==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-10 3O5U . COMPND 2 MOLECULE: CHLOROCATECHOL 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS OPACUS; . AUTHOR M.FERRARONI,F.BRIGANTI,M.KOLOMITSEVA,L.GOLOVLEVA . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 15.0 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 1.2 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 . 1 0.2 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 . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 2 0 0 0 0 0 0 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 0 0 0 0 0 0 2 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 . 4 2 0 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 3 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 2 A A 0 0 111 0, 0.0 2,-0.4 0, 0.0 439,-0.2 0.000 360.0 360.0 360.0 138.9 -4.6 -28.5 -14.5 2 3 A N > - 0 0 76 438,-1.8 4,-1.6 437,-0.1 3,-0.0 -0.938 360.0-165.1-131.5 108.7 -5.6 -27.1 -11.1 3 4 A T H > S+ 0 0 93 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.852 87.2 59.8 -65.4 -39.8 -7.4 -23.7 -11.1 4 5 A R H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.952 108.0 46.4 -49.4 -56.1 -6.9 -23.0 -7.3 5 6 A V H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.866 112.1 50.4 -53.5 -43.9 -3.1 -23.1 -7.9 6 7 A I H X S+ 0 0 44 -4,-1.6 4,-1.9 434,-0.3 5,-0.3 0.975 109.5 50.1 -64.5 -53.7 -3.3 -20.9 -11.0 7 8 A E H X S+ 0 0 109 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.913 120.8 35.0 -42.8 -55.5 -5.4 -18.2 -9.3 8 9 A L H X S+ 0 0 19 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.882 111.8 56.7 -74.3 -44.1 -3.0 -18.0 -6.3 9 10 A F H X S+ 0 0 23 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.919 106.1 49.5 -62.5 -46.2 0.4 -18.6 -7.8 10 11 A D H X S+ 0 0 53 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.888 113.8 45.7 -62.5 -40.3 0.2 -15.7 -10.3 11 12 A E H X S+ 0 0 83 -4,-1.0 4,-2.5 -5,-0.3 -1,-0.2 0.917 112.9 52.5 -69.4 -35.8 -0.8 -13.3 -7.6 12 13 A F H X S+ 0 0 55 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.951 110.7 45.7 -59.6 -50.1 1.9 -14.7 -5.4 13 14 A T H X S+ 0 0 5 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.919 111.3 53.2 -64.1 -40.8 4.6 -14.2 -8.0 14 15 A D H X S+ 0 0 83 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.933 109.9 48.7 -55.7 -45.9 3.3 -10.7 -8.8 15 16 A L H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.910 111.5 47.2 -64.4 -44.4 3.6 -9.7 -5.1 16 17 A I H X S+ 0 0 19 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.903 111.8 52.4 -61.2 -41.9 7.1 -11.1 -4.6 17 18 A R H X S+ 0 0 51 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.940 110.8 45.2 -60.9 -48.6 8.2 -9.3 -7.8 18 19 A D H X S+ 0 0 106 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.903 112.3 54.8 -58.3 -38.5 6.8 -6.0 -6.6 19 20 A F H X S+ 0 0 23 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.922 106.1 50.7 -62.3 -41.6 8.5 -6.8 -3.3 20 21 A I H X>S+ 0 0 10 -4,-2.7 5,-2.1 2,-0.2 4,-0.6 0.901 115.7 41.5 -63.8 -42.2 11.8 -7.2 -5.0 21 22 A V H ><5S+ 0 0 85 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.955 114.0 50.7 -69.6 -49.4 11.5 -3.9 -6.8 22 23 A R H 3<5S+ 0 0 212 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 118.7 37.9 -62.4 -25.5 10.2 -1.9 -3.9 23 24 A H H 3<5S- 0 0 20 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.425 105.9-123.6-108.5 2.4 12.9 -3.2 -1.5 24 25 A E T <<5 - 0 0 67 -3,-1.0 2,-0.7 -4,-0.6 -3,-0.2 0.876 34.9-172.6 61.4 47.3 15.8 -3.1 -4.0 25 26 A I < - 0 0 15 -5,-2.1 294,-0.2 -6,-0.2 -1,-0.2 -0.603 13.0-160.2 -75.8 114.6 16.8 -6.8 -3.7 26 27 A T >> - 0 0 35 -2,-0.7 4,-2.7 292,-0.1 3,-1.1 -0.495 30.2 -90.9 -97.4 164.6 19.9 -7.1 -5.7 27 28 A T H 3> S+ 0 0 24 288,-0.3 4,-2.2 1,-0.3 5,-0.2 0.825 123.9 45.7 -29.9 -61.8 21.9 -10.0 -7.3 28 29 A P H 3> S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.860 114.4 48.4 -63.6 -31.2 24.1 -10.7 -4.3 29 30 A E H <> S+ 0 0 61 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.915 109.9 53.1 -69.7 -43.7 21.2 -10.6 -1.9 30 31 A Y H X S+ 0 0 13 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.914 108.7 48.5 -54.9 -51.1 19.2 -12.9 -4.1 31 32 A E H X S+ 0 0 100 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.888 111.1 51.7 -60.2 -41.1 22.0 -15.5 -4.1 32 33 A T H X S+ 0 0 101 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.936 111.9 45.9 -57.4 -47.2 22.2 -15.2 -0.3 33 34 A I H X S+ 0 0 78 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.937 113.5 50.0 -61.5 -48.1 18.5 -15.8 -0.1 34 35 A M H X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.890 111.7 46.4 -57.8 -47.2 18.8 -18.7 -2.5 35 36 A Q H X S+ 0 0 108 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.856 110.6 55.1 -68.7 -30.6 21.6 -20.3 -0.7 36 37 A Y H X S+ 0 0 37 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.912 106.5 49.1 -67.3 -40.8 19.7 -19.8 2.6 37 38 A M H X S+ 0 0 30 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 110.4 52.9 -61.7 -43.6 16.6 -21.6 1.2 38 39 A I H X S+ 0 0 34 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 110.1 46.9 -57.1 -47.6 18.9 -24.5 0.1 39 40 A S H X S+ 0 0 30 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.853 106.0 56.7 -70.9 -35.0 20.4 -24.7 3.5 40 41 A V H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.3 0.937 111.5 46.7 -55.1 -45.4 17.0 -24.7 5.3 41 42 A G H ><5S+ 0 0 28 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.913 109.3 52.8 -62.0 -44.4 16.1 -27.7 3.2 42 43 A E H 3<5S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.6 49.1 -65.7 -27.7 19.4 -29.5 3.8 43 44 A A T 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.411 111.6-122.4 -88.2 1.5 18.9 -29.1 7.6 44 45 A G T < 5S+ 0 0 59 -3,-1.7 4,-0.3 -5,-0.1 -3,-0.2 0.847 71.4 132.6 58.1 33.5 15.3 -30.5 7.3 45 46 A E >< + 0 0 21 -5,-2.6 4,-3.1 -6,-0.2 5,-0.2 0.357 25.4 104.0 -99.9 7.6 14.0 -27.3 8.9 46 47 A W H > S+ 0 0 8 -6,-0.3 4,-3.0 1,-0.2 5,-0.4 0.929 86.1 45.3 -57.8 -45.5 11.2 -26.3 6.5 47 48 A P H > S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.939 117.0 45.7 -62.0 -42.0 8.4 -27.5 9.0 48 49 A L H > S+ 0 0 25 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.888 118.2 43.6 -60.8 -41.4 10.3 -25.8 11.9 49 50 A W H X S+ 0 0 18 -4,-3.1 4,-1.5 2,-0.2 5,-0.2 0.970 116.5 43.1 -73.7 -58.0 10.8 -22.6 9.8 50 51 A L H X>S+ 0 0 12 -4,-3.0 4,-2.6 -5,-0.2 5,-1.0 0.915 114.5 51.9 -56.1 -43.7 7.3 -22.3 8.2 51 52 A D H X5S+ 0 0 6 -4,-2.5 4,-0.5 -5,-0.4 5,-0.5 0.920 106.0 55.0 -59.6 -43.2 5.6 -23.2 11.6 52 53 A A H <5S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.856 123.1 22.7 -57.2 -39.9 7.6 -20.5 13.4 53 54 A F H <5S+ 0 0 19 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.746 134.6 18.7-104.5 -27.9 6.5 -17.6 11.1 54 55 A F H >X5S+ 0 0 11 -4,-2.6 4,-1.7 -5,-0.2 3,-0.8 0.648 94.9 84.2-123.4 -21.7 3.3 -18.5 9.3 55 56 A E H 3X S+ 0 0 39 -5,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.905 107.7 47.1 -52.7 -38.6 -0.4 -18.9 13.6 57 58 A T H <> S+ 0 0 15 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.915 109.1 51.1 -73.0 -43.0 -2.0 -17.3 10.5 58 59 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.926 108.9 53.0 -58.6 -46.1 -3.1 -20.5 8.9 59 60 A D H X S+ 0 0 10 -4,-2.9 4,-3.8 1,-0.2 5,-0.4 0.928 105.5 55.8 -51.8 -48.7 -4.6 -21.5 12.2 60 61 A S H X S+ 0 0 70 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.897 108.0 46.4 -50.1 -50.5 -6.6 -18.2 12.3 61 62 A V H < S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.922 118.6 43.1 -60.1 -45.6 -8.2 -18.8 8.9 62 63 A S H < S+ 0 0 33 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.935 126.3 26.5 -68.4 -48.4 -9.0 -22.3 9.9 63 64 A Y H < S- 0 0 18 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.2 0.688 85.1-164.2 -99.4 -14.0 -10.4 -21.9 13.5 64 65 A G < - 0 0 46 -4,-2.4 2,-0.3 -5,-0.4 -1,-0.2 -0.263 30.8 -78.2 67.8-156.8 -11.6 -18.3 13.4 65 66 A K + 0 0 137 5,-0.1 2,-0.3 2,-0.0 4,-0.1 -0.992 64.7 96.0-146.6 161.2 -12.3 -16.6 16.8 66 67 A G S S- 0 0 43 -2,-0.3 188,-0.0 2,-0.3 -2,-0.0 -0.963 77.7 -23.4 165.0-154.5 -14.8 -16.6 19.6 67 68 A N S S+ 0 0 144 -2,-0.3 3,-0.1 2,-0.0 2,-0.1 0.542 103.1 86.3 -73.5 -15.7 -15.9 -18.0 22.9 68 69 A W S S- 0 0 57 1,-0.2 -2,-0.3 183,-0.0 185,-0.2 -0.265 94.8 -65.9 -85.2 172.0 -13.9 -21.2 22.6 69 70 A T - 0 0 3 183,-2.2 -1,-0.2 1,-0.1 2,-0.2 -0.262 56.5-111.2 -58.6 139.1 -10.4 -21.9 23.6 70 71 A S - 0 0 27 -3,-0.1 139,-0.2 1,-0.1 -1,-0.1 -0.497 29.5-120.8 -71.6 143.9 -7.7 -20.1 21.5 71 72 A S - 0 0 26 -2,-0.2 2,-0.3 137,-0.1 137,-0.3 -0.329 22.6-171.9 -69.3 158.4 -5.4 -22.0 19.1 72 73 A A - 0 0 4 135,-1.5 154,-0.1 -2,-0.1 153,-0.1 -0.945 42.7 -78.4-144.9 157.6 -1.7 -22.1 19.2 73 74 A I - 0 0 4 -2,-0.3 -17,-0.1 150,-0.1 135,-0.0 -0.102 23.8-140.5 -58.1 150.2 0.4 -23.7 16.5 74 75 A Q - 0 0 48 1,-0.1 3,-0.3 133,-0.1 -1,-0.1 0.882 39.4-163.0 -70.3 -37.0 0.8 -27.4 16.3 75 76 A G - 0 0 6 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 -0.257 37.0 -70.9 73.0-171.6 4.5 -27.0 15.4 76 77 A P S S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.513 113.0 79.2 -96.5 -4.4 6.6 -29.7 13.8 77 78 A F + 0 0 25 -3,-0.3 2,-0.2 -29,-0.0 -2,-0.1 0.159 58.3 119.2 -96.5 13.6 6.9 -32.1 16.8 78 79 A F - 0 0 24 -3,-0.4 2,-0.4 47,-0.0 47,-0.0 -0.513 41.9-163.6 -73.6 151.3 3.5 -33.9 16.9 79 80 A K - 0 0 77 -2,-0.2 3,-0.4 65,-0.0 -2,-0.0 -0.967 12.3-136.2-140.1 119.1 3.5 -37.7 16.5 80 81 A E S S+ 0 0 107 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.271 82.6 43.9 -64.6 156.2 0.3 -39.7 15.6 81 82 A G + 0 0 44 1,-0.2 -1,-0.2 67,-0.0 63,-0.1 0.734 68.7 169.5 81.7 22.3 -0.4 -43.0 17.5 82 83 A A - 0 0 6 -3,-0.4 -1,-0.2 66,-0.1 66,-0.2 -0.449 42.4 -99.0 -65.8 144.3 0.4 -41.8 21.1 83 84 A P - 0 0 50 0, 0.0 66,-2.6 0, 0.0 2,-0.3 -0.354 30.3-114.7 -74.2 147.8 -0.8 -44.4 23.6 84 85 A L B -a 149 0A 102 64,-0.2 2,-0.5 -3,-0.1 66,-0.2 -0.596 27.0-150.0 -75.5 130.8 -4.0 -44.2 25.5 85 86 A L + 0 0 28 64,-2.6 66,-0.4 -2,-0.3 5,-0.2 -0.913 31.3 156.1-110.3 122.0 -3.6 -43.7 29.3 86 87 A T + 0 0 107 -2,-0.5 -1,-0.1 3,-0.1 4,-0.1 0.382 34.3 122.3-125.4 1.5 -6.3 -45.1 31.6 87 88 A G S S- 0 0 49 2,-0.1 3,-0.4 4,-0.1 -2,-0.0 -0.030 75.6 -89.2 -52.6 164.7 -4.2 -45.5 34.7 88 89 A K S S+ 0 0 212 1,-0.5 2,-0.1 2,-0.0 -1,-0.1 -0.896 123.7 15.5-124.7 98.8 -5.4 -43.7 37.8 89 90 A P S S- 0 0 51 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.584 101.3-126.3 -98.2 165.6 -4.0 -41.4 37.4 90 91 A A - 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