==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-00 1F1X . COMPND 2 MOLECULE: HOMOPROTOCATECHUATE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR M.W.VETTING,J.D.LIPSCOMB,L.P.WACKETT,L.QUE JR.,D.H.OHLENDORF . 1276 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 859 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 80 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 1 3 0 0 4 0 3 1 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 . 12 0 0 20 4 8 4 4 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 . 0 0 0 0 0 0 0 4 4 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 4 A E 0 0 187 0, 0.0 161,-0.1 0, 0.0 162,-0.1 0.000 360.0 360.0 360.0 136.3 142.5 -23.2 -38.8 2 5 A I - 0 0 8 160,-0.3 92,-0.0 1,-0.0 0, 0.0 -0.762 360.0-127.2 -86.1 120.3 140.5 -20.5 -40.6 3 6 A P - 0 0 92 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.265 15.8-112.2 -67.8 153.2 142.9 -18.4 -42.7 4 7 A K - 0 0 145 1,-0.1 162,-0.0 2,-0.0 161,-0.0 -0.777 41.2-124.2 -82.6 119.3 143.3 -14.7 -42.5 5 8 A P - 0 0 13 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.178 2.6-136.7 -60.3 158.5 142.0 -13.3 -45.8 6 9 A V S S+ 0 0 137 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.823 87.2 86.6 -79.4 -37.0 144.0 -11.0 -48.0 7 10 A A S S- 0 0 21 82,-0.2 2,-0.1 83,-0.1 79,-0.0 -0.383 95.1-102.2 -61.3 142.4 140.9 -8.9 -48.6 8 11 A P - 0 0 83 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.365 34.9-109.6 -69.1 144.2 140.5 -6.3 -45.8 9 12 A A - 0 0 31 160,-0.2 78,-0.1 -4,-0.1 2,-0.1 -0.383 35.0-106.3 -69.8 147.7 138.0 -6.9 -43.0 10 13 A P - 0 0 2 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.439 37.6-108.8 -69.2 147.9 134.9 -4.7 -43.0 11 14 A D - 0 0 46 69,-0.1 68,-2.5 -2,-0.1 2,-0.4 -0.750 38.7-156.7 -82.6 103.8 135.1 -2.0 -40.2 12 15 A I E -A 78 0A 3 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.686 15.6-173.3 -88.3 128.1 132.5 -3.3 -37.7 13 16 A L E - 0 0 6 64,-2.9 2,-0.3 -2,-0.4 65,-0.2 0.916 56.5 -51.3 -83.6 -46.6 131.0 -0.7 -35.3 14 17 A R E -A 77 0A 9 63,-1.1 63,-2.1 178,-0.1 -1,-0.3 -0.971 62.2 -69.3-179.0 163.5 128.9 -2.9 -32.9 15 18 A C E +A 76 0A 1 136,-0.4 61,-0.3 -2,-0.3 135,-0.1 -0.549 51.2 177.1 -68.0 143.2 126.3 -5.6 -32.6 16 19 A A E - 0 0 0 59,-3.1 2,-0.3 1,-0.4 60,-0.2 0.705 46.2 -18.7-124.9 -40.8 123.0 -3.9 -33.8 17 20 A Y E -A 75 0A 0 58,-1.5 58,-2.8 34,-0.0 -1,-0.4 -0.987 45.5-137.5-162.9 163.8 120.1 -6.2 -33.8 18 21 A A E -Ab 74 61A 0 42,-1.6 44,-2.5 -2,-0.3 2,-0.6 -0.975 10.9-148.9-123.5 140.3 119.0 -9.9 -33.8 19 22 A E E -Ab 73 62A 4 54,-2.7 53,-2.6 -2,-0.4 54,-1.6 -0.971 22.2-171.4-106.0 117.2 116.1 -11.4 -35.9 20 23 A L E -Ab 71 63A 2 42,-2.9 44,-2.7 -2,-0.6 2,-0.4 -0.942 19.9-134.8-110.0 133.8 114.6 -14.2 -34.0 21 24 A V E -Ab 70 64A 6 49,-3.3 49,-1.0 -2,-0.5 2,-0.3 -0.688 28.7-173.2 -85.0 132.9 112.0 -16.6 -35.4 22 25 A V E - b 0 65A 0 42,-2.5 44,-2.0 -2,-0.4 3,-0.2 -0.910 24.3-142.2-123.4 155.0 109.1 -17.1 -33.0 23 26 A T S S+ 0 0 67 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.805 91.2 30.2 -91.1 -30.9 106.2 -19.6 -33.2 24 27 A D > - 0 0 58 1,-0.1 4,-2.2 41,-0.0 -1,-0.3 -0.938 67.6-165.5-131.3 104.0 103.3 -17.5 -31.8 25 28 A L H > S+ 0 0 17 -2,-0.5 4,-2.6 1,-0.2 5,-0.1 0.850 85.7 52.1 -63.4 -39.8 103.8 -13.8 -32.5 26 29 A A H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 110.4 47.6 -66.7 -36.3 101.1 -12.6 -30.1 27 30 A K H > S+ 0 0 139 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.884 113.3 49.7 -70.9 -35.3 102.5 -14.6 -27.1 28 31 A S H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.904 109.2 52.1 -67.5 -41.4 106.1 -13.3 -28.0 29 32 A R H X>S+ 0 0 71 -4,-2.6 4,-2.7 1,-0.2 5,-1.2 0.916 105.1 55.8 -61.9 -37.3 104.7 -9.7 -28.2 30 33 A N H <>S+ 0 0 84 -4,-2.0 5,-1.9 3,-0.2 -1,-0.2 0.923 112.4 43.1 -59.9 -41.4 103.2 -10.1 -24.7 31 34 A F H <>S+ 0 0 10 -4,-1.6 5,-2.8 3,-0.2 4,-0.4 0.970 121.0 36.4 -69.5 -53.8 106.7 -11.0 -23.4 32 35 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.5 3,-0.2 -2,-0.2 0.813 131.9 24.4 -73.0 -32.0 108.8 -8.4 -25.2 33 36 A V T X5S+ 0 0 25 -4,-2.7 4,-1.3 -5,-0.3 -3,-0.2 0.874 129.5 34.8-100.0 -54.5 106.4 -5.5 -25.1 34 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.1 -14,-0.2 83,-0.4 -0.301 41.5 -92.8 -77.6 173.3 115.5 -0.1 -26.7 53 56 A F T 3 S+ 0 0 0 94,-2.4 82,-0.4 1,-0.2 85,-0.2 0.813 121.0 35.6 -57.8 -36.0 115.1 3.2 -24.9 54 57 A E T 3 S+ 0 0 3 94,-2.1 -1,-0.2 81,-0.2 2,-0.1 0.406 89.4 118.4-103.8 4.7 118.3 4.9 -26.2 55 58 A E < + 0 0 7 -3,-1.1 80,-0.6 93,-0.1 81,-0.1 -0.460 34.3 179.1 -77.1 143.9 118.4 3.5 -29.7 56 59 A F + 0 0 0 78,-0.2 76,-2.8 -2,-0.1 -1,-0.1 0.563 59.4 85.8-112.0 -22.1 118.2 5.6 -32.9 57 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.343 99.4 -93.0 -71.7 172.0 118.4 3.0 -35.6 58 61 A H S S- 0 0 21 50,-0.4 2,-0.3 72,-0.3 -1,-0.1 0.839 91.7 -17.0 -60.7 -36.1 115.2 1.3 -36.6 59 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.990 31.7-155.8-161.6 162.9 115.3 -1.7 -34.3 60 63 A N S S+ 0 0 0 -10,-3.0 -42,-1.6 1,-0.3 2,-0.3 0.411 91.3 31.3-114.8 -17.7 117.4 -3.9 -32.0 61 64 A L E -bD 18 50A 0 -11,-2.1 -11,-3.3 -44,-0.2 2,-0.5 -0.977 59.4-167.0-148.7 130.3 115.2 -7.0 -32.3 62 65 A V E -bD 19 49A 0 -44,-2.5 -42,-2.9 -2,-0.3 2,-0.6 -0.981 10.2-158.1-114.1 124.1 113.0 -8.3 -35.1 63 66 A L E -bD 20 48A 0 -15,-2.9 -15,-2.1 -2,-0.5 2,-0.5 -0.947 14.2-171.0-103.4 119.4 110.5 -11.1 -34.1 64 67 A T E -bD 21 47A 17 -44,-2.7 -42,-2.5 -2,-0.6 -17,-0.2 -0.965 22.4-125.7-115.8 125.9 109.5 -13.1 -37.2 65 68 A K E +b 22 0A 126 -19,-2.7 -42,-0.2 -2,-0.5 -44,-0.1 -0.523 50.2 140.7 -70.8 137.0 106.7 -15.7 -37.2 66 69 A G - 0 0 19 -44,-2.0 3,-0.1 -2,-0.2 -41,-0.0 -0.970 59.3 -93.2-163.5 174.5 108.0 -19.0 -38.5 67 70 A P S S+ 0 0 125 0, 0.0 2,-0.4 0, 0.0 -44,-0.1 0.830 104.3 33.3 -70.5 -36.4 107.8 -22.7 -38.0 68 71 A V S S- 0 0 56 -46,-0.1 2,-0.2 2,-0.0 -47,-0.1 -0.993 84.6-120.5-127.7 125.7 110.8 -23.5 -35.8 69 72 A A + 0 0 19 -2,-0.4 238,-0.4 -3,-0.1 2,-0.3 -0.404 58.5 125.4 -65.5 129.5 112.0 -21.0 -33.2 70 73 A A E -A 21 0A 0 -49,-1.0 -49,-3.3 -2,-0.2 2,-0.6 -0.986 66.4 -80.0-171.3 167.6 115.6 -20.1 -33.9 71 74 A L E -Ae 20 308A 0 236,-3.0 238,-2.5 -2,-0.3 -51,-0.2 -0.724 37.0-178.5 -82.1 123.3 118.0 -17.3 -34.5 72 75 A K E - 0 0 76 -53,-2.6 2,-0.3 -2,-0.6 -52,-0.2 0.806 66.2 -7.1 -92.5 -30.7 117.6 -16.1 -38.1 73 76 A A E -A 19 0A 0 -54,-1.6 -54,-2.7 2,-0.0 2,-0.6 -0.927 46.5-153.8-167.2 137.8 120.4 -13.5 -38.1 74 77 A M E -Af 18 123A 0 48,-2.6 50,-2.1 -2,-0.3 2,-0.4 -0.981 34.2-153.9-110.9 118.6 122.8 -11.7 -35.7 75 78 A A E -Af 17 124A 0 -58,-2.8 -59,-3.1 -2,-0.6 -58,-1.5 -0.831 17.0-168.9-108.2 135.8 123.5 -8.3 -37.3 76 79 A F E -Af 15 125A 0 48,-2.8 50,-1.6 -2,-0.4 2,-0.3 -0.948 20.1-134.2-115.4 135.0 126.5 -6.0 -37.0 77 80 A R E -Af 14 126A 0 -63,-2.1 -64,-2.9 -2,-0.4 -63,-1.1 -0.723 21.6-151.3 -88.8 141.7 126.4 -2.5 -38.2 78 81 A V E -A 12 0A 0 48,-2.2 -66,-0.2 -2,-0.3 6,-0.1 -0.701 22.3-111.0-109.1 164.6 129.6 -1.5 -40.2 79 82 A R S S+ 0 0 76 -68,-2.5 -67,-0.1 -2,-0.3 48,-0.0 0.781 88.7 11.9 -68.9 -32.4 131.0 2.0 -40.5 80 83 A T S > S- 0 0 46 -69,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.921 74.9-107.5-144.3 159.8 130.4 2.9 -44.2 81 84 A P T >> S+ 0 0 47 0, 0.0 3,-1.7 0, 0.0 4,-0.8 0.902 118.7 61.5 -56.6 -35.9 128.3 1.6 -47.1 82 85 A E H 3> S+ 0 0 115 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.765 90.4 69.9 -62.4 -26.1 131.6 0.4 -48.7 83 86 A D H <> S+ 0 0 5 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.726 90.1 59.8 -67.5 -20.5 132.1 -1.9 -45.7 84 87 A V H <> S+ 0 0 1 -3,-1.7 4,-1.9 -4,-0.5 -1,-0.2 0.902 105.9 47.7 -73.0 -37.7 129.3 -4.1 -46.9 85 88 A D H X S+ 0 0 86 -4,-0.8 4,-2.5 1,-0.2 5,-0.2 0.901 111.8 51.6 -64.3 -43.1 131.2 -4.7 -50.1 86 89 A K H X S+ 0 0 73 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.911 108.0 50.5 -59.4 -42.3 134.3 -5.4 -48.0 87 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.901 109.8 52.0 -60.7 -39.4 132.3 -7.9 -45.9 88 91 A E H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.946 112.0 43.9 -64.4 -44.7 131.2 -9.6 -49.1 89 92 A A H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.904 113.4 54.2 -66.5 -41.5 134.7 -9.9 -50.5 90 93 A Y H X S+ 0 0 4 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.947 112.5 39.6 -57.7 -53.0 136.0 -11.1 -47.1 91 94 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 -1,-0.2 0.800 112.0 56.7 -73.5 -28.7 133.5 -13.9 -46.7 92 95 A Q H ><5S+ 0 0 104 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.913 106.3 51.9 -65.4 -38.0 133.7 -15.0 -50.3 93 96 A E H 3<5S+ 0 0 95 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.881 106.1 53.6 -65.1 -35.0 137.5 -15.4 -49.8 94 97 A L T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.488 118.9-116.7 -73.8 -3.5 136.7 -17.6 -46.7 95 98 A G T < 5 + 0 0 69 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.751 63.5 149.7 75.1 25.8 134.5 -19.7 -49.0 96 99 A C < - 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