==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-10 3O32 . COMPND 2 MOLECULE: CHLOROCATECHOL 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS OPACUS; . AUTHOR M.FERRARONI,F.BRIGANTI,KOLOMYTSEVA M.,GOLOVLEVA L. . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.5 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 26 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 19.2 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 2 0 0 0 0 0 0 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 . 3 2 0 3 3 3 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 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 87 0, 0.0 2,-0.4 0, 0.0 439,-0.1 0.000 360.0 360.0 360.0 106.6 19.3 68.2 263.7 2 3 A N > - 0 0 91 437,-0.5 4,-3.0 1,-0.1 5,-0.0 -0.650 360.0-145.5 -81.4 130.6 19.7 70.8 266.5 3 4 A T H > S+ 0 0 82 -2,-0.4 4,-3.2 2,-0.2 5,-0.5 0.813 103.3 64.5 -59.4 -32.4 22.4 73.5 266.0 4 5 A R H > S+ 0 0 79 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.994 109.8 36.2 -45.6 -66.9 22.8 73.2 269.8 5 6 A V H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.899 119.1 51.9 -58.1 -41.0 24.0 69.7 269.2 6 7 A I H X S+ 0 0 39 -4,-3.0 4,-2.2 433,-0.2 -2,-0.2 0.986 115.7 37.0 -62.6 -62.0 25.8 70.6 266.0 7 8 A E H X S+ 0 0 125 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.896 121.6 47.1 -52.6 -47.9 27.8 73.5 267.4 8 9 A L H X S+ 0 0 26 -4,-3.0 4,-3.0 -5,-0.5 -2,-0.2 0.961 111.4 46.8 -62.6 -56.0 28.4 71.8 270.7 9 10 A F H X S+ 0 0 24 -4,-2.6 4,-3.1 -5,-0.3 5,-0.2 0.893 111.1 54.1 -58.4 -40.3 29.4 68.4 269.6 10 11 A D H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.944 111.8 43.0 -58.4 -53.4 31.8 69.9 267.0 11 12 A E H X S+ 0 0 53 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.886 111.8 56.8 -55.5 -41.8 33.6 71.9 269.7 12 13 A F H X S+ 0 0 50 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.951 107.4 46.7 -58.8 -50.0 33.6 68.9 272.0 13 14 A T H X S+ 0 0 4 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.914 111.7 51.2 -59.4 -44.4 35.4 66.8 269.4 14 15 A D H X S+ 0 0 88 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.968 111.2 49.5 -54.0 -52.9 37.9 69.5 268.8 15 16 A L H X S+ 0 0 40 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.958 112.8 45.1 -48.3 -62.3 38.5 69.8 272.6 16 17 A I H X S+ 0 0 19 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.867 113.7 50.4 -55.2 -39.3 39.0 66.0 273.0 17 18 A R H X S+ 0 0 51 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.931 108.2 50.5 -68.4 -43.8 41.3 65.8 270.0 18 19 A D H X S+ 0 0 88 -4,-3.0 4,-3.8 -5,-0.2 -1,-0.2 0.873 109.1 56.2 -53.9 -34.6 43.5 68.7 271.1 19 20 A F H X S+ 0 0 14 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.984 105.0 47.8 -65.7 -61.4 43.6 66.8 274.4 20 21 A I H <>S+ 0 0 8 -4,-2.2 5,-2.5 1,-0.2 4,-0.4 0.879 117.5 44.9 -34.9 -53.6 44.9 63.5 272.9 21 22 A V H ><5S+ 0 0 86 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.953 112.5 49.5 -63.2 -55.7 47.5 65.6 271.0 22 23 A R H 3<5S+ 0 0 128 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.784 120.9 35.5 -53.1 -34.8 48.5 67.8 274.1 23 24 A H T 3<5S- 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.2 0.313 105.1-122.0-108.9 8.8 49.0 64.8 276.3 24 25 A E T < 5 - 0 0 135 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.2 0.915 34.1-159.4 48.6 52.6 50.4 62.3 273.8 25 26 A I < - 0 0 10 -5,-2.5 293,-0.2 -6,-0.2 -1,-0.2 -0.495 11.3-144.2 -66.7 114.8 47.6 59.9 274.5 26 27 A T > - 0 0 40 -2,-0.5 4,-3.8 -3,-0.2 3,-0.3 -0.330 19.3-110.0 -85.9 161.3 48.9 56.5 273.4 27 28 A T H > S+ 0 0 33 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.910 121.3 46.2 -51.8 -48.9 47.1 53.6 271.7 28 29 A P H > S+ 0 0 79 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.792 114.0 50.3 -71.1 -20.0 47.4 51.4 274.8 29 30 A E H > S+ 0 0 58 -3,-0.3 4,-2.5 2,-0.2 3,-0.3 0.954 111.0 48.4 -72.6 -49.9 46.2 54.4 276.8 30 31 A Y H X S+ 0 0 10 -4,-3.8 4,-2.9 1,-0.2 5,-0.2 0.872 110.3 51.1 -52.6 -44.6 43.3 54.8 274.5 31 32 A E H X S+ 0 0 99 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.831 109.8 50.4 -65.8 -35.4 42.4 51.1 274.7 32 33 A T H X S+ 0 0 96 -4,-1.2 4,-3.1 -3,-0.3 -2,-0.2 0.903 111.1 48.9 -65.5 -44.9 42.5 51.3 278.5 33 34 A I H X S+ 0 0 77 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.984 113.6 45.6 -56.9 -60.1 40.2 54.3 278.3 34 35 A M H X S+ 0 0 27 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.893 113.3 50.9 -47.6 -47.6 37.7 52.6 275.9 35 36 A Q H X S+ 0 0 106 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.967 109.2 50.2 -60.3 -49.6 37.9 49.5 278.1 36 37 A Y H X S+ 0 0 44 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.907 108.5 53.4 -53.1 -48.0 37.1 51.5 281.3 37 38 A M H >X S+ 0 0 33 -4,-2.8 4,-2.3 2,-0.2 3,-0.5 0.967 108.8 48.9 -48.3 -53.4 34.2 53.1 279.6 38 39 A I H 3X S+ 0 0 30 -4,-2.2 4,-2.8 1,-0.3 -2,-0.2 0.943 110.2 50.5 -57.8 -51.6 32.8 49.7 278.7 39 40 A S H 3X S+ 0 0 36 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.830 107.2 55.6 -52.0 -37.5 33.2 48.5 282.2 40 41 A V H <<>S+ 0 0 0 -4,-2.4 5,-2.8 -3,-0.5 3,-0.3 0.976 109.6 45.6 -62.2 -53.8 31.4 51.6 283.4 41 42 A G H ><5S+ 0 0 26 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.914 112.0 52.0 -49.9 -48.5 28.4 50.8 281.3 42 43 A E H 3<5S+ 0 0 156 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.8 52.3 -66.0 -31.3 28.4 47.1 282.4 43 44 A A T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.376 113.2-124.6 -76.8 5.2 28.5 48.0 286.0 44 45 A G T < 5S+ 0 0 61 -3,-1.9 4,-0.2 -4,-0.1 -3,-0.2 0.892 71.0 135.9 49.5 43.0 25.4 50.1 285.1 45 46 A E >< + 0 0 20 -5,-2.8 4,-2.4 -6,-0.2 5,-0.2 0.163 20.3 106.5-111.9 18.9 27.4 53.0 286.6 46 47 A W H > S+ 0 0 12 -6,-0.3 4,-3.2 2,-0.2 5,-0.4 0.977 83.7 45.3 -64.4 -51.9 27.0 55.8 284.2 47 48 A P H > S+ 0 0 39 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.937 116.7 46.5 -56.7 -45.8 24.6 57.9 286.3 48 49 A L H > S+ 0 0 21 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.892 116.2 47.0 -57.3 -40.2 26.8 57.3 289.4 49 50 A W H X S+ 0 0 17 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.963 116.2 40.0 -73.2 -51.7 29.9 58.2 287.4 50 51 A L H X>S+ 0 0 12 -4,-3.2 4,-2.8 2,-0.2 5,-0.9 0.921 115.4 50.7 -65.5 -43.9 28.7 61.4 285.7 51 52 A D H X>S+ 0 0 9 -4,-2.4 4,-1.7 -5,-0.4 5,-0.6 0.958 110.9 52.3 -58.7 -43.7 26.8 62.8 288.7 52 53 A A H <5S+ 0 0 4 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.895 121.3 27.9 -57.3 -47.1 30.0 62.2 290.8 53 54 A F H <5S+ 0 0 18 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.775 139.6 14.6 -91.2 -21.7 32.4 64.0 288.6 54 55 A F H >X5S+ 0 0 10 -4,-2.8 4,-1.6 -5,-0.2 3,-1.4 0.586 90.3 89.1-130.6 -19.6 30.0 66.5 287.0 55 56 A E H 3X S+ 0 0 11 -3,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.960 111.8 46.0 -79.4 -49.4 28.9 71.9 287.7 58 59 A V H >X S+ 0 0 1 -4,-1.6 4,-1.0 1,-0.2 3,-0.6 0.874 112.6 53.4 -54.8 -40.0 25.6 71.6 285.8 59 60 A D H >< S+ 0 0 18 -4,-2.9 3,-0.6 -5,-0.2 4,-0.4 0.903 104.5 55.7 -59.4 -44.9 23.8 72.4 289.1 60 61 A S H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.642 114.2 38.7 -69.2 -19.8 25.9 75.6 289.6 61 62 A V H << S+ 0 0 35 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.541 114.0 56.0-100.4 -8.1 24.9 76.9 286.2 62 63 A S S << S+ 0 0 44 -4,-1.0 2,-0.2 -3,-0.6 -2,-0.2 0.212 108.2 29.5-117.1 17.2 21.3 75.8 286.3 63 64 A Y S S- 0 0 57 -4,-0.4 -1,-0.2 -3,-0.1 2,-0.1 -0.833 79.1-120.1-170.6 138.5 19.7 77.3 289.5 64 65 A G - 0 0 39 -2,-0.2 7,-0.3 -3,-0.1 2,-0.3 -0.264 9.0-122.9 -86.6 160.2 20.6 80.5 291.4 65 66 A K + 0 0 141 5,-0.1 2,-0.3 -2,-0.1 4,-0.1 -0.732 59.2 107.7 -87.7 152.4 21.8 81.7 294.8 66 67 A G S S- 0 0 49 2,-0.4 4,-0.1 -2,-0.3 0, 0.0 -0.958 85.9 -41.9 164.8-158.1 19.5 84.2 296.6 67 68 A N S S+ 0 0 102 -2,-0.3 2,-0.3 2,-0.1 3,-0.1 0.285 108.7 85.7 -89.5 21.5 17.1 84.1 299.5 68 69 A W S S- 0 0 48 1,-0.1 -2,-0.4 -4,-0.1 185,-0.2 -0.765 97.5 -71.7-111.8 161.4 15.6 80.8 298.6 69 70 A T - 0 0 9 183,-1.6 2,-0.2 -2,-0.3 -1,-0.1 -0.128 54.1-111.1 -54.8 137.0 17.0 77.5 299.7 70 71 A S - 0 0 8 159,-0.1 139,-0.3 1,-0.1 -1,-0.1 -0.500 29.8-135.3 -69.7 138.0 20.1 76.5 297.9 71 72 A S - 0 0 8 -7,-0.3 137,-0.3 -2,-0.2 2,-0.3 -0.248 21.3-173.9 -75.9 175.6 19.9 73.6 295.5 72 73 A A - 0 0 2 135,-1.9 154,-0.1 -2,-0.1 153,-0.1 -0.928 38.7 -59.8-166.1 166.4 22.3 70.7 295.3 73 74 A I - 0 0 6 -2,-0.3 -17,-0.1 1,-0.1 152,-0.0 -0.084 30.8-146.0 -60.8 142.3 22.8 67.7 293.0 74 75 A Q - 0 0 49 133,-0.1 3,-0.4 121,-0.1 -1,-0.1 0.800 33.0-158.8 -70.6 -34.2 20.1 65.0 292.6 75 76 A G - 0 0 8 1,-0.2 3,-0.5 2,-0.1 -27,-0.1 -0.001 36.7 -71.9 65.3 176.8 22.6 62.2 292.2 76 77 A P S S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.313 112.0 78.9 -85.0 4.4 21.6 58.9 290.6 77 78 A F + 0 0 23 -3,-0.4 2,-0.2 -30,-0.1 -2,-0.1 0.276 57.4 122.5-109.9 16.9 19.3 57.4 293.3 78 79 A F - 0 0 32 -3,-0.5 2,-0.4 47,-0.1 69,-0.0 -0.548 37.7-170.3 -76.2 141.1 16.1 59.2 292.9 79 80 A K - 0 0 78 -2,-0.2 3,-0.4 0, 0.0 2,-0.1 -0.998 15.8-133.1-128.2 129.9 12.9 57.2 292.3 80 81 A E S S+ 0 0 110 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.315 81.6 40.0 -62.7 157.1 9.5 58.5 291.3 81 82 A G + 0 0 40 1,-0.2 -1,-0.2 -2,-0.1 63,-0.1 0.725 65.7 167.4 77.1 27.4 6.3 57.3 293.1 82 83 A A - 0 0 6 -3,-0.4 -1,-0.2 1,-0.1 66,-0.2 -0.439 44.4 -96.1 -67.0 149.5 7.4 57.1 296.7 83 84 A P - 0 0 54 0, 0.0 66,-2.9 0, 0.0 2,-0.2 -0.307 31.4-106.9 -73.1 147.8 4.4 56.6 299.0 84 85 A L B -a 149 0A 94 64,-0.2 2,-0.7 -3,-0.1 66,-0.2 -0.555 34.3-138.6 -62.8 126.6 2.7 59.4 300.8 85 86 A L + 0 0 20 64,-3.6 2,-0.4 -2,-0.2 66,-0.4 -0.875 29.2 173.5 -88.3 116.8 3.7 59.1 304.4 86 87 A T + 0 0 113 -2,-0.7 2,-0.3 5,-0.1 5,-0.2 -0.954 21.1 108.2-123.4 142.6 0.6 59.7 306.6 87 88 A G S S- 0 0 62 -2,-0.4 3,-0.5 1,-0.1 -2,-0.0 -0.974 76.3 -85.1 168.7 170.7 0.8 59.2 310.3 88 89 A K S S+ 0 0 75 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.814 132.1 5.0 -78.1 -34.3 0.9 60.1 314.0 89 90 A P S S- 0 0 68 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 -0.809 98.5-129.4-139.6 104.7 4.6 60.5 313.5 90 91 A A - 0 0 12 -3,-0.5 71,-1.8 -2,-0.3 2,-0.4 -0.257 29.4-169.9 -57.8 139.1 5.3 60.0 309.8 91 92 A T B -f 161 0B 55 -5,-0.2 71,-0.2 69,-0.2 -5,-0.1 -0.993 25.7-117.1-135.5 133.0 8.0 57.5 309.2 92 93 A L - 0 0 2 69,-1.7 56,-0.1 -2,-0.4 2,-0.0 -0.318 50.0 -96.8 -51.8 136.7 9.9 56.5 306.0 93 94 A P + 0 0 38 0, 0.0 53,-3.6 0, 0.0 54,-0.3 -0.457 57.6 174.7 -61.2 144.0 9.2 52.8 305.2 94 95 A M - 0 0 75 51,-0.2 3,-0.1 52,-0.1 2,-0.1 -0.942 33.7-101.2-150.6 149.8 12.1 50.9 306.8 95 96 A R > - 0 0 97 -2,-0.3 3,-1.6 1,-0.1 2,-0.1 -0.404 57.5 -79.0 -73.8 166.0 12.9 47.2 307.2 96 97 A A T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.428 117.4 4.0 -62.6 133.7 12.3 45.6 310.6 97 98 A D T 3 S- 0 0 162 1,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.687 85.4-170.7 56.4 25.0 15.1 46.5 312.9 98 99 A E < - 0 0 18 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.0 -0.246 29.2-108.4 -41.0 118.5 16.8 48.8 310.4 99 100 A P S S+ 0 0 75 0, 0.0 30,-0.3 0, 0.0 -1,-0.1 -0.147 70.4 52.1 -48.8 141.9 20.2 49.7 311.9 100 101 A G S S- 0 0 40 63,-0.1 2,-0.3 -3,-0.1 3,-0.1 -0.262 82.3 -47.3 120.4 167.6 20.9 53.2 313.2 101 102 A D - 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