A I E > -E 38 0B 9 -2,-0.3 3,-1.7 -37,-0.2 -37,-0.2 -0.875 29.7-142.8 -93.3 125.7 36.4 -9.4 75.1 76 569 A R G > S+ 0 0 30 -39,-2.6 3,-2.2 -2,-0.5 -1,-0.2 0.922 97.7 52.2 -56.5 -48.4 35.6 -10.8 71.6 77 570 A E G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -40,-0.3 -39,-0.1 0.429 111.7 48.7 -77.3 2.8 32.0 -9.8 71.6 78 571 A K G < S+ 0 0 150 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.164 102.5 81.6-116.4 13.2 33.0 -6.2 72.4 79 572 A F S < S- 0 0 37 -3,-2.2 4,-0.1 1,-0.2 -5,-0.0 -0.703 82.4 -96.8-117.4 164.4 35.8 -6.0 69.8 80 573 A G - 0 0 21 -2,-0.2 -1,-0.2 2,-0.2 45,-0.1 -0.041 35.9-107.3 -68.2 179.7 35.9 -5.3 66.0 81 574 A N S S+ 0 0 121 43,-0.2 16,-2.3 1,-0.1 17,-0.5 0.524 102.0 53.4 -89.2 -5.5 36.0 -7.9 63.3 82 575 A R E S-G 96 0C 105 42,-0.3 42,-2.7 14,-0.3 2,-0.4 -0.997 71.1-148.5-132.5 137.1 39.6 -7.2 62.5 83 576 A L E -GH 95 123C 0 12,-2.8 12,-2.6 -2,-0.4 2,-0.4 -0.856 5.9-153.5-102.7 134.8 42.7 -7.2 64.8 84 577 A L E -GH 94 122C 1 38,-3.0 38,-2.0 -2,-0.4 2,-0.4 -0.890 10.0-168.0-101.5 136.2 45.7 -5.0 64.3 85 578 A L E -GH 93 121C 0 8,-2.4 8,-2.2 -2,-0.4 2,-0.4 -0.987 3.5-161.8-121.1 138.4 49.1 -6.1 65.7 86 579 A A E -GH 92 120C 1 34,-2.6 33,-2.9 -2,-0.4 34,-1.5 -0.956 11.1-151.8-116.3 140.4 52.2 -3.9 65.9 87 580 A T E > - H 0 118C 0 4,-2.4 3,-2.1 -2,-0.4 31,-0.3 -0.736 26.7-113.3-112.5 158.3 55.7 -5.3 66.4 88 581 A K T 3 S+ 0 0 48 29,-2.9 80,-2.7 1,-0.3 30,-0.1 0.840 116.3 54.1 -50.0 -41.7 58.8 -4.0 67.9 89 582 A K T 3 S- 0 0 77 28,-0.3 73,-0.3 78,-0.2 -1,-0.3 0.397 126.4 -97.0 -83.4 3.4 60.6 -3.8 64.6 90 583 A G S < S+ 0 0 0 -3,-2.1 69,-2.9 1,-0.3 70,-1.0 0.588 75.0 140.9 99.5 6.5 57.8 -1.6 63.1 91 584 A Y E - 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