==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-SEP-02 1MU5 . COMPND 2 MOLECULE: TYPE II DNA TOPOISOMERASE VI SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SHIBATAE; . AUTHOR K.D.CORBETT,J.M.BERGER . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 25 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 1 1 2 1 0 1 2 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 3 0 2 1 2 1 2 0 2 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 0 1 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 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 10 A L 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 42.6 57.9 14.8 2 11 A S > - 0 0 43 1,-0.1 4,-2.9 85,-0.0 5,-0.3 -0.435 360.0-106.8 -83.1 155.6 39.3 57.1 13.2 3 12 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.878 121.5 51.5 -47.3 -38.6 36.0 58.5 14.6 4 13 A A H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.939 111.7 43.2 -68.4 -47.5 35.2 55.2 15.9 5 14 A E H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 113.2 52.3 -68.0 -38.2 38.5 54.6 17.7 6 15 A F H X S+ 0 0 101 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.917 109.3 51.7 -61.1 -41.3 38.5 58.1 19.1 7 16 A F H < S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.938 107.2 52.0 -57.8 -49.3 34.9 57.5 20.4 8 17 A K H < S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.1 39.9 -59.1 -39.0 36.0 54.3 22.1 9 18 A R H < S+ 0 0 167 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.725 128.3 31.6 -82.0 -23.6 38.9 56.0 23.9 10 19 A N >< + 0 0 44 -4,-1.9 3,-1.9 -5,-0.2 4,-0.3 -0.348 65.0 149.6-133.2 57.1 37.0 59.2 24.6 11 20 A P G > >S+ 0 0 24 0, 0.0 5,-2.3 0, 0.0 3,-1.9 0.829 71.2 65.7 -61.2 -32.7 33.3 58.2 25.2 12 21 A E G 3 5S+ 0 0 87 1,-0.3 3,-0.4 5,-0.2 -5,-0.1 0.660 98.9 53.8 -64.5 -16.2 32.8 61.1 27.6 13 22 A L G < 5S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.2 405,-0.2 0.496 107.2 51.3 -94.5 -6.9 33.4 63.5 24.7 14 23 A A T < 5S- 0 0 15 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.147 126.0 -89.1-117.2 15.2 30.7 62.0 22.6 15 24 A G T 5S+ 0 0 0 -3,-0.4 10,-0.3 -4,-0.1 -3,-0.2 0.497 105.8 96.7 92.5 4.5 27.8 62.0 25.0 16 25 A F < + 0 0 3 -5,-2.3 -4,-0.2 -6,-0.1 -3,-0.2 -0.438 31.0 136.2-124.5 58.7 28.6 58.6 26.5 17 26 A P S S- 0 0 55 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.760 79.6 -5.9 -75.5 -26.4 30.5 59.2 29.8 18 27 A N S > S- 0 0 68 -3,-0.2 4,-2.4 -7,-0.1 5,-0.1 -0.933 83.6 -87.7-158.1 169.6 28.6 56.7 31.8 19 28 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 151,-0.6 0.838 120.2 56.9 -57.7 -37.1 25.5 54.4 31.5 20 29 A A H > S+ 0 0 11 149,-0.3 4,-2.1 2,-0.2 150,-0.2 0.929 114.0 38.5 -59.9 -47.6 23.0 57.1 32.6 21 30 A R H > S+ 0 0 32 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.864 112.6 58.6 -70.7 -35.8 24.0 59.4 29.9 22 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 108.4 45.6 -56.9 -43.3 24.4 56.5 27.5 23 32 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.934 114.9 46.5 -67.8 -47.4 20.8 55.6 28.0 24 33 A Y H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.886 114.9 47.8 -60.0 -41.7 19.7 59.2 27.7 25 34 A Q H X S+ 0 0 2 -4,-3.3 4,-2.9 -10,-0.3 -2,-0.2 0.864 108.3 53.0 -70.5 -38.4 21.8 59.7 24.5 26 35 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.926 109.0 50.9 -62.7 -44.2 20.6 56.5 22.8 27 36 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.940 112.6 45.7 -59.5 -47.7 17.1 57.6 23.3 28 37 A R H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.928 109.4 53.5 -65.2 -40.7 17.8 61.0 21.8 29 38 A E H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 74,-0.2 0.916 113.3 44.9 -59.8 -41.8 19.7 59.6 18.8 30 39 A L H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 114.4 46.2 -69.1 -44.1 16.8 57.3 18.0 31 40 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.929 112.7 52.4 -64.3 -42.5 14.1 59.9 18.4 32 41 A E H X S+ 0 0 2 -4,-3.1 4,-2.2 -5,-0.3 64,-0.2 0.915 109.8 46.6 -60.4 -43.1 16.1 62.3 16.4 33 42 A N H X S+ 0 0 65 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.896 111.5 53.0 -64.8 -38.7 16.6 59.9 13.4 34 43 A S H < S+ 0 0 6 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.866 109.8 47.6 -66.3 -36.0 12.9 59.0 13.5 35 44 A L H >X>S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 3,-1.1 0.902 112.2 48.9 -69.0 -42.4 11.9 62.7 13.3 36 45 A D H 3<5S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.733 109.5 54.8 -68.9 -21.3 14.3 63.3 10.5 37 46 A A T 3<5S+ 0 0 21 -4,-1.5 33,-2.0 -5,-0.2 -1,-0.3 0.550 121.1 27.2 -86.3 -7.6 12.9 60.2 8.8 38 47 A T T X4>S+ 0 0 0 -3,-1.1 5,-2.3 -4,-0.3 3,-1.6 0.751 120.2 36.1-115.3 -72.4 9.3 61.6 9.0 39 48 A D G ><5S+ 0 0 4 -4,-1.3 3,-1.6 1,-0.3 -3,-0.2 0.813 110.1 61.7 -64.4 -29.8 8.7 65.4 9.1 40 49 A V G 3 > - B 0 60A 38 5,-1.7 5,-1.7 1,-0.1 4,-0.8 -0.813 63.4-172.7-145.1 100.5 19.2 42.6 32.9 56 65 A D T >45S+ 0 0 119 -2,-0.3 3,-0.5 3,-0.2 -1,-0.1 0.922 83.0 47.1 -57.5 -55.5 18.7 43.8 36.5 57 66 A A T 345S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.882 124.2 31.2 -62.7 -40.8 22.1 43.0 38.0 58 67 A R T 345S- 0 0 181 2,-0.1 -1,-0.2 110,-0.0 -2,-0.2 0.381 106.0-126.5-101.8 6.3 24.1 44.4 35.1 59 68 A Q T <<5 + 0 0 58 -4,-0.8 110,-2.5 -3,-0.5 2,-0.5 0.932 44.2 166.4 54.9 58.4 21.7 47.1 34.3 60 69 A I E < -BC 55 168A 14 -5,-1.7 -6,-2.7 108,-0.2 -5,-1.7 -0.919 14.4-166.2-104.0 134.7 21.2 46.5 30.6 61 70 A Y E -BC 53 167A 7 106,-3.0 106,-2.8 -2,-0.5 2,-0.6 -0.924 15.6-139.5-121.7 144.0 18.3 48.2 29.0 62 71 A K E -BC 52 166A 54 -10,-3.0 -10,-2.4 -2,-0.4 2,-0.5 -0.916 17.5-161.2-104.2 121.6 16.7 47.7 25.7 63 72 A V E -BC 51 165A 0 102,-3.1 102,-2.4 -2,-0.6 2,-0.5 -0.912 9.3-176.0-104.9 123.8 15.7 50.9 23.9 64 73 A N E -BC 50 164A 38 -14,-2.9 -14,-2.6 -2,-0.5 2,-0.4 -0.973 6.6-179.8-124.8 122.6 13.2 50.6 21.1 65 74 A V E -BC 49 163A 1 98,-2.2 98,-2.8 -2,-0.5 2,-0.4 -0.987 4.5-173.5-121.1 133.1 12.0 53.4 18.8 66 75 A V E +BC 48 162A 43 -18,-2.3 -18,-2.6 -2,-0.4 2,-0.3 -0.986 7.4 175.6-123.7 134.7 9.5 52.9 16.1 67 76 A D - 0 0 11 94,-2.6 94,-0.5 -2,-0.4 -20,-0.2 -0.831 37.6-130.5-131.3 173.2 8.5 55.5 13.5 68 77 A N + 0 0 33 -2,-0.3 92,-0.2 -22,-0.3 -21,-0.1 -0.239 65.3 132.9-114.4 37.5 6.2 55.7 10.5 69 78 A G S S- 0 0 0 92,-0.2 -31,-0.2 -23,-0.1 54,-0.1 0.144 76.3 -75.8 -78.9-165.5 9.0 57.3 8.4 70 79 A I - 0 0 56 -33,-2.0 55,-1.0 1,-0.2 90,-0.2 0.582 66.6-142.1 -74.7 -9.3 10.3 56.7 4.9 71 80 A G - 0 0 9 53,-0.2 -1,-0.2 88,-0.1 90,-0.1 -0.224 18.4 -82.9 78.6-172.8 12.2 53.6 6.0 72 81 A I - 0 0 35 88,-0.3 5,-0.1 -3,-0.1 -1,-0.1 -0.995 36.6-108.3-138.3 127.9 15.6 52.5 4.8 73 82 A P >> - 0 0 42 0, 0.0 3,-2.1 0, 0.0 4,-1.0 -0.297 33.5-121.9 -49.9 133.2 16.5 50.6 1.6 74 83 A P G >4 S+ 0 0 32 0, 0.0 3,-0.9 0, 0.0 49,-0.0 0.868 111.5 56.0 -49.2 -41.6 17.6 47.1 2.6 75 84 A Q G 34 S+ 0 0 150 1,-0.2 4,-0.3 2,-0.1 0, 0.0 0.650 107.0 51.4 -70.8 -13.5 21.0 47.5 1.0 76 85 A E G <> S+ 0 0 110 -3,-2.1 4,-2.1 1,-0.1 -1,-0.2 0.628 87.6 83.5 -95.6 -17.7 21.7 50.6 3.1 77 86 A V H S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.929 117.4 37.6 -53.2 -49.7 24.2 47.5 7.4 79 88 A N H > S+ 0 0 72 -4,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.827 108.9 63.3 -71.6 -32.3 26.3 50.6 6.8 80 89 A A H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 24,-0.2 0.818 123.5 17.9 -63.2 -29.0 23.7 53.0 8.2 81 90 A F H < S+ 0 0 8 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.618 132.5 38.3-115.3 -20.6 24.1 51.3 11.6 82 91 A G H < S+ 0 0 0 -4,-2.4 2,-0.4 -5,-0.3 56,-0.4 0.212 96.9 69.8-127.4 18.4 27.4 49.4 11.5 83 92 A R < - 0 0 111 -4,-1.1 2,-0.4 60,-0.2 -1,-0.1 -0.928 62.0-153.3-138.1 112.0 30.0 51.4 9.6 84 93 A V - 0 0 4 -2,-0.4 2,-0.2 58,-0.1 -80,-0.1 -0.690 24.9-119.7 -84.4 137.1 31.5 54.5 11.0 85 94 A L - 0 0 86 -2,-0.4 -81,-0.2 2,-0.1 -1,-0.1 -0.483 12.4-126.9 -76.7 146.1 32.7 57.0 8.4 86 95 A Y 0 0 89 -2,-0.2 -1,-0.1 -84,-0.1 -2,-0.0 0.279 360.0 360.0 -76.2 13.1 36.4 58.0 8.4 87 96 A S 0 0 90 13,-0.1 -2,-0.1 -85,-0.0 -85,-0.0 -0.930 360.0 360.0 155.6 360.0 35.3 61.6 8.5 88 ! 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 89 98 A K 0 0 101 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 117.5 30.3 64.9 6.0 90 99 A Y - 0 0 52 1,-0.1 2,-0.6 141,-0.1 137,-0.0 -0.508 360.0-122.0 -64.0 125.6 30.2 68.5 5.1 91 100 A V + 0 0 57 -2,-0.3 -1,-0.1 318,-0.2 3,-0.1 -0.661 45.6 158.7 -83.4 118.5 26.7 69.6 6.2 92 101 A N + 0 0 32 -2,-0.6 128,-2.0 1,-0.2 2,-0.3 0.082 66.1 45.0-123.2 21.1 24.5 71.0 3.4 93 102 A R S S- 0 0 80 126,-0.2 -1,-0.2 316,-0.1 212,-0.1 -0.909 91.3-102.7-163.1 133.4 21.2 70.4 4.9 94 103 A Q + 0 0 10 210,-2.6 2,-0.3 -2,-0.3 315,-0.1 -0.382 46.2 174.2 -61.1 130.0 19.9 71.0 8.4 95 104 A T - 0 0 69 313,-0.3 2,-0.4 2,-0.1 313,-0.1 -0.963 33.9-107.0-135.1 157.4 19.7 67.8 10.5 96 105 A R S S+ 0 0 15 -2,-0.3 270,-0.1 -64,-0.2 2,-0.1 -0.683 73.6 69.6 -83.1 133.2 18.9 67.0 14.1 97 106 A G - 0 0 23 -2,-0.4 -2,-0.1 268,-0.4 271,-0.0 -0.183 55.2-142.2 133.3 136.3 21.8 65.9 16.2 98 107 A M S S+ 0 0 36 -2,-0.1 2,-0.4 1,-0.0 315,-0.1 0.800 81.7 75.2 -81.9 -42.0 25.0 67.3 17.9 99 108 A Y > - 0 0 32 1,-0.1 3,-0.9 -85,-0.1 6,-0.1 -0.652 66.2-148.2 -91.5 132.7 27.2 64.2 17.3 100 109 A G T 3 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.848 99.2 56.7 -61.4 -38.4 28.7 63.1 14.1 101 110 A L T > S+ 0 0 26 1,-0.2 3,-1.7 -98,-0.1 -1,-0.3 0.756 82.8 176.6 -65.0 -25.9 28.5 59.4 14.9 102 111 A G T X> - 0 0 15 -3,-0.9 3,-1.7 1,-0.3 4,-0.6 -0.242 68.8 -8.4 57.1-140.5 24.7 59.7 15.4 103 112 A V H >> S+ 0 0 7 1,-0.3 4,-2.2 -74,-0.2 3,-0.5 0.766 127.5 75.6 -57.9 -24.5 23.0 56.3 16.2 104 113 A K H <> S+ 0 0 30 -3,-1.7 4,-2.6 1,-0.3 -1,-0.3 0.792 87.5 58.4 -62.5 -27.4 26.4 54.7 15.4 105 114 A A H <> S+ 0 0 1 -3,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.897 107.4 46.9 -67.1 -40.0 27.8 55.8 18.8 106 115 A A H - 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