==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-10 2XSV . COMPND 2 MOLECULE: CATECHOL 1,2 DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER RADIORESISTENS; . AUTHOR C.MICALELLA,S.MARTIGNON,S.BRUNO,M.RIZZI . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.3 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 . 3 1.0 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 . 1 0.3 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 1 0 2 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 -3 A H 0 0 67 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 6.9 36.0 -20.3 46.7 2 -2 A H + 0 0 122 1,-0.2 3,-0.1 44,-0.1 44,-0.1 -0.683 360.0 164.7 -76.6 105.2 32.9 -21.8 45.1 3 -1 A H + 0 0 132 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.678 64.4 26.9 -94.8 -21.8 30.2 -20.5 47.3 4 0 A H - 0 0 72 -3,-0.1 -1,-0.2 37,-0.1 2,-0.2 -0.996 69.0-142.6-140.4 140.2 27.2 -21.1 45.0 5 2 A N > - 0 0 77 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.468 40.4 -96.9 -90.3 175.4 26.6 -23.7 42.2 6 3 A R H > S+ 0 0 75 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.843 124.3 55.8 -69.1 -30.0 24.7 -22.8 39.0 7 4 A Q H > S+ 0 0 160 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 111.5 42.8 -61.0 -48.6 21.4 -24.2 40.4 8 5 A Q H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.855 114.5 51.8 -64.9 -41.3 21.7 -22.0 43.5 9 6 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.941 109.8 48.8 -58.5 -51.0 22.7 -19.0 41.2 10 7 A D H X S+ 0 0 74 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.895 110.0 51.5 -59.4 -39.7 19.7 -19.6 39.0 11 8 A A H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.919 111.6 47.1 -64.2 -44.2 17.3 -19.8 41.9 12 9 A L H X S+ 0 0 61 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.927 111.2 50.0 -61.8 -47.4 18.7 -16.5 43.4 13 10 A V H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.902 112.8 48.9 -59.9 -37.9 18.5 -14.6 40.0 14 11 A K H X>S+ 0 0 107 -4,-2.0 5,-2.7 -5,-0.3 4,-2.4 0.938 110.0 50.2 -66.0 -47.3 14.9 -15.9 39.7 15 12 A Q H <5S+ 0 0 107 -4,-2.5 5,-0.2 1,-0.2 -2,-0.2 0.885 118.7 39.0 -57.2 -41.8 13.9 -14.8 43.2 16 13 A M H <5S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.856 130.9 20.4 -80.7 -34.6 15.3 -11.3 42.6 17 14 A N H <5S+ 0 0 68 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.561 130.7 30.0-117.6 -10.4 14.3 -10.6 39.0 18 15 A V T ><5S+ 0 0 40 -4,-2.4 3,-2.0 -5,-0.3 -3,-0.2 0.727 114.9 50.5-117.1 -52.1 11.4 -12.8 38.0 19 16 A D T 3 - 0 0 97 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.805 29.9-158.5 -80.3 105.7 8.8 -7.6 28.3 27 24 A E H > S+ 0 0 157 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.826 85.1 49.8 -61.5 -35.5 9.5 -11.4 27.9 28 25 A R H > S+ 0 0 162 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 112.5 45.9 -68.8 -46.7 12.7 -10.9 25.7 29 26 A I H > S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.942 113.9 50.7 -62.6 -46.3 14.3 -8.4 28.0 30 27 A Q H X S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 110.7 48.8 -54.4 -47.6 13.5 -10.6 31.0 31 28 A Q H X S+ 0 0 113 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.919 114.3 44.7 -58.5 -47.3 15.0 -13.7 29.2 32 29 A V H X S+ 0 0 58 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.941 113.0 50.2 -67.8 -47.6 18.2 -11.8 28.3 33 30 A V H X S+ 0 0 66 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.927 111.2 48.9 -53.8 -47.2 18.7 -10.2 31.7 34 31 A V H X S+ 0 0 44 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.898 114.1 46.3 -62.0 -41.5 18.2 -13.6 33.5 35 32 A R H X S+ 0 0 161 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.950 115.8 43.5 -66.0 -52.2 20.7 -15.3 31.2 36 33 A L H X S+ 0 0 109 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.883 114.8 49.0 -66.6 -38.8 23.4 -12.5 31.4 37 34 A L H X S+ 0 0 45 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.937 111.8 48.9 -67.4 -45.5 23.1 -12.0 35.2 38 35 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.899 112.8 48.9 -55.7 -40.9 23.3 -15.8 35.9 39 36 A D H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.909 110.9 49.8 -68.5 -42.9 26.4 -16.0 33.6 40 37 A L H X S+ 0 0 94 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.932 111.0 49.0 -59.4 -47.2 28.0 -13.0 35.4 41 38 A F H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.903 111.8 49.9 -60.7 -40.1 27.3 -14.6 38.9 42 39 A Q H X S+ 0 0 34 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.876 110.3 48.7 -66.8 -37.9 28.9 -17.9 37.7 43 40 A A H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.882 108.6 54.5 -68.5 -39.8 32.0 -16.1 36.3 44 41 A I H <>S+ 0 0 40 -4,-2.5 5,-2.2 -5,-0.2 4,-0.5 0.932 113.9 42.4 -56.4 -43.1 32.3 -14.3 39.7 45 42 A E H ><5S+ 0 0 22 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.943 115.7 47.3 -69.0 -48.6 32.2 -17.7 41.4 46 43 A D H 3<5S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 123.1 33.4 -63.8 -38.5 34.6 -19.5 38.9 47 44 A L T 3<5S- 0 0 127 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.360 105.0-126.4 -97.0 1.7 37.2 -16.7 38.9 48 45 A D T < 5 - 0 0 80 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.949 34.6-164.2 46.7 59.0 36.6 -15.8 42.6 49 46 A I < - 0 0 46 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.0 -0.607 8.2-137.9 -79.4 127.9 36.0 -12.1 41.6 50 47 A Q >> - 0 0 84 -2,-0.4 4,-2.2 -3,-0.2 3,-0.7 -0.404 19.7-110.8 -87.5 158.8 36.3 -9.9 44.6 51 48 A P H 3> S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.914 118.8 55.4 -57.1 -41.5 33.9 -7.0 45.4 52 49 A S H 3> S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 108.4 50.8 -56.7 -35.9 36.7 -4.4 44.7 53 50 A E H <> S+ 0 0 107 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.895 108.6 49.8 -68.3 -44.2 37.2 -6.0 41.3 54 51 A V H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.942 111.2 49.1 -59.7 -45.4 33.5 -5.9 40.4 55 52 A W H X S+ 0 0 150 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.906 109.5 52.2 -64.8 -39.1 33.3 -2.2 41.4 56 53 A K H X S+ 0 0 137 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.896 109.4 50.6 -60.0 -41.2 36.4 -1.4 39.3 57 54 A G H X S+ 0 0 35 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 112.9 44.8 -60.3 -47.5 34.7 -3.1 36.4 58 55 A L H X S+ 0 0 88 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.863 111.9 52.1 -67.2 -36.9 31.5 -1.0 36.8 59 56 A E H X S+ 0 0 105 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.900 109.0 51.2 -64.4 -40.2 33.5 2.2 37.3 60 57 A Y H X S+ 0 0 50 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.956 110.7 48.2 -62.4 -47.6 35.4 1.5 34.1 61 58 A L H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.891 110.9 51.0 -59.6 -40.7 32.1 0.9 32.2 62 59 A T H X S+ 0 0 76 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.941 112.0 46.9 -58.5 -48.8 30.7 4.2 33.7 63 60 A D H X S+ 0 0 85 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.888 111.6 51.3 -63.5 -41.7 33.8 6.1 32.5 64 61 A A H <>S+ 0 0 0 -4,-2.9 5,-2.9 2,-0.2 6,-0.4 0.916 111.2 47.0 -61.2 -44.8 33.6 4.5 29.1 65 62 A G H ><5S+ 0 0 34 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.894 110.7 52.7 -64.0 -41.4 29.9 5.5 28.7 66 63 A Q H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 111.7 45.7 -63.8 -30.8 30.7 9.0 29.9 67 64 A A T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.360 112.5-121.2 -90.7 3.9 33.5 9.3 27.2 68 65 A N T < 5S+ 0 0 149 -3,-1.2 -3,-0.2 -4,-0.2 4,-0.2 0.887 75.7 126.7 54.3 45.0 31.1 7.8 24.6 69 66 A E >< + 0 0 18 -5,-2.9 4,-2.2 2,-0.1 -4,-0.2 0.349 30.8 96.2-113.4 1.8 33.7 5.0 24.0 70 67 A L H > S+ 0 0 79 -6,-0.4 4,-2.5 1,-0.2 5,-0.1 0.806 85.8 54.5 -65.5 -30.6 31.6 1.8 24.4 71 68 A G H > S+ 0 0 22 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 110.4 45.9 -61.7 -46.9 31.1 1.6 20.6 72 69 A A H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.871 111.7 52.4 -65.7 -33.9 34.9 1.8 20.2 73 70 A L H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 6,-0.3 0.935 106.0 53.1 -68.7 -44.2 35.3 -0.9 23.0 74 71 A A H X>S+ 0 0 27 -4,-2.5 6,-2.0 1,-0.2 5,-1.0 0.882 112.8 46.1 -53.1 -41.1 32.8 -3.2 21.2 75 72 A A H ><5S+ 0 0 5 -4,-1.7 3,-1.0 4,-0.2 6,-0.3 0.971 113.6 47.0 -65.9 -51.4 35.0 -2.8 18.0 76 73 A G H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.804 109.9 50.8 -69.1 -30.1 38.4 -3.4 19.9 77 74 A L H 3<5S- 0 0 92 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.628 116.1-114.3 -80.9 -10.6 37.3 -6.5 21.9 78 75 A G T S+ 0 0 16 -6,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.946 112.5 46.4 -64.2 -44.4 31.4 -5.9 16.5 81 78 A H H > S+ 0 0 50 -7,-0.3 4,-2.1 -6,-0.3 3,-0.3 0.903 107.5 58.6 -61.1 -42.1 33.3 -8.2 14.1 82 79 A Y H X S+ 0 0 134 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.892 99.7 56.9 -56.2 -39.3 31.7 -11.2 15.8 83 80 A L H X S+ 0 0 101 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.888 108.2 48.2 -60.0 -37.9 28.2 -9.9 14.9 84 81 A D H X S+ 0 0 27 -4,-1.2 4,-2.7 -3,-0.3 -1,-0.2 0.866 106.8 54.9 -70.0 -37.3 29.4 -9.9 11.3 85 82 A L H X S+ 0 0 82 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.924 111.7 45.9 -59.6 -43.4 30.7 -13.5 11.6 86 83 A R H X S+ 0 0 169 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.906 111.6 50.7 -63.7 -42.7 27.2 -14.5 12.8 87 84 A A H X S+ 0 0 30 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.895 109.4 50.9 -64.6 -38.3 25.5 -12.5 10.0 88 85 A D H X S+ 0 0 39 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.882 111.4 47.9 -66.7 -39.2 27.7 -14.2 7.4 89 86 A E H X S+ 0 0 112 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.904 110.6 51.3 -67.9 -44.5 26.9 -17.6 8.8 90 87 A A H X S+ 0 0 46 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.896 111.6 48.1 -53.6 -43.0 23.1 -16.8 8.9 91 88 A D H <>S+ 0 0 15 -4,-2.2 5,-2.4 2,-0.2 3,-0.4 0.914 109.2 52.4 -69.3 -42.5 23.3 -15.7 5.2 92 89 A A H ><5S+ 0 0 58 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.924 107.5 51.7 -56.4 -46.1 25.2 -18.9 4.2 93 90 A K H 3<5S+ 0 0 175 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 108.1 54.2 -64.2 -22.0 22.5 -21.0 5.8 94 91 A A T 3<5S- 0 0 43 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.462 117.7-113.2 -84.8 -3.6 19.9 -19.0 3.8 95 92 A G T < 5 + 0 0 58 -3,-1.7 2,-0.6 -4,-0.4 -3,-0.2 0.648 63.3 154.0 77.0 15.1 21.7 -19.8 0.5 96 93 A I < + 0 0 31 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.667 14.5 164.3 -79.0 118.9 22.7 -16.1 0.0 97 94 A T + 0 0 117 -2,-0.6 2,-0.0 -3,-0.1 -5,-0.0 -0.872 32.8 29.3-129.8 167.8 25.8 -15.9 -2.1 98 95 A G + 0 0 51 -2,-0.3 193,-0.1 1,-0.2 45,-0.1 -0.134 61.9 112.6 74.7-177.4 27.7 -13.3 -4.0 99 96 A G S S- 0 0 21 191,-0.2 191,-0.2 44,-0.1 -1,-0.2 0.151 79.5 -65.5 94.7 147.7 27.6 -9.6 -3.2 100 97 A T - 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