==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-10 2XSR . 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) . 17849.0 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 . 73 23.6 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 0 1 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 65 0, 0.0 2,-1.1 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 -12.4 15.0 99.8 46.5 2 -2 A H + 0 0 124 1,-0.2 3,-0.1 44,-0.1 44,-0.1 -0.639 360.0 161.7 -80.2 104.5 18.2 101.3 45.2 3 -1 A H + 0 0 134 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.644 66.9 27.8 -94.8 -20.8 20.9 99.9 47.5 4 0 A H - 0 0 72 37,-0.1 -1,-0.2 38,-0.1 2,-0.1 -0.995 69.8-143.9-141.5 139.1 23.8 100.6 45.1 5 2 A N > - 0 0 73 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.452 40.7 -95.3 -92.1 174.7 24.4 103.3 42.4 6 3 A R H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.845 124.8 53.5 -67.0 -32.9 26.3 102.5 39.2 7 4 A Q H > S+ 0 0 163 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 112.2 45.4 -59.0 -49.0 29.6 103.9 40.6 8 5 A Q H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.863 113.7 49.8 -62.1 -40.7 29.3 101.6 43.6 9 6 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.932 110.7 49.4 -62.9 -48.7 28.3 98.6 41.3 10 7 A D H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.917 110.3 51.1 -59.7 -40.6 31.3 99.2 39.0 11 8 A A H X S+ 0 0 43 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.917 111.9 46.6 -61.8 -46.2 33.6 99.3 42.0 12 9 A L H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.913 111.7 50.0 -63.2 -43.2 32.3 96.0 43.4 13 10 A V H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.921 113.2 47.6 -63.2 -40.7 32.5 94.2 40.0 14 11 A K H X>S+ 0 0 109 -4,-2.3 5,-2.7 -5,-0.3 4,-2.2 0.928 110.3 51.5 -63.7 -47.0 36.1 95.5 39.7 15 12 A Q H <5S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 118.6 37.7 -56.5 -42.7 37.0 94.4 43.2 16 13 A M H <5S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.854 130.9 21.9 -80.4 -35.5 35.7 90.9 42.6 17 14 A N H <5S+ 0 0 69 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.570 131.3 28.2-115.3 -11.5 36.6 90.2 39.0 18 15 A V T ><5S+ 0 0 41 -4,-2.2 3,-1.8 -5,-0.3 -3,-0.2 0.737 115.1 51.8-118.4 -50.5 39.5 92.4 38.0 19 16 A D T 3 - 0 0 97 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.827 29.8-158.3 -82.2 107.0 42.1 87.2 28.3 27 24 A E H > S+ 0 0 162 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.831 85.0 49.6 -62.6 -37.5 41.4 90.9 27.9 28 25 A R H > S+ 0 0 162 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 112.5 46.8 -66.2 -46.7 38.3 90.5 25.7 29 26 A I H > S+ 0 0 104 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.931 112.9 50.4 -61.8 -45.8 36.7 88.0 28.0 30 27 A Q H X S+ 0 0 63 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.940 110.7 49.9 -54.6 -47.5 37.5 90.2 31.0 31 28 A Q H X S+ 0 0 113 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.920 113.5 44.6 -57.3 -49.0 35.9 93.2 29.2 32 29 A V H X S+ 0 0 59 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.938 113.6 49.6 -66.4 -45.7 32.7 91.3 28.3 33 30 A V H X S+ 0 0 65 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.927 111.3 49.1 -56.9 -47.2 32.3 89.8 31.8 34 31 A V H X S+ 0 0 46 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.908 114.5 45.8 -61.7 -42.9 32.8 93.1 33.6 35 32 A R H X S+ 0 0 163 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.962 116.2 43.0 -64.9 -52.9 30.2 94.8 31.3 36 33 A L H X S+ 0 0 111 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.879 115.0 49.0 -66.1 -37.7 27.5 92.1 31.5 37 34 A L H X S+ 0 0 45 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.930 111.8 48.9 -69.0 -43.7 27.9 91.6 35.2 38 35 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.920 112.5 49.5 -58.5 -41.6 27.7 95.3 35.9 39 36 A D H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.921 110.3 50.0 -64.3 -43.6 24.6 95.5 33.7 40 37 A L H X S+ 0 0 94 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.930 110.7 49.0 -57.5 -47.8 23.0 92.5 35.6 41 38 A F H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.899 111.2 50.6 -61.3 -40.6 23.6 94.2 39.0 42 39 A Q H X S+ 0 0 31 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.876 110.1 48.8 -65.5 -38.7 22.1 97.5 37.8 43 40 A A H X S+ 0 0 39 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.886 108.6 54.5 -69.1 -39.0 19.0 95.7 36.5 44 41 A I H X>S+ 0 0 39 -4,-2.5 5,-2.1 -5,-0.2 4,-0.5 0.938 113.7 42.3 -56.3 -44.8 18.7 93.9 39.8 45 42 A E H ><5S+ 0 0 22 -4,-2.3 3,-0.7 3,-0.2 -2,-0.2 0.943 116.2 47.3 -64.0 -51.6 18.8 97.3 41.6 46 43 A D H 3<5S+ 0 0 86 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 123.2 32.4 -63.3 -39.6 16.4 99.1 39.1 47 44 A L H 3<5S- 0 0 129 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.365 104.3-126.1 -95.4 2.1 13.8 96.3 39.0 48 45 A D T <<5 - 0 0 80 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.952 34.7-163.8 47.0 57.3 14.4 95.3 42.7 49 46 A I < - 0 0 48 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.0 -0.588 9.2-135.9 -76.4 127.2 14.9 91.7 41.7 50 47 A Q >> - 0 0 84 -2,-0.4 4,-2.2 -3,-0.1 3,-0.6 -0.427 18.4-111.7 -83.8 157.2 14.7 89.4 44.7 51 48 A P H 3> S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.906 119.0 55.3 -53.0 -43.1 17.0 86.5 45.5 52 49 A S H 3> S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.854 108.3 49.4 -59.2 -33.8 14.2 84.0 44.8 53 50 A E H <> S+ 0 0 105 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.892 109.0 50.9 -72.2 -42.5 13.8 85.5 41.4 54 51 A V H X S+ 0 0 48 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 111.6 48.4 -57.3 -46.5 17.5 85.4 40.6 55 52 A W H X S+ 0 0 150 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.908 109.9 51.4 -64.4 -40.3 17.6 81.7 41.6 56 53 A K H X S+ 0 0 141 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.881 109.6 51.5 -60.6 -39.8 14.5 80.9 39.5 57 54 A G H X S+ 0 0 36 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 112.4 44.8 -60.3 -45.6 16.2 82.6 36.5 58 55 A L H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.873 111.6 52.2 -70.6 -35.7 19.4 80.6 37.0 59 56 A E H X S+ 0 0 103 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.902 109.7 50.7 -65.9 -39.9 17.4 77.3 37.4 60 57 A Y H X S+ 0 0 52 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.950 111.0 47.6 -59.8 -50.1 15.6 78.1 34.2 61 58 A L H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.893 111.7 51.1 -60.4 -40.0 18.9 78.7 32.3 62 59 A T H X S+ 0 0 78 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.940 112.1 46.1 -58.2 -48.9 20.3 75.4 33.8 63 60 A D H X S+ 0 0 87 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.884 111.1 53.3 -66.0 -39.5 17.2 73.5 32.6 64 61 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 6,-0.4 0.903 110.2 46.8 -61.1 -42.6 17.4 75.1 29.2 65 62 A G H ><5S+ 0 0 33 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.901 110.4 52.8 -66.5 -42.6 21.0 74.0 28.8 66 63 A Q H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.0 47.0 -60.4 -32.7 20.2 70.5 29.9 67 64 A A T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.399 111.7-123.2 -86.0 0.7 17.4 70.4 27.3 68 65 A N T < 5S+ 0 0 151 -3,-1.3 -3,-0.2 -4,-0.2 4,-0.2 0.876 75.3 125.6 54.6 42.6 19.8 71.7 24.6 69 66 A E >< + 0 0 14 -5,-2.8 4,-2.4 1,-0.1 -4,-0.2 0.305 28.8 98.9-112.8 5.3 17.4 74.6 24.0 70 67 A L H > S+ 0 0 80 -6,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.825 86.4 51.9 -65.8 -30.1 19.5 77.8 24.5 71 68 A G H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 110.9 48.4 -65.9 -42.6 19.9 78.1 20.6 72 69 A L H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.875 110.1 50.9 -63.2 -37.7 16.1 77.8 20.3 73 70 A L H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 6,-0.3 0.903 106.9 54.5 -66.9 -40.3 15.7 80.5 23.1 74 71 A A H X>S+ 0 0 27 -4,-2.2 6,-2.2 2,-0.2 5,-1.0 0.893 111.9 44.9 -59.6 -40.4 18.1 82.8 21.2 75 72 A A H ><5S+ 0 0 3 -4,-1.9 3,-0.8 4,-0.2 6,-0.3 0.965 114.6 48.0 -65.3 -47.8 15.9 82.4 18.0 76 73 A G H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.814 109.9 49.2 -67.1 -35.0 12.6 82.9 19.9 77 74 A L H 3<5S- 0 0 92 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.625 116.0-114.5 -79.6 -12.0 13.7 86.0 21.9 78 75 A G T S+ 0 0 17 -6,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.954 111.9 46.0 -62.8 -45.3 19.5 85.5 16.5 81 78 A H H > S+ 0 0 50 -7,-0.3 4,-2.1 -6,-0.3 3,-0.3 0.890 107.6 59.0 -60.7 -40.2 17.6 87.8 14.2 82 79 A Y H X S+ 0 0 136 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 100.0 56.2 -57.9 -40.4 19.2 90.8 15.9 83 80 A L H X S+ 0 0 100 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.883 108.2 48.5 -58.2 -40.0 22.7 89.5 14.9 84 81 A D H X S+ 0 0 27 -4,-1.2 4,-2.8 -3,-0.3 -1,-0.2 0.868 107.0 54.4 -65.1 -42.8 21.5 89.5 11.2 85 82 A L H X S+ 0 0 86 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 111.7 46.5 -56.2 -43.0 20.1 93.0 11.5 86 83 A R H X S+ 0 0 168 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.916 111.2 50.3 -64.8 -43.4 23.6 94.1 12.7 87 84 A A H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 110.0 51.2 -63.8 -39.5 25.4 92.1 9.9 88 85 A D H X S+ 0 0 41 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.895 111.0 48.3 -62.2 -42.3 23.1 93.8 7.3 89 86 A E H X S+ 0 0 110 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 110.7 50.2 -67.6 -43.0 24.0 97.2 8.8 90 87 A A H X S+ 0 0 47 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.899 112.1 49.1 -56.7 -42.2 27.8 96.5 8.7 91 88 A D H <>S+ 0 0 15 -4,-2.4 5,-2.5 2,-0.2 4,-0.5 0.915 109.7 50.6 -67.6 -40.6 27.5 95.3 5.1 92 89 A A H ><5S+ 0 0 61 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.922 108.2 52.6 -60.3 -43.1 25.5 98.5 4.1 93 90 A K H 3<5S+ 0 0 163 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.2 52.6 -64.6 -26.5 28.2 100.6 5.8 94 91 A A T 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.509 118.3-113.6 -81.1 -8.9 30.8 98.7 3.6 95 92 A G T < 5 + 0 0 56 -3,-1.5 2,-0.6 -4,-0.5 -3,-0.2 0.672 62.3 154.9 81.1 18.8 28.8 99.5 0.4 96 93 A I < + 0 0 33 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.714 11.9 163.5 -81.3 118.2 27.9 95.8 -0.1 97 94 A T + 0 0 117 -2,-0.6 -5,-0.0 -3,-0.1 0, 0.0 -0.840 34.8 35.8-126.7 166.4 24.8 95.6 -2.1 98 95 A G + 0 0 50 -2,-0.3 193,-0.1 1,-0.2 45,-0.1 -0.069 60.1 109.1 78.2 175.0 23.2 92.8 -4.0 99 96 A G S S- 0 0 20 191,-0.2 191,-0.2 44,-0.1 -1,-0.2 0.123 80.7 -68.3 96.1 146.1 23.2 89.1 -3.2 100 97 A T S S- 0 0 24 189,-2.4 191,-0.1 1,-0.1 158,-0.1 -0.486 70.1-100.8 -58.2 138.3 20.3 87.0 -2.0 101 98 A P - 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