==== 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 OXIDOREDUCTASE 11-DEC-99 1DLQ . COMPND 2 MOLECULE: CATECHOL 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP.; . AUTHOR M.W.VETTING,D.H.OHLENDORF . 618 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 12.6 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 44 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 2 2 0 2 0 0 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 4 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 0 0 PARALLEL BRIDGES PER LADDER . 8 0 2 0 4 2 2 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 2 0 2 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 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 V 0 0 80 0, 0.0 2,-0.4 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 130.3 0.5 101.1 114.3 2 4 A K + 0 0 166 1,-0.1 42,-0.0 2,-0.1 43,-0.0 -0.820 360.0 124.7-138.5 98.9 3.4 98.7 115.1 3 5 A I > + 0 0 23 -2,-0.4 3,-1.8 2,-0.1 6,-0.5 0.427 48.2 95.2-128.0 -7.8 2.7 95.3 116.6 4 6 A F T 3 S+ 0 0 24 1,-0.3 6,-0.1 36,-0.1 37,-0.1 0.879 87.4 49.5 -54.4 -41.3 4.4 93.0 114.1 5 7 A N T 3 S+ 0 0 132 4,-0.1 -1,-0.3 36,-0.1 -2,-0.1 0.414 89.3 104.9 -82.6 3.2 7.6 92.8 116.1 6 8 A T S <> S- 0 0 60 -3,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.342 82.9-111.6 -78.8 167.3 6.0 92.1 119.5 7 9 A Q H > S+ 0 0 126 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.824 113.4 58.0 -67.0 -34.1 6.1 88.6 121.0 8 10 A D H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 110.7 41.4 -64.1 -45.6 2.4 88.0 120.6 9 11 A V H > S+ 0 0 0 -6,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.916 117.2 48.3 -68.0 -43.1 2.5 88.5 116.8 10 12 A Q H X S+ 0 0 50 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.929 115.3 43.7 -63.5 -45.6 5.8 86.5 116.5 11 13 A D H X S+ 0 0 74 -4,-3.1 4,-1.8 1,-0.2 3,-0.5 0.919 112.3 54.5 -64.4 -42.0 4.5 83.6 118.6 12 14 A F H X S+ 0 0 23 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.911 103.1 55.4 -57.2 -46.2 1.2 83.8 116.8 13 15 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.3 0.835 108.0 50.2 -57.5 -32.4 3.0 83.4 113.4 14 16 A R H <>S+ 0 0 98 -4,-1.2 5,-2.2 -3,-0.5 6,-0.6 0.852 112.5 46.3 -75.5 -33.8 4.6 80.2 114.7 15 17 A V H ><5S+ 0 0 51 -4,-1.8 3,-1.9 3,-0.2 5,-0.2 0.944 110.5 50.5 -72.0 -50.0 1.3 78.8 115.9 16 18 A A H 3<5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.5 52.6 -57.5 -34.9 -0.6 79.6 112.7 17 19 A S T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -5,-0.3 16,-0.2 0.543 111.5-124.6 -78.8 -6.7 2.2 78.0 110.7 18 20 A G T < 5 + 0 0 0 -3,-1.9 3,-0.4 -4,-0.1 -3,-0.2 0.754 64.5 143.2 69.9 23.3 1.8 74.9 112.8 19 21 A L S - 0 0 62 497,-2.2 4,-2.3 1,-0.1 3,-0.4 -0.859 38.6-154.5 -99.3 111.8 5.0 68.5 106.4 26 28 A P H > S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.812 94.2 55.6 -55.3 -31.9 8.0 70.4 107.7 27 29 A R H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.910 108.4 46.6 -68.5 -42.4 8.8 71.8 104.3 28 30 A V H > S+ 0 0 40 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.928 111.7 51.1 -66.1 -43.5 5.3 73.3 103.8 29 31 A K H X S+ 0 0 17 -4,-2.3 4,-2.7 493,-0.3 -1,-0.2 0.868 106.9 55.7 -60.5 -37.4 5.4 74.8 107.3 30 32 A Q H X S+ 0 0 91 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.934 112.7 40.8 -60.1 -48.4 8.7 76.4 106.6 31 33 A I H X S+ 0 0 36 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.944 114.5 51.0 -66.9 -50.6 7.4 78.1 103.5 32 34 A I H X S+ 0 0 30 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.949 108.7 52.1 -53.8 -51.8 4.1 79.1 105.1 33 35 A H H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 111.7 46.7 -50.8 -48.1 5.8 80.6 108.1 34 36 A R H X S+ 0 0 50 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.938 114.9 46.0 -61.8 -47.0 8.0 82.7 105.8 35 37 A V H X S+ 0 0 36 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.912 112.3 48.8 -64.9 -43.8 5.2 83.9 103.6 36 38 A L H X S+ 0 0 3 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.915 112.1 51.5 -62.3 -42.0 2.8 84.8 106.5 37 39 A S H X S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.950 110.3 46.1 -58.9 -53.2 5.6 86.7 108.2 38 40 A D H X S+ 0 0 31 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.923 116.7 46.2 -57.8 -43.8 6.4 88.8 105.1 39 41 A L H X S+ 0 0 53 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.922 110.7 50.5 -65.3 -46.2 2.7 89.5 104.5 40 42 A Y H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.878 116.4 44.8 -59.1 -35.3 1.9 90.3 108.2 41 43 A K H X S+ 0 0 91 -4,-2.3 4,-3.0 -5,-0.3 3,-0.4 0.919 110.3 51.9 -74.9 -43.3 4.9 92.7 107.9 42 44 A A H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.906 106.4 55.9 -58.3 -41.7 3.9 94.1 104.5 43 45 A I H <>S+ 0 0 8 -4,-3.0 5,-2.0 1,-0.2 -1,-0.2 0.841 113.3 41.5 -59.0 -34.9 0.4 94.8 106.0 44 46 A E H ><5S+ 0 0 21 -4,-1.0 3,-1.1 -3,-0.4 -2,-0.2 0.952 114.4 48.0 -79.0 -51.5 2.1 96.8 108.7 45 47 A D H 3<5S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.865 122.3 36.0 -57.2 -38.5 4.7 98.7 106.7 46 48 A L T 3<5S- 0 0 24 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.391 104.0-130.5 -96.6 3.2 2.2 99.7 104.0 47 49 A N T < 5 - 0 0 98 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.934 30.9-165.6 45.6 58.0 -0.6 100.2 106.5 48 50 A I < - 0 0 18 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.0 -0.622 10.9-136.2 -76.1 125.4 -3.0 98.1 104.5 49 51 A T > - 0 0 64 -2,-0.4 4,-3.0 1,-0.1 5,-0.1 -0.294 20.7-109.6 -77.7 165.7 -6.6 98.6 105.7 50 52 A S H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 121.3 56.4 -61.4 -39.1 -9.1 95.9 106.3 51 53 A D H > S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.918 110.1 42.9 -58.6 -46.3 -11.0 97.2 103.3 52 54 A E H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.941 112.9 54.0 -66.4 -45.5 -7.9 96.8 101.1 53 55 A Y H X S+ 0 0 33 -4,-3.0 4,-1.9 1,-0.2 3,-0.5 0.938 109.7 45.4 -53.4 -53.2 -7.1 93.4 102.6 54 56 A W H X S+ 0 0 13 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.756 107.1 58.8 -65.7 -22.5 -10.6 92.0 101.9 55 57 A A H X S+ 0 0 58 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.3 0.868 108.5 47.5 -71.5 -33.8 -10.5 93.4 98.4 56 58 A G H X S+ 0 0 38 -4,-1.8 4,-1.8 -3,-0.5 -2,-0.2 0.865 110.2 50.6 -73.1 -36.6 -7.3 91.3 98.0 57 59 A V H X S+ 0 0 12 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.908 111.4 48.5 -67.1 -40.9 -9.0 88.2 99.4 58 60 A A H X S+ 0 0 24 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.872 108.3 54.6 -65.4 -38.8 -11.9 88.6 97.1 59 61 A Y H X S+ 0 0 36 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.898 104.3 55.6 -60.9 -39.8 -9.5 89.0 94.1 60 62 A L H X S+ 0 0 64 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.864 106.2 49.8 -61.5 -39.6 -7.9 85.7 95.1 61 63 A N H X S+ 0 0 21 -4,-1.4 4,-2.7 2,-0.2 316,-0.2 0.891 110.8 50.1 -66.2 -39.9 -11.3 83.9 94.9 62 64 A Q H X S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.887 107.3 54.7 -64.6 -42.4 -11.9 85.4 91.4 63 65 A L H <>S+ 0 0 7 -4,-2.4 5,-2.7 2,-0.2 6,-0.3 0.942 115.0 38.0 -58.1 -50.2 -8.5 84.4 90.2 64 66 A G H ><5S+ 0 0 0 -4,-1.8 3,-2.3 3,-0.2 -2,-0.2 0.909 111.9 57.1 -69.5 -42.6 -9.1 80.7 91.1 65 67 A A H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 113.1 42.8 -56.5 -33.7 -12.7 80.7 90.1 66 68 A N T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.264 109.3-127.9 -95.4 10.4 -11.5 81.8 86.7 67 69 A Q T < 5 + 0 0 115 -3,-2.3 3,-0.3 304,-0.2 -3,-0.2 0.810 68.6 131.5 45.9 38.9 -8.6 79.3 86.7 68 70 A E >>< + 0 0 11 -5,-2.7 4,-2.5 -6,-0.2 3,-1.2 0.221 26.9 103.8-103.5 14.0 -6.3 82.2 85.9 69 71 A A H 3> S+ 0 0 5 -6,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.888 84.4 49.9 -62.2 -37.4 -3.5 81.7 88.5 70 72 A G H 34 S+ 0 0 10 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.506 113.1 47.7 -78.8 -4.5 -1.2 80.2 85.9 71 73 A L H <> S+ 0 0 36 -3,-1.2 4,-1.1 2,-0.1 -2,-0.2 0.748 111.8 46.9-100.5 -37.8 -2.0 83.2 83.6 72 74 A L H X S+ 0 0 14 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.894 103.9 67.5 -69.2 -39.4 -1.4 85.8 86.3 73 75 A S H ><>S+ 0 0 5 -4,-2.2 5,-1.6 -5,-0.3 3,-0.8 0.924 104.0 38.8 -46.0 -60.8 1.8 84.0 87.3 74 76 A P H >45S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 6,-0.2 0.838 112.2 59.8 -64.3 -29.4 3.8 84.8 84.1 75 77 A G H 3<5S+ 0 0 0 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.763 104.4 48.6 -68.6 -27.0 2.3 88.3 83.9 76 78 A L T <<5S- 0 0 16 -4,-1.7 -1,-0.3 -3,-0.8 -3,-0.1 0.215 122.4-109.6 -95.7 13.4 3.8 89.2 87.3 77 79 A G T <>5S+ 0 0 0 -3,-1.4 4,-2.1 174,-0.3 5,-0.1 0.450 83.5 120.8 77.4 3.6 7.1 87.8 86.1 78 80 A F H > S+ 0 0 5 -6,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.896 115.3 40.2 -49.2 -46.5 7.6 82.3 85.1 80 82 A H H > S+ 0 0 29 -6,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.841 111.3 57.3 -73.9 -33.1 10.5 84.3 83.7 81 83 A Y H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.867 105.9 50.6 -64.1 -37.3 12.1 84.8 87.1 82 84 A L H X S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.860 110.9 49.6 -68.5 -34.8 12.3 81.0 87.5 83 85 A D H X S+ 0 0 12 -4,-1.3 4,-2.4 -5,-0.3 -2,-0.2 0.909 107.1 54.3 -69.0 -42.1 13.9 80.8 84.1 84 86 A M H X S+ 0 0 33 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.887 109.1 48.7 -58.4 -37.7 16.4 83.4 85.1 85 87 A R H X S+ 0 0 29 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.904 108.8 53.0 -68.1 -41.9 17.3 81.3 88.1 86 88 A M H X S+ 0 0 24 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.874 110.4 48.4 -60.6 -36.6 17.6 78.2 85.9 87 89 A D H X S+ 0 0 37 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.898 108.1 52.8 -70.0 -42.4 20.0 80.2 83.7 88 90 A A H X S+ 0 0 28 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.910 110.3 49.9 -59.0 -41.8 22.1 81.4 86.6 89 91 A E H X S+ 0 0 76 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.876 111.4 47.0 -65.4 -41.0 22.5 77.8 87.7 90 92 A D H ><>S+ 0 0 2 -4,-1.7 5,-3.0 1,-0.2 3,-0.5 0.893 109.8 53.4 -68.3 -39.9 23.6 76.6 84.3 91 93 A A H ><5S+ 0 0 75 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.838 106.7 53.4 -63.0 -32.4 26.0 79.4 83.9 92 94 A A H 3<5S+ 0 0 76 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.740 109.0 48.9 -73.7 -24.4 27.5 78.4 87.3 93 95 A L T <<5S- 0 0 94 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.203 118.8-109.7 -98.6 13.3 27.9 74.8 86.0 94 96 A G T < 5 + 0 0 60 -3,-1.0 2,-1.1 1,-0.2 -3,-0.2 0.703 65.0 154.2 67.4 19.5 29.6 76.0 82.8 95 97 A I < - 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