==== 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 3O6J . 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) . 23390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 61.5 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 . 70 13.7 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 . 1 0.2 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 0 108 0, 0.0 2,-0.4 0, 0.0 440,-0.2 0.000 360.0 360.0 360.0 136.6 19.3 67.9 259.5 2 3 A N > - 0 0 77 438,-1.8 4,-2.5 1,-0.1 5,-0.1 -0.966 360.0-162.8-147.8 116.1 19.9 69.8 262.7 3 4 A T H > S+ 0 0 93 -2,-0.4 4,-3.2 2,-0.3 5,-0.3 0.868 94.6 52.0 -82.9 -35.9 22.0 72.9 262.7 4 5 A R H > S+ 0 0 85 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.992 115.8 45.4 -49.9 -60.8 22.6 72.9 266.5 5 6 A V H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -2,-0.3 0.865 113.0 50.1 -54.6 -37.0 23.7 69.3 265.8 6 7 A I H X S+ 0 0 50 -4,-2.5 4,-2.3 434,-0.2 5,-0.3 0.989 114.7 42.1 -67.3 -54.0 25.7 70.4 262.8 7 8 A E H X S+ 0 0 126 -4,-3.2 4,-1.8 2,-0.2 5,-0.3 0.922 117.8 43.7 -59.8 -50.9 27.6 73.2 264.5 8 9 A L H X S+ 0 0 23 -4,-3.1 4,-3.5 -5,-0.3 -1,-0.2 0.967 113.9 50.9 -61.4 -49.5 28.3 71.4 267.8 9 10 A F H X S+ 0 0 24 -4,-1.8 4,-2.7 -5,-0.4 -1,-0.2 0.853 108.8 49.0 -60.6 -39.3 29.4 68.2 266.2 10 11 A D H X S+ 0 0 49 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.942 115.6 43.7 -67.5 -43.0 31.8 69.6 263.7 11 12 A E H X S+ 0 0 60 -4,-1.8 4,-2.9 -5,-0.3 5,-0.2 0.938 110.7 57.8 -61.7 -42.6 33.5 71.6 266.4 12 13 A F H X S+ 0 0 54 -4,-3.5 4,-2.6 -5,-0.3 -2,-0.2 0.939 110.3 42.2 -55.9 -45.3 33.3 68.6 268.6 13 14 A T H X S+ 0 0 2 -4,-2.7 4,-3.6 1,-0.2 -1,-0.2 0.913 110.6 53.7 -72.6 -43.9 35.3 66.5 266.2 14 15 A D H X S+ 0 0 85 -4,-2.7 4,-3.4 2,-0.2 -1,-0.2 0.874 111.7 49.4 -53.8 -38.6 37.9 69.2 265.3 15 16 A L H X S+ 0 0 25 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.994 111.3 45.0 -64.0 -58.4 38.5 69.5 269.0 16 17 A I H X S+ 0 0 18 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.920 113.9 52.3 -53.7 -42.9 38.9 65.9 269.6 17 18 A R H X S+ 0 0 55 -4,-3.6 4,-2.2 1,-0.3 -1,-0.2 0.947 110.5 46.6 -58.4 -52.4 41.1 65.8 266.4 18 19 A D H X S+ 0 0 97 -4,-3.4 4,-2.6 2,-0.2 5,-0.3 0.908 112.9 52.8 -42.5 -47.1 43.2 68.6 267.8 19 20 A F H X S+ 0 0 20 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.980 107.6 47.6 -64.7 -60.4 43.3 66.7 271.1 20 21 A I H X>S+ 0 0 12 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.860 115.2 49.8 -34.8 -50.3 44.5 63.4 269.7 21 22 A V H ><5S+ 0 0 70 -4,-2.2 3,-1.9 -5,-0.3 -2,-0.2 0.983 110.1 42.9 -66.6 -59.5 47.2 65.3 267.8 22 23 A R H 3<5S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.721 119.2 47.0 -64.1 -20.0 48.8 67.6 270.4 23 24 A H H 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.459 106.0-125.6-101.9 0.4 48.8 64.7 272.8 24 25 A E T <<5 - 0 0 138 -3,-1.9 2,-0.9 -4,-0.5 -3,-0.2 0.939 27.9-160.6 52.8 54.7 50.2 62.0 270.4 25 26 A I < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.532 11.6-147.9 -67.7 105.1 47.4 59.6 271.0 26 27 A T >> - 0 0 51 -2,-0.9 4,-2.3 -3,-0.2 3,-1.4 -0.476 21.3-109.9 -80.4 143.8 48.9 56.3 269.8 27 28 A T H 3> S+ 0 0 45 288,-0.4 4,-2.2 1,-0.3 5,-0.1 0.769 119.9 51.8 -32.3 -49.2 46.9 53.5 268.2 28 29 A P H 3> S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.895 112.0 47.0 -63.2 -38.0 47.3 51.2 271.3 29 30 A E H <> S+ 0 0 53 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.960 110.1 53.4 -64.0 -53.1 46.0 54.1 273.4 30 31 A Y H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.853 110.7 47.6 -40.4 -47.0 43.2 54.6 270.9 31 32 A E H X S+ 0 0 75 -4,-2.2 4,-3.9 -5,-0.2 -1,-0.2 0.931 107.3 53.3 -72.2 -46.6 42.2 51.0 271.3 32 33 A T H X S+ 0 0 95 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.849 110.6 50.6 -51.7 -38.7 42.3 50.9 275.0 33 34 A I H X S+ 0 0 74 -4,-2.2 4,-4.3 2,-0.2 5,-0.3 0.992 112.2 44.0 -60.1 -66.5 39.9 53.9 274.9 34 35 A M H X S+ 0 0 29 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.944 114.2 51.0 -40.1 -59.1 37.5 52.2 272.5 35 36 A Q H X S+ 0 0 111 -4,-3.9 4,-2.8 2,-0.2 -2,-0.2 0.939 114.5 45.1 -46.9 -50.7 37.8 49.0 274.7 36 37 A Y H X S+ 0 0 40 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.968 112.0 50.2 -54.3 -60.8 37.1 51.2 277.7 37 38 A M H X S+ 0 0 33 -4,-4.3 4,-1.2 1,-0.2 3,-0.5 0.882 113.1 47.7 -48.4 -43.9 34.2 53.0 276.0 38 39 A I H >X S+ 0 0 33 -4,-3.4 4,-2.1 -5,-0.3 3,-1.2 0.968 108.6 51.6 -62.7 -54.7 32.7 49.7 275.0 39 40 A S H 3X S+ 0 0 35 -4,-2.8 4,-1.5 1,-0.3 -1,-0.3 0.661 103.3 62.5 -61.0 -17.5 33.0 48.1 278.4 40 41 A V H 3<>S+ 0 0 0 -4,-1.6 5,-2.9 -3,-0.5 6,-0.3 0.869 106.0 43.8 -70.5 -39.5 31.2 51.2 279.7 41 42 A G H X<5S+ 0 0 25 -3,-1.2 3,-2.5 -4,-1.2 -2,-0.2 0.915 108.9 57.2 -71.0 -38.9 28.1 50.4 277.7 42 43 A E H 3<5S+ 0 0 151 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.913 107.7 47.4 -61.6 -41.3 28.3 46.8 278.7 43 44 A A T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.289 114.1-121.8 -72.2 9.2 28.2 47.8 282.3 44 45 A G T < 5 + 0 0 60 -3,-2.5 -3,-0.2 1,-0.1 4,-0.2 0.954 69.6 138.0 42.7 56.5 25.2 50.1 281.5 45 46 A E >X + 0 0 14 -5,-2.9 4,-2.5 1,-0.1 5,-0.5 0.322 22.2 104.3-117.1 10.7 27.3 52.9 282.9 46 47 A W H >5S+ 0 0 8 -6,-0.3 4,-3.9 1,-0.2 5,-0.4 0.971 87.9 43.4 -58.5 -50.6 26.9 55.8 280.5 47 48 A P H >5S+ 0 0 35 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.785 118.2 48.3 -71.2 -23.2 24.5 57.7 282.8 48 49 A L H >5S+ 0 0 20 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.986 118.6 35.7 -65.8 -69.7 26.9 56.9 285.7 49 50 A W H X5S+ 0 0 22 -4,-2.5 4,-1.4 1,-0.2 5,-0.2 0.915 119.9 50.9 -49.2 -52.5 30.2 57.9 284.1 50 51 A L H XXS+ 0 0 14 -4,-3.9 4,-2.7 -5,-0.5 5,-0.5 0.933 111.4 45.1 -61.2 -44.9 28.6 60.8 282.2 51 52 A D H X>S+ 0 0 8 -4,-1.2 4,-1.5 -5,-0.4 5,-0.6 0.911 109.6 58.4 -67.7 -37.4 26.9 62.4 285.2 52 53 A A H <5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.796 118.8 27.7 -57.7 -31.6 30.0 61.9 287.3 53 54 A F H <5S+ 0 0 14 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.837 136.3 17.6-104.8 -27.6 32.2 63.9 285.0 54 55 A F H X5S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.2 -3,-0.2 0.549 92.6 85.3-121.7 -11.6 29.8 66.4 283.3 55 56 A E H X S+ 0 0 14 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.948 113.7 46.4 -65.1 -47.2 28.8 71.5 284.2 58 59 A V H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.8 0.909 110.1 56.3 -61.0 -37.6 25.4 71.0 282.5 59 60 A D H 3< S+ 0 0 17 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.926 103.3 53.6 -55.5 -51.3 23.6 71.9 285.7 60 61 A S H 3< S+ 0 0 75 -4,-1.9 -1,-0.2 -5,-0.2 3,-0.2 0.632 110.1 45.8 -66.4 -18.9 25.4 75.3 286.0 61 62 A V H << S+ 0 0 37 -4,-0.8 2,-0.3 -3,-0.8 -1,-0.2 0.927 111.0 49.3 -80.4 -45.9 24.4 76.5 282.6 62 63 A S S < S+ 0 0 48 -4,-1.7 2,-0.2 220,-0.2 -2,-0.2 0.003 115.6 31.6 -97.4 26.3 20.7 75.6 282.6 63 64 A Y S S- 0 0 46 -2,-0.3 2,-0.2 -3,-0.2 -1,-0.0 -0.785 76.4-137.0-177.0 135.2 19.6 77.1 285.9 64 65 A G - 0 0 42 -2,-0.2 7,-0.1 1,-0.1 2,-0.1 -0.669 15.8-107.6-112.4 157.1 20.9 80.1 287.8 65 66 A K + 0 0 138 -2,-0.2 2,-0.3 -5,-0.1 4,-0.1 -0.376 60.1 113.0 -72.4 157.0 21.8 81.2 291.3 66 67 A G S S- 0 0 44 2,-0.4 4,-0.1 -2,-0.1 -1,-0.0 -0.974 80.4 -45.1 160.0-171.3 19.4 83.6 293.1 67 68 A N S S+ 0 0 106 -2,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.231 111.9 77.6 -84.2 16.7 17.0 83.9 296.0 68 69 A W S S- 0 0 55 1,-0.1 -2,-0.4 184,-0.0 185,-0.2 -0.755 102.1 -70.0-111.2 169.1 15.4 80.6 295.2 69 70 A T - 0 0 13 183,-2.0 2,-0.2 -2,-0.3 185,-0.1 -0.278 49.2-117.4 -66.4 136.8 17.0 77.2 296.0 70 71 A S - 0 0 10 -4,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.527 29.3-135.1 -72.2 134.7 20.1 76.2 294.1 71 72 A S - 0 0 8 -2,-0.2 2,-0.3 137,-0.1 137,-0.3 -0.272 17.7-162.2 -77.9 173.8 19.6 73.1 292.0 72 73 A A - 0 0 3 135,-2.1 135,-0.1 -2,-0.1 154,-0.1 -0.912 35.9 -67.1-153.0 169.6 22.1 70.3 291.8 73 74 A I - 0 0 5 -2,-0.3 -17,-0.1 152,-0.2 152,-0.0 -0.298 32.8-139.7 -72.5 147.5 22.6 67.4 289.4 74 75 A Q - 0 0 43 1,-0.1 3,-0.3 121,-0.1 -1,-0.1 0.809 33.7-153.5 -72.4 -30.5 20.0 64.7 289.1 75 76 A G > - 0 0 9 1,-0.2 3,-0.6 2,-0.1 -27,-0.1 -0.006 34.8 -72.5 64.6 174.6 22.4 61.8 288.8 76 77 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.459 114.2 73.1 -72.2 -8.2 21.7 58.5 287.1 77 78 A F T 3 + 0 0 23 -3,-0.3 2,-0.2 -30,-0.1 -2,-0.1 0.258 57.5 122.8-113.3 12.3 19.3 57.1 289.7 78 79 A F < - 0 0 27 -3,-0.6 2,-0.4 -4,-0.0 47,-0.0 -0.464 38.3-167.6 -68.8 143.5 16.1 59.0 289.4 79 80 A K > - 0 0 76 -2,-0.2 3,-0.7 0, 0.0 2,-0.1 -0.997 15.2-134.7-132.1 132.1 12.9 56.9 288.7 80 81 A E T 3 S+ 0 0 102 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.462 83.8 43.6 -76.0 153.4 9.5 58.2 287.7 81 82 A G T 3 + 0 0 38 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.390 65.0 162.4 94.4 -5.6 6.4 56.8 289.4 82 83 A A < - 0 0 5 -3,-0.7 -1,-0.2 66,-0.1 66,-0.2 -0.133 46.1 -98.0 -44.8 147.6 7.5 56.8 293.1 83 84 A P - 0 0 50 0, 0.0 66,-3.8 0, 0.0 2,-0.4 -0.368 26.7-107.9 -75.4 147.8 4.4 56.5 295.4 84 85 A L B -a 149 0A 100 64,-0.2 2,-0.6 -3,-0.1 66,-0.2 -0.621 36.4-145.9 -61.8 123.9 2.6 59.2 297.1 85 86 A L + 0 0 20 64,-2.6 2,-0.4 -2,-0.4 66,-0.4 -0.884 25.2 169.7 -96.9 120.7 3.5 58.8 300.8 86 87 A T + 0 0 112 -2,-0.6 2,-0.3 5,-0.1 5,-0.1 -0.995 21.7 141.7-129.7 127.8 0.7 59.7 303.2 87 88 A G S S- 0 0 51 -2,-0.4 3,-0.5 1,-0.2 -2,-0.0 -0.942 71.9 -95.2-159.5 169.0 1.2 58.7 306.8 88 89 A K S S- 0 0 90 1,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.986 137.0 -4.9 -51.2 -60.8 1.0 59.2 310.6 89 90 A P S S- 0 0 59 0, 0.0 -1,-0.5 0, 0.0 -3,-0.1 -0.984 101.9-113.6-112.4 127.9 4.5 60.5 309.6 90 91 A A - 0 0 12 -3,-0.5 71,-2.8 69,-0.4 2,-0.4 -0.386 39.4-166.9 -59.3 138.2 5.1 59.8 305.9 91 92 A T B -f 161 0B 63 69,-0.2 71,-0.2 -5,-0.1 -5,-0.1 -0.990 22.2-115.1-136.0 131.7 7.8 57.2 305.5 92 93 A L - 0 0 1 69,-1.7 56,-0.1 -2,-0.4 53,-0.1 -0.313 46.8 -94.9 -61.0 142.2 9.8 56.1 302.5 93 94 A P + 0 0 37 0, 0.0 53,-4.0 0, 0.0 2,-0.3 -0.358 60.1 169.5 -64.4 137.4 9.2 52.6 301.5 94 95 A M - 0 0 60 51,-0.2 3,-0.1 52,-0.1 2,-0.1 -0.977 36.0-103.9-154.3 146.5 11.9 50.6 303.1 95 96 A R > - 0 0 98 -2,-0.3 3,-1.1 1,-0.1 2,-0.0 -0.381 56.1 -80.7 -73.0 163.7 12.7 47.0 303.7 96 97 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.344 117.4 8.1 -62.9 135.0 12.2 45.5 307.2 97 98 A D T 3 S- 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.893 88.9-167.4 62.8 36.7 15.0 46.3 309.6 98 99 A E < - 0 0 17 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.0 -0.499 25.1-111.9 -64.8 116.1 16.4 48.6 306.9 99 100 A P + 0 0 71 0, 0.0 30,-0.6 0, 0.0 2,-0.2 -0.204 69.3 53.1 -60.8 139.5 19.9 49.5 308.1 100 101 A G S S- 0 0 32 63,-0.1 2,-0.2 28,-0.1 66,-0.0 -0.460 86.5 -50.1 125.0 165.4 20.9 53.0 309.3 101 102 A D - 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