==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 13-NOV-12 4HYM . COMPND 2 MOLECULE: TOPOISOMERASE IV, SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. HOLARCTI . AUTHOR D.C.BENSEN,C.J.CREIGHTON,B.KWAN,L.W.TARI . 587 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 29 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 6 1 2 0 0 0 0 0 2 0 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 5 0 1 6 1 4 3 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 . 4 1 0 1 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 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 7 A K 0 0 187 0, 0.0 91,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -12.9 -7.2 -7.2 -4.6 2 8 A S + 0 0 108 89,-0.5 2,-0.4 1,-0.2 90,-0.2 0.881 360.0 32.8 -56.7 -41.4 -10.8 -8.1 -3.5 3 9 A I E S-A 91 0A 68 88,-2.1 88,-1.7 90,-0.1 2,-0.4 -0.987 76.0-175.0-117.4 128.0 -10.5 -4.9 -1.3 4 10 A E E -A 90 0A 120 -2,-0.4 2,-0.4 86,-0.2 86,-0.2 -0.984 6.2-169.6-127.0 132.4 -8.4 -2.0 -2.4 5 11 A V E -A 89 0A 55 84,-3.4 84,-2.3 -2,-0.4 2,-0.4 -0.980 12.1-178.8-130.3 134.8 -7.9 1.0 -0.1 6 12 A L E +A 88 0A 67 -2,-0.4 2,-0.3 82,-0.2 82,-0.2 -0.994 15.9 162.9-131.0 122.7 -6.3 4.5 -0.7 7 13 A T E -A 87 0A 57 80,-1.9 80,-2.3 -2,-0.4 2,-0.1 -0.840 38.6-100.6-125.0 171.5 -6.0 7.0 2.1 8 14 A G - 0 0 43 -2,-0.3 79,-0.2 78,-0.2 4,-0.1 -0.147 43.5-101.6 -74.1-174.7 -4.1 10.2 2.8 9 15 A L S >> S+ 0 0 10 76,-0.3 4,-2.0 1,-0.2 3,-0.7 0.286 89.3 106.2-102.9 5.0 -0.9 10.1 5.0 10 16 A D H 3> S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.892 75.6 59.5 -53.4 -39.5 -2.3 11.4 8.3 11 17 A P H 3> S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.881 107.3 47.5 -60.0 -33.3 -2.2 7.9 9.8 12 18 A V H <4 S+ 0 0 0 -3,-0.7 -2,-0.2 1,-0.2 6,-0.2 0.927 111.9 48.0 -71.1 -45.9 1.5 7.8 9.3 13 19 A K H < S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.833 112.4 49.8 -63.8 -33.6 2.2 11.3 10.7 14 20 A K H < S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 128.3 20.3 -77.7 -33.1 0.1 10.6 13.8 15 21 A R >< + 0 0 134 -4,-1.7 3,-2.7 -5,-0.3 4,-0.4 -0.443 67.0 162.2-131.8 65.6 1.8 7.2 14.6 16 22 A P G >> S+ 0 0 19 0, 0.0 3,-2.2 0, 0.0 4,-1.9 0.848 74.1 67.6 -54.4 -36.5 5.2 7.3 12.8 17 23 A G G 34 S+ 0 0 39 1,-0.3 5,-0.1 2,-0.2 -5,-0.1 0.678 94.4 56.7 -56.2 -20.3 6.3 4.4 15.1 18 24 A M G <4 S+ 0 0 81 -3,-2.7 80,-3.0 -6,-0.2 -1,-0.3 0.644 116.7 33.4 -84.9 -13.1 3.8 2.1 13.4 19 25 A Y T <4 S+ 0 0 31 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.541 127.0 12.3-119.6 -16.0 5.3 2.7 10.0 20 26 A T S < S- 0 0 3 -4,-1.9 2,-0.8 -8,-0.1 -1,-0.2 -0.925 79.4 -96.5-152.2 170.4 9.0 3.1 10.6 21 27 A N > - 0 0 66 -2,-0.3 3,-0.9 3,-0.1 6,-0.4 -0.906 34.8-158.6 -91.2 112.5 11.7 2.7 13.3 22 28 A I T 3 S+ 0 0 56 -2,-0.8 141,-2.8 1,-0.2 142,-0.6 0.462 70.0 94.6 -80.2 2.9 11.8 6.3 14.7 23 29 A E T 3 S- 0 0 81 139,-0.2 141,-0.5 140,-0.2 -1,-0.2 0.866 107.6 -27.5 -57.2 -39.0 15.4 5.9 16.2 24 30 A N S < S- 0 0 21 -3,-0.9 3,-0.5 139,-0.2 4,-0.2 -0.917 74.0 -87.8-161.7-179.0 16.8 7.4 13.0 25 31 A P S > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.368 90.9 104.6 -85.5 8.8 16.0 7.6 9.3 26 32 A N H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.856 78.0 53.2 -58.1 -42.3 17.7 4.3 8.3 27 33 A H H > S+ 0 0 10 -3,-0.5 4,-2.2 -6,-0.4 -1,-0.2 0.869 106.4 53.6 -62.7 -35.7 14.4 2.4 8.0 28 34 A L H > S+ 0 0 0 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.908 108.8 48.8 -58.5 -42.2 13.1 5.1 5.6 29 35 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.927 108.9 53.8 -64.6 -42.5 16.2 4.6 3.5 30 36 A Q H X S+ 0 0 45 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.899 105.8 54.2 -56.0 -42.8 15.6 0.8 3.6 31 37 A E H X S+ 0 0 15 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.907 110.7 44.0 -63.5 -43.1 12.0 1.5 2.3 32 38 A I H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.916 113.5 51.6 -66.1 -43.5 13.3 3.4 -0.7 33 39 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.918 105.8 55.3 -56.8 -41.9 16.0 0.8 -1.4 34 40 A D H X S+ 0 0 14 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.863 105.1 53.2 -63.3 -33.4 13.4 -2.0 -1.3 35 41 A N H X S+ 0 0 71 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.902 110.8 45.4 -69.1 -37.8 11.4 -0.3 -4.0 36 42 A S H >X S+ 0 0 7 -4,-1.7 4,-1.5 1,-0.2 3,-0.5 0.901 109.2 57.5 -66.9 -41.5 14.6 -0.1 -6.2 37 43 A V H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.878 96.8 62.0 -55.4 -38.9 15.3 -3.7 -5.4 38 44 A D H 3X S+ 0 0 77 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.900 103.3 49.6 -59.2 -39.1 11.9 -4.7 -6.7 39 45 A E H <<>S+ 0 0 29 -4,-1.0 5,-2.3 -3,-0.5 6,-0.6 0.887 110.5 50.8 -59.8 -40.4 13.1 -3.4 -10.2 40 46 A V H ><5S+ 0 0 7 -4,-1.5 3,-1.1 4,-0.2 -2,-0.2 0.925 111.8 46.3 -62.7 -45.3 16.3 -5.4 -9.8 41 47 A L H 3<5S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.4 58.1 -69.8 -33.4 14.3 -8.6 -9.0 42 48 A A T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.612 120.7-113.7 -65.0 -14.3 11.9 -7.9 -11.9 43 49 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.495 92.0 101.5 96.5 8.4 15.1 -8.0 -14.1 44 50 A F S - 0 0 52 4,-2.1 3,-1.8 -2,-0.7 141,-0.1 -0.520 25.9-115.3 -88.3 157.3 24.6 14.4 2.0 54 60 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.2 138,-0.0 0.791 114.8 64.0 -65.0 -23.9 26.0 16.9 4.6 55 61 A D T 3 S- 0 0 78 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.321 120.8-108.2 -79.4 10.8 22.5 18.4 5.1 56 62 A N S < S+ 0 0 45 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.444 77.5 133.7 70.2 10.7 21.3 14.9 6.4 57 63 A S - 0 0 1 99,-0.1 -4,-2.1 97,-0.0 2,-0.4 -0.407 45.7-143.5 -80.5 164.2 19.3 14.2 3.3 58 64 A I E -CD 52 155B 0 97,-2.2 97,-2.9 -6,-0.2 2,-0.4 -0.988 9.7-164.8-132.0 135.0 19.5 10.8 1.6 59 65 A E E -CD 51 154B 26 -8,-2.3 -8,-2.7 -2,-0.4 2,-0.4 -0.979 3.0-172.6-120.3 137.2 19.4 10.1 -2.2 60 66 A V E -CD 50 153B 2 93,-2.4 93,-2.4 -2,-0.4 2,-0.4 -0.999 9.2-177.1-125.1 126.8 18.8 6.7 -3.7 61 67 A A E +CD 49 152B 18 -12,-2.8 -12,-2.9 -2,-0.4 2,-0.3 -0.954 2.8 179.9-127.2 142.4 19.1 6.2 -7.5 62 68 A D E -CD 48 151B 21 89,-2.3 89,-0.6 -2,-0.4 -14,-0.2 -0.874 34.0-130.6-131.9 169.3 18.6 3.1 -9.7 63 69 A D + 0 0 45 -16,-0.9 86,-0.2 -2,-0.3 87,-0.2 -0.149 65.6 125.7-107.9 32.9 18.8 2.2 -13.4 64 70 A G S S- 0 0 0 -17,-0.2 -19,-0.1 87,-0.1 3,-0.0 0.087 82.8 -73.9 -74.9-163.5 15.3 0.6 -13.5 65 71 A R S S- 0 0 111 84,-0.1 85,-0.2 1,-0.1 -1,-0.1 0.680 75.1-105.9 -72.4 -19.5 12.4 1.4 -15.8 66 72 A G - 0 0 7 83,-0.2 85,-0.2 54,-0.1 3,-0.1 0.390 41.7 -77.7 93.9 126.4 11.6 4.7 -14.1 67 73 A M - 0 0 36 1,-0.1 13,-0.1 83,-0.1 83,-0.1 -0.188 64.1 -89.3 -52.9 147.4 8.6 5.1 -11.9 68 74 A P - 0 0 58 0, 0.0 12,-1.3 0, 0.0 -1,-0.1 -0.307 39.5-179.0 -69.9 142.5 5.4 5.5 -13.9 69 75 A V + 0 0 10 10,-0.2 12,-0.1 9,-0.1 3,-0.1 0.482 39.6 122.5-113.4 -11.2 4.3 9.0 -14.9 70 76 A D S S- 0 0 127 8,-0.2 9,-1.0 1,-0.1 2,-0.4 -0.218 70.9-104.8 -56.3 145.5 1.1 8.2 -16.8 71 77 A I E -I 78 0C 111 7,-0.2 7,-0.3 5,-0.1 -1,-0.1 -0.566 29.2-128.9 -74.8 123.3 -2.1 9.9 -15.5 72 78 A H E >> -I 77 0C 69 5,-2.8 4,-2.3 -2,-0.4 5,-0.5 -0.636 14.4-139.4 -74.6 122.6 -4.3 7.5 -13.6 73 79 A P T 45S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.850 96.7 39.2 -54.9 -37.7 -7.8 7.9 -15.2 74 80 A E T 45S+ 0 0 145 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.959 123.6 34.1 -78.9 -52.3 -9.6 7.7 -11.8 75 81 A H T 45S- 0 0 52 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.564 95.5-139.2 -88.0 -8.2 -7.4 9.7 -9.5 76 82 A K T <5 + 0 0 163 -4,-2.3 2,-0.3 1,-0.2 -5,-0.1 0.887 64.2 102.1 55.2 46.5 -6.4 12.1 -12.2 77 83 A M E -I 71 0C 5 -2,-0.3 4,-2.0 -7,-0.3 -7,-0.2 -0.153 41.4-111.5 -56.6 159.1 0.5 10.9 -12.5 79 85 A G H > S+ 0 0 12 -9,-1.0 4,-2.8 1,-0.2 5,-0.3 0.912 117.6 53.4 -60.7 -44.2 1.5 7.4 -11.2 80 86 A I H > S+ 0 0 0 -12,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.906 109.1 47.7 -62.3 -42.2 4.4 8.9 -9.2 81 87 A E H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 114.0 48.2 -62.0 -42.4 2.2 11.5 -7.4 82 88 A L H X S+ 0 0 12 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.905 113.1 46.2 -61.9 -47.0 -0.3 8.7 -6.6 83 89 A I H < S+ 0 0 50 -4,-2.8 22,-0.4 1,-0.2 3,-0.2 0.908 119.2 42.5 -64.5 -38.0 2.3 6.3 -5.3 84 90 A M H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.759 117.5 40.2 -81.8 -26.5 4.0 9.1 -3.2 85 91 A T H < S+ 0 0 17 -4,-1.9 2,-0.3 -5,-0.2 -76,-0.3 0.428 107.9 57.3-112.5 2.6 1.0 10.9 -1.7 86 92 A K S < S- 0 0 57 -4,-0.9 2,-0.6 -3,-0.2 19,-0.2 -0.969 74.5-123.0-135.2 143.7 -1.4 8.1 -0.7 87 93 A L E -A 7 0A 14 -80,-2.3 -80,-1.9 -2,-0.3 2,-0.4 -0.838 33.0-159.5 -83.0 120.9 -1.3 5.0 1.5 88 94 A H E +A 6 0A 68 -2,-0.6 2,-0.3 14,-0.6 -82,-0.2 -0.849 22.9 149.5-104.6 133.6 -2.1 2.0 -0.7 89 95 A S E +A 5 0A 69 -84,-2.3 -84,-3.4 -2,-0.4 2,-0.3 -0.977 8.7 160.8-152.3 157.3 -3.3 -1.3 0.8 90 96 A G E +A 4 0A 46 -2,-0.3 2,-0.3 -86,-0.2 -86,-0.2 -0.954 3.1 162.8-158.7-176.7 -5.6 -4.2 -0.2 91 97 A G E -A 3 0A 26 -88,-1.7 -88,-2.1 -2,-0.3 -89,-0.5 -0.979 49.1 -85.2 178.1-170.1 -6.3 -7.8 0.7 92 98 A K S S- 0 0 137 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.880 105.0 -1.0 -85.8 -44.1 -8.7 -10.6 0.5 93 99 A F S S- 0 0 179 -3,-0.1 -1,-0.3 -90,-0.1 -90,-0.1 -0.972 88.5 -89.0-144.2 151.3 -11.0 -9.8 3.5 94 100 A S 0 0 107 -2,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 -0.323 360.0 360.0 -63.1 146.9 -10.8 -7.0 6.1 95 101 A N 0 0 218 -4,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.065 360.0 360.0-123.6 360.0 -8.7 -7.9 9.1 96 ! 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 97 108 A G 0 0 53 0, 0.0 -78,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-101.1 0.6 -0.1 9.6 98 109 A G - 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