==== 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 29-JUL-10 3O6R . 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) . 23826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.6 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 . 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 . 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 . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 20.1 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 2 1 0 0 1 1 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 . 4 2 1 3 3 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 . 4 0 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 2 A A 0 0 87 0, 0.0 2,-0.4 0, 0.0 439,-0.2 0.000 360.0 360.0 360.0 109.5 19.2 67.4 265.0 2 3 A N > - 0 0 90 438,-1.0 4,-2.1 1,-0.1 5,-0.1 -0.719 360.0-153.7 -81.4 129.8 19.4 69.3 268.4 3 4 A T H > S+ 0 0 91 -2,-0.4 4,-1.9 2,-0.2 5,-0.2 0.745 92.8 64.7 -83.6 -17.5 21.6 72.4 268.1 4 5 A R H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 109.9 38.8 -56.4 -47.5 22.3 72.2 271.8 5 6 A V H > S+ 0 0 50 2,-0.2 4,-2.6 3,-0.2 5,-0.4 0.901 110.8 55.9 -80.4 -36.2 24.0 68.9 271.3 6 7 A I H X S+ 0 0 43 -4,-2.1 4,-1.6 434,-0.3 5,-0.2 0.965 116.0 41.3 -56.9 -47.4 25.7 69.8 267.9 7 8 A E H X S+ 0 0 138 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.919 120.7 40.2 -66.1 -45.4 27.3 72.7 269.7 8 9 A L H X S+ 0 0 24 -4,-2.4 4,-2.8 2,-0.2 -3,-0.2 0.945 116.4 49.2 -67.7 -51.3 28.2 71.0 273.1 9 10 A F H X S+ 0 0 21 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.859 110.8 49.1 -54.4 -45.4 29.3 67.6 271.6 10 11 A D H X S+ 0 0 47 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.2 0.853 113.7 45.3 -68.3 -39.5 31.7 69.2 269.0 11 12 A E H X S+ 0 0 66 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.943 114.6 50.9 -65.5 -43.6 33.3 71.4 271.6 12 13 A F H X S+ 0 0 52 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.881 109.4 48.5 -67.7 -37.0 33.5 68.3 273.8 13 14 A T H >X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 3,-0.6 0.997 111.2 50.8 -62.4 -54.2 35.1 66.2 271.2 14 15 A D H 3X S+ 0 0 93 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.779 111.1 50.6 -51.4 -34.9 37.7 68.9 270.4 15 16 A L H 3X S+ 0 0 33 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.896 109.8 47.0 -65.6 -45.6 38.5 69.2 274.2 16 17 A I H S+ 0 0 8 -4,-2.6 5,-2.3 2,-0.2 -2,-0.2 0.862 114.6 43.1 -37.3 -54.0 44.7 63.1 274.9 21 22 A V H ><5S+ 0 0 75 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.971 113.9 49.8 -68.9 -54.0 47.5 65.0 273.1 22 23 A R H 3<5S+ 0 0 175 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 122.1 34.8 -45.1 -38.0 48.5 67.1 276.2 23 24 A H T 3<5S- 0 0 26 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.228 106.5-122.8-110.9 13.3 48.7 64.0 278.4 24 25 A E T < 5 - 0 0 136 -3,-1.5 2,-0.8 -4,-0.2 -3,-0.2 0.949 29.8-158.8 38.8 69.4 50.0 61.5 275.8 25 26 A I < - 0 0 12 -5,-2.3 293,-0.2 289,-0.1 -1,-0.2 -0.707 12.2-155.6 -78.4 114.0 47.1 59.1 276.2 26 27 A T > - 0 0 42 -2,-0.8 4,-4.1 -3,-0.2 290,-0.1 -0.432 24.6-103.5 -84.4 171.3 48.5 55.9 274.9 27 28 A T H > S+ 0 0 33 2,-0.3 4,-4.4 1,-0.2 5,-0.3 0.931 119.6 44.6 -62.4 -50.8 46.7 52.9 273.5 28 29 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.937 116.5 48.9 -65.2 -37.2 46.9 50.6 276.5 29 30 A E H >> S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.972 114.5 46.6 -55.6 -51.4 46.0 53.5 278.6 30 31 A Y H >X S+ 0 0 13 -4,-4.1 4,-2.2 1,-0.2 3,-0.6 0.972 109.7 51.9 -55.7 -56.8 43.2 54.1 276.2 31 32 A E H 3X S+ 0 0 88 -4,-4.4 4,-1.5 1,-0.3 -1,-0.2 0.734 110.0 51.1 -50.4 -29.5 42.2 50.4 276.2 32 33 A T H X S+ 0 0 33 -4,-2.7 4,-1.8 1,-0.2 3,-1.7 0.959 105.2 54.9 -59.8 -51.4 33.8 52.2 281.4 38 39 A I H >X S+ 0 0 41 -4,-2.2 4,-1.8 -5,-0.3 3,-0.9 0.936 107.5 50.2 -43.5 -50.4 32.5 49.0 280.0 39 40 A S H 3X S+ 0 0 35 -4,-1.8 4,-0.8 1,-0.3 -1,-0.3 0.636 103.0 59.4 -75.2 -12.0 32.7 47.5 283.5 40 41 A V H <<>S+ 0 0 0 -3,-1.7 5,-1.6 -4,-0.8 6,-0.4 0.803 104.3 52.7 -77.1 -34.1 30.9 50.5 285.0 41 42 A G H X<5S+ 0 0 21 -4,-1.8 3,-3.7 -3,-0.9 -2,-0.2 0.999 107.3 51.0 -51.3 -70.3 28.1 49.5 282.7 42 43 A E H 3<5S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.610 109.7 47.5 -50.5 -25.3 28.0 46.0 283.9 43 44 A A T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -3,-0.0 -2,-0.2 0.426 107.9-124.7 -96.7 -0.4 27.8 46.9 287.7 44 45 A G T < 5S+ 0 0 58 -3,-3.7 -3,-0.2 -4,-0.4 -2,-0.1 0.672 70.3 131.5 67.5 26.0 25.0 49.4 286.8 45 46 A E >< + 0 0 22 -5,-1.6 4,-3.5 1,-0.2 5,-0.3 0.145 23.7 108.5 -98.0 12.9 27.0 52.3 288.5 46 47 A W H > S+ 0 0 7 -6,-0.4 4,-2.5 1,-0.3 5,-0.3 0.928 84.4 48.0 -60.0 -39.4 26.8 55.0 285.9 47 48 A P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.845 116.1 43.7 -73.6 -26.6 24.5 57.0 288.0 48 49 A L H > S+ 0 0 17 2,-0.2 4,-3.3 3,-0.2 5,-0.2 0.962 113.9 49.4 -76.7 -53.6 26.7 56.5 291.1 49 50 A W H X S+ 0 0 18 -4,-3.5 4,-1.8 2,-0.2 5,-0.2 0.893 118.0 39.3 -50.1 -48.8 30.0 57.2 289.3 50 51 A L H X>S+ 0 0 13 -4,-2.5 4,-4.2 -5,-0.3 5,-0.5 0.949 118.3 44.8 -72.9 -53.2 28.7 60.4 287.7 51 52 A D H X>S+ 0 0 9 -4,-1.7 4,-1.7 -5,-0.3 5,-0.6 0.920 110.0 61.2 -51.5 -43.5 26.7 61.8 290.6 52 53 A A H <5S+ 0 0 2 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.940 121.7 19.3 -48.8 -55.3 29.8 60.8 292.8 53 54 A F H <5S+ 0 0 16 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.844 138.0 23.8 -91.5 -30.9 32.0 63.1 291.0 54 55 A F H X5S+ 0 0 10 -4,-4.2 4,-2.2 -5,-0.2 5,-0.3 0.471 87.9 87.1-120.6 -3.0 29.7 65.7 289.2 55 56 A E H X> S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 3,-0.8 0.935 112.5 48.1 -71.8 -42.7 28.8 70.8 289.9 58 59 A V H 3X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.3 -2,-0.2 0.901 110.7 55.2 -66.4 -27.0 25.6 70.5 288.0 59 60 A D H 3X S+ 0 0 17 -4,-3.4 4,-0.8 -5,-0.3 -1,-0.3 0.759 103.2 55.5 -75.5 -22.5 23.9 71.4 291.2 60 61 A S H << S+ 0 0 71 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.795 112.2 40.5 -76.2 -32.5 25.9 74.6 291.5 61 62 A V H < S+ 0 0 35 -4,-1.6 -2,-0.2 221,-0.2 -1,-0.2 0.830 113.3 59.6 -79.2 -24.8 24.9 75.9 288.1 62 63 A S H < S+ 0 0 55 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.637 110.8 21.1 -79.0 -24.8 21.3 74.7 288.7 63 64 A Y < - 0 0 47 -4,-0.8 2,-0.3 -5,-0.1 7,-0.0 -0.937 68.3-133.8-145.3 160.3 20.3 76.6 291.9 64 65 A G - 0 0 44 -2,-0.3 2,-0.2 -3,-0.0 7,-0.1 -0.898 15.6-121.2-122.5 153.2 21.3 79.8 293.7 65 66 A K + 0 0 163 -2,-0.3 2,-0.3 5,-0.1 4,-0.1 -0.625 55.0 107.4 -86.9 148.0 22.0 80.7 297.4 66 67 A G S S- 0 0 42 2,-0.3 2,-0.6 -2,-0.2 4,-0.0 -0.849 81.3 -22.1-179.8-135.4 20.1 83.5 299.2 67 68 A N S S+ 0 0 95 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.091 114.1 57.1 -94.9 41.0 17.4 83.7 301.8 68 69 A W S S- 0 0 65 -2,-0.6 -2,-0.3 184,-0.1 2,-0.3 -0.615 99.8 -51.7-145.9-164.0 16.0 80.2 301.5 69 70 A T - 0 0 6 183,-2.6 2,-0.2 -2,-0.2 185,-0.1 -0.619 53.9-121.7 -87.8 144.3 17.2 76.5 301.7 70 71 A S - 0 0 11 -2,-0.3 -5,-0.1 159,-0.1 157,-0.1 -0.576 22.1-124.6 -84.4 145.8 20.3 75.4 299.6 71 72 A S + 0 0 7 -2,-0.2 2,-0.3 -12,-0.1 137,-0.3 -0.338 29.5 180.0 -74.8 170.7 20.0 72.6 297.2 72 73 A A - 0 0 2 135,-1.8 154,-0.1 136,-0.0 135,-0.0 -0.890 38.6 -66.3-159.5 166.4 22.3 69.7 297.4 73 74 A I - 0 0 9 -2,-0.3 -1,-0.0 152,-0.2 -22,-0.0 0.088 23.0-151.8 -64.0 166.8 22.5 66.6 295.3 74 75 A Q > - 0 0 51 1,-0.1 3,-0.6 133,-0.1 4,-0.4 0.549 36.0-166.1-113.9 -27.5 19.9 63.8 295.1 75 76 A G T 3 - 0 0 12 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 -0.104 40.3 -54.7 63.2-161.3 22.4 61.2 294.3 76 77 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.431 117.0 65.8 -92.5 -4.0 21.7 57.8 292.9 77 78 A F < + 0 0 28 -3,-0.6 -2,-0.1 -29,-0.0 49,-0.1 0.414 58.5 121.1-117.9 8.5 19.2 56.4 295.4 78 79 A F - 0 0 30 -4,-0.4 2,-0.3 -3,-0.3 47,-0.0 -0.337 39.7-165.9 -59.0 151.0 15.9 58.4 295.4 79 80 A K > - 0 0 77 -2,-0.0 3,-0.6 65,-0.0 -2,-0.0 -0.999 13.6-126.1-144.9 136.1 12.7 56.4 294.6 80 81 A E T 3 S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.248 82.4 30.6 -84.2 171.1 9.3 57.7 293.7 81 82 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.2 67,-0.0 3,-0.1 0.595 72.6 170.7 57.6 18.1 5.9 56.9 295.2 82 83 A A < - 0 0 4 -3,-0.6 66,-0.2 1,-0.1 -1,-0.2 -0.269 40.8 -87.0 -54.6 151.9 7.3 56.3 298.8 83 84 A P - 0 0 51 0, 0.0 66,-2.3 0, 0.0 2,-0.3 -0.293 30.5-111.0 -81.3 136.6 4.5 56.1 301.4 84 85 A L B -a 149 0A 104 64,-0.2 2,-0.8 -3,-0.1 66,-0.2 -0.407 28.9-148.7 -52.2 115.1 2.6 58.7 303.4 85 86 A L + 0 0 32 64,-2.3 2,-0.3 -2,-0.3 66,-0.3 -0.875 25.2 166.6 -90.5 115.7 3.5 58.4 307.1 86 87 A T + 0 0 118 -2,-0.8 2,-0.3 5,-0.1 5,-0.2 -0.936 23.1 123.1-115.6 150.5 0.7 59.4 309.3 87 88 A G S S- 0 0 60 -2,-0.3 3,-0.4 1,-0.1 -2,-0.0 -0.989 76.5 -82.8 172.3 164.3 0.9 58.6 313.0 88 89 A K S S- 0 0 78 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.916 133.7 -4.2 -59.1 -48.7 1.0 59.2 316.7 89 90 A P S S- 0 0 63 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.913 96.4-120.5-133.0 127.9 4.6 60.0 315.8 90 91 A A - 0 0 14 69,-0.5 71,-2.0 -3,-0.4 2,-0.4 -0.453 33.6-170.1 -75.9 137.9 5.4 59.4 312.1 91 92 A T B -e 161 0B 55 69,-0.2 71,-0.2 -5,-0.2 3,-0.1 -0.985 27.8-109.8-138.3 122.2 8.1 56.8 311.7 92 93 A L - 0 0 2 69,-1.3 56,-0.1 -2,-0.4 71,-0.1 -0.177 49.4 -98.8 -43.1 125.1 10.0 55.8 308.6 93 94 A P + 0 0 34 0, 0.0 53,-3.1 0, 0.0 54,-0.3 -0.309 66.0 160.2 -47.3 131.4 9.0 52.3 307.7 94 95 A M - 0 0 71 51,-0.2 2,-0.1 -3,-0.1 3,-0.1 -0.946 35.7 -80.0-155.6 171.5 11.8 50.2 309.1 95 96 A R > - 0 0 89 -2,-0.3 3,-3.0 1,-0.1 50,-0.0 -0.422 48.0 -91.7 -85.9 151.1 12.9 46.8 310.3 96 97 A A T 3 S- 0 0 86 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.332 118.6 -0.9 -40.2 126.5 12.3 44.9 313.4 97 98 A D T 3 S- 0 0 158 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.584 87.9-170.1 56.8 19.2 15.3 45.8 315.5 98 99 A E < - 0 0 15 -3,-3.0 -1,-0.2 1,-0.1 -4,-0.0 -0.161 33.9-104.7 -37.8 116.5 16.7 48.0 312.7 99 100 A P S S+ 0 0 78 0, 0.0 30,-0.3 0, 0.0 2,-0.2 -0.194 76.0 49.3 -57.2 142.3 20.3 48.8 314.0 100 101 A G S S- 0 0 45 -3,-0.1 2,-0.2 63,-0.1 28,-0.0 -0.527 83.9 -54.5 128.1 174.8 21.0 52.2 315.4 101 102 A D - 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