==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-AUG-08 3ECJ . COMPND 2 MOLECULE: PROTEIN (HOMOPROTOCATECHUATE 2,3-DIOXYGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACTERIUM FUSCUM; . AUTHOR E.G.KOVALEVA,J.D.LIPSCOMB . 1437 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 933 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 341 23.7 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 . 20 1.4 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 . 1 0.1 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 . 85 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 0 6 2 0 4 0 4 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 15 5 2 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 . 6 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 3 A N 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.6 18.1 73.4 -9.6 2 4 A E - 0 0 142 1,-0.1 161,-0.1 164,-0.0 162,-0.1 -0.302 360.0-117.2 -56.0 142.8 18.3 69.8 -10.9 3 5 A I - 0 0 7 160,-0.3 -1,-0.1 1,-0.0 92,-0.0 -0.795 34.0-127.3 -88.2 117.5 21.8 68.5 -11.7 4 6 A P - 0 0 81 0, 0.0 -1,-0.0 0, 0.0 166,-0.0 -0.275 14.4-115.7 -67.5 149.9 22.0 67.7 -15.5 5 7 A K - 0 0 145 1,-0.0 162,-0.0 2,-0.0 166,-0.0 -0.794 37.9-127.1 -82.0 114.5 23.1 64.4 -16.8 6 8 A P - 0 0 12 0, 0.0 4,-0.1 0, 0.0 85,-0.1 -0.138 3.3-134.1 -57.8 155.7 26.4 65.1 -18.8 7 9 A V S S+ 0 0 134 2,-0.1 3,-0.1 84,-0.1 84,-0.1 0.832 87.3 89.0 -72.8 -38.7 26.8 63.9 -22.3 8 10 A A S S- 0 0 22 82,-0.2 2,-0.0 83,-0.1 79,-0.0 -0.329 93.6-103.4 -59.2 138.5 30.2 62.7 -21.3 9 11 A P - 0 0 82 0, 0.0 82,-0.2 0, 0.0 -1,-0.1 -0.348 36.1-109.5 -67.4 145.4 30.2 59.0 -20.0 10 12 A A - 0 0 32 160,-0.2 78,-0.1 -4,-0.1 77,-0.1 -0.453 36.5-102.5 -68.2 145.9 30.5 58.5 -16.2 11 13 A P - 0 0 2 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.422 37.8-109.3 -61.7 144.8 33.8 57.0 -14.9 12 14 A D - 0 0 46 69,-0.1 68,-2.6 -2,-0.1 2,-0.4 -0.727 39.3-157.0 -79.7 104.8 33.4 53.4 -14.0 13 15 A I E -A 79 0A 2 -2,-1.0 66,-0.3 158,-0.3 3,-0.1 -0.718 16.3-173.9 -89.8 129.1 33.6 53.5 -10.2 14 16 A L E - 0 0 7 64,-3.2 2,-0.3 -2,-0.4 65,-0.2 0.921 56.6 -54.0 -81.7 -49.6 34.6 50.3 -8.4 15 17 A R E -A 78 0A 10 63,-1.0 63,-2.3 178,-0.1 -1,-0.3 -0.965 63.3 -65.3-178.7 160.6 34.1 51.2 -4.7 16 18 A C E +A 77 0A 0 136,-0.3 61,-0.2 -2,-0.3 135,-0.1 -0.505 51.3 175.6 -60.1 140.3 34.9 53.7 -2.0 17 19 A A E - 0 0 0 59,-3.0 2,-0.3 1,-0.4 60,-0.2 0.702 47.5 -17.1-124.3 -47.4 38.6 53.3 -1.4 18 20 A Y E -A 76 0A 0 58,-1.3 58,-3.0 34,-0.0 -1,-0.4 -0.992 45.2-139.9-157.3 161.5 39.9 55.8 1.2 19 21 A A E -Ab 75 62A 0 42,-1.5 44,-2.6 -2,-0.3 2,-0.6 -0.979 11.2-147.7-120.1 142.2 39.2 59.0 3.1 20 22 A E E -Ab 74 63A 2 54,-2.8 53,-2.7 -2,-0.4 54,-1.5 -0.949 21.7-171.1-104.9 115.7 41.7 61.8 3.9 21 23 A L E -Ab 72 64A 0 42,-2.9 44,-2.9 -2,-0.6 2,-0.5 -0.914 18.8-137.1-108.2 131.3 40.8 63.4 7.2 22 24 A V E -Ab 71 65A 7 49,-3.2 49,-1.0 -2,-0.5 2,-0.3 -0.744 28.1-173.7 -82.8 129.2 42.4 66.5 8.5 23 25 A V E - b 0 66A 0 42,-2.5 44,-2.1 -2,-0.5 3,-0.2 -0.897 25.5-144.1-124.5 155.0 43.2 66.1 12.2 24 26 A T S S+ 0 0 72 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.771 91.8 33.1 -91.4 -33.2 44.5 68.7 14.8 25 27 A D > - 0 0 68 1,-0.1 4,-2.3 41,-0.0 -1,-0.3 -0.902 65.8-168.0-129.5 102.6 46.7 66.5 17.0 26 28 A L H > S+ 0 0 14 -2,-0.5 4,-2.6 1,-0.2 5,-0.1 0.859 86.3 51.7 -60.9 -40.9 48.4 63.7 15.0 27 29 A A H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 111.4 47.1 -64.0 -43.6 49.6 61.8 18.1 28 30 A K H > S+ 0 0 132 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.901 112.9 49.4 -63.6 -41.2 46.2 61.7 19.7 29 31 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.899 109.5 52.2 -66.6 -39.3 44.6 60.7 16.4 30 32 A R H X>S+ 0 0 72 -4,-2.6 4,-3.0 1,-0.2 5,-1.1 0.915 105.9 54.6 -59.8 -43.5 47.2 57.9 16.0 31 33 A N H <>S+ 0 0 85 -4,-2.2 5,-1.4 3,-0.2 -1,-0.2 0.809 113.5 43.2 -62.9 -30.8 46.4 56.7 19.6 32 34 A F H <>S+ 0 0 11 -4,-1.4 5,-2.3 3,-0.2 4,-0.3 0.953 122.1 34.4 -75.7 -56.3 42.7 56.4 18.5 33 35 A Y H <5S+ 0 0 0 -4,-2.9 6,-2.3 3,-0.2 -2,-0.2 0.819 132.8 25.9 -73.7 -32.4 43.1 54.8 15.0 34 36 A V T X5S+ 0 0 24 -4,-3.0 4,-1.2 -5,-0.3 -3,-0.2 0.902 130.0 32.6 -95.5 -57.5 46.1 52.6 15.8 35 37 A D T 4 - 0 0 0 -2,-0.3 3,-1.0 -14,-0.2 83,-0.3 -0.298 42.0 -93.0 -81.3 173.2 42.3 47.6 7.2 54 56 A F T 3 S+ 0 0 0 94,-2.6 82,-0.3 1,-0.2 85,-0.2 0.807 120.9 36.7 -57.6 -38.0 43.1 43.9 7.7 55 57 A E T 3 S+ 0 0 3 94,-2.1 -1,-0.2 81,-0.2 2,-0.2 0.387 89.1 119.1-104.1 5.3 42.1 42.6 4.2 56 58 A E < + 0 0 8 -3,-1.0 80,-0.6 1,-0.1 81,-0.1 -0.495 32.9 177.2 -80.0 137.6 43.2 45.6 2.1 57 59 A F + 0 0 0 -2,-0.2 76,-2.7 78,-0.2 -1,-0.1 0.600 59.9 87.0-108.5 -24.7 45.9 45.4 -0.7 58 60 A I S S- 0 0 0 74,-0.2 74,-0.2 1,-0.1 52,-0.1 -0.330 99.2 -94.8 -68.4 166.0 45.8 49.0 -2.0 59 61 A H S S- 0 0 18 50,-0.4 2,-0.3 72,-0.3 -1,-0.1 0.828 90.4 -16.2 -55.2 -41.3 48.0 51.4 -0.1 60 62 A H - 0 0 0 49,-0.1 -8,-0.3 1,-0.1 -1,-0.1 -0.988 31.5-157.0-162.0 155.0 45.6 52.8 2.4 61 63 A N S S+ 0 0 0 -10,-3.1 -42,-1.5 1,-0.3 2,-0.3 0.385 90.6 32.2-108.0 -13.0 41.9 53.2 3.4 62 64 A L E -bD 19 51A 0 -11,-1.9 -11,-3.3 -44,-0.2 2,-0.5 -0.975 58.4-167.4-150.6 132.8 42.5 56.3 5.6 63 65 A V E -bD 20 50A 0 -44,-2.6 -42,-2.9 -2,-0.3 2,-0.5 -0.995 10.5-158.5-119.1 122.4 45.0 59.2 5.5 64 66 A L E -bD 21 49A 0 -15,-2.9 -15,-2.0 -2,-0.5 2,-0.5 -0.920 13.5-170.3-101.4 123.1 45.2 61.3 8.6 65 67 A T E -bD 22 48A 17 -44,-2.9 -42,-2.5 -2,-0.5 -17,-0.2 -0.964 21.8-125.9-122.4 121.3 46.7 64.8 7.8 66 68 A K E +b 23 0A 109 -19,-2.9 -42,-0.2 -2,-0.5 -41,-0.0 -0.429 47.9 146.5 -65.0 138.4 47.7 67.3 10.4 67 69 A G - 0 0 18 -44,-2.1 3,-0.1 -2,-0.1 -41,-0.0 -0.973 58.7-103.8-165.5 168.0 46.0 70.6 9.8 68 70 A P S S+ 0 0 129 0, 0.0 2,-0.4 0, 0.0 -44,-0.1 0.784 105.7 39.0 -72.4 -30.1 44.6 73.7 11.6 69 71 A V S S- 0 0 58 -46,-0.1 2,-0.2 -3,-0.0 -47,-0.1 -0.976 84.1-126.3-129.3 118.5 40.9 72.8 11.2 70 72 A A + 0 0 20 -2,-0.4 238,-0.4 -3,-0.1 2,-0.3 -0.455 55.8 126.7 -66.9 129.1 39.6 69.2 11.5 71 73 A A E -A 22 0A 0 -49,-1.0 -49,-3.2 -2,-0.2 2,-0.6 -0.977 65.9 -79.8-169.4 164.2 37.6 68.4 8.3 72 74 A L E -Ae 21 309A 0 236,-3.0 238,-2.6 -2,-0.3 -51,-0.2 -0.739 37.5-178.7 -76.9 122.4 37.1 65.9 5.4 73 75 A K E - 0 0 79 -53,-2.7 2,-0.3 -2,-0.6 -52,-0.2 0.826 65.1 -10.9 -90.1 -37.8 39.8 66.7 2.8 74 76 A A E -A 20 0A 0 -54,-1.5 -54,-2.8 41,-0.0 2,-0.6 -0.935 46.3-150.5-162.3 141.4 38.8 64.1 0.2 75 77 A M E -Af 19 124A 0 48,-2.8 50,-2.2 -2,-0.3 2,-0.4 -0.982 32.7-153.5-108.6 117.6 36.5 61.1 -0.2 76 78 A A E -Af 18 125A 0 -58,-3.0 -59,-3.0 -2,-0.6 -58,-1.3 -0.793 15.2-169.4-105.7 135.1 38.2 58.8 -2.8 77 79 A F E -Af 16 126A 0 48,-3.0 50,-1.4 -2,-0.4 2,-0.4 -0.937 21.2-131.9-114.7 135.7 36.7 56.3 -5.1 78 80 A R E -Af 15 127A 1 -63,-2.3 -64,-3.2 -2,-0.4 -63,-1.0 -0.747 22.3-150.3 -87.0 135.5 38.7 53.8 -7.1 79 81 A V E -A 13 0A 0 48,-2.4 -66,-0.2 -2,-0.4 6,-0.1 -0.666 21.1-113.2-104.0 161.9 37.8 53.6 -10.8 80 82 A R S S+ 0 0 84 -68,-2.6 -67,-0.1 -2,-0.2 -1,-0.1 0.822 89.9 10.8 -66.4 -37.3 38.2 50.5 -13.1 81 83 A T S > S- 0 0 42 -69,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.909 76.5-106.2-138.8 162.3 40.9 51.7 -15.5 82 84 A P T >> S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.864 118.7 61.3 -59.6 -31.1 43.4 54.6 -15.8 83 85 A E H 3> S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.643 88.8 70.5 -67.8 -16.2 41.2 56.0 -18.6 84 86 A D H <> S+ 0 0 8 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.737 90.1 61.1 -73.4 -20.5 38.3 56.4 -16.1 85 87 A V H <> S+ 0 0 1 -3,-1.2 4,-2.1 -4,-0.5 -1,-0.2 0.913 105.6 46.7 -67.5 -40.9 40.3 59.2 -14.5 86 88 A D H X S+ 0 0 86 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.910 111.6 51.3 -62.6 -44.3 40.1 61.0 -17.9 87 89 A K H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.894 108.2 52.4 -59.3 -42.7 36.4 60.2 -18.0 88 90 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.911 109.9 48.0 -59.8 -45.0 36.0 61.7 -14.5 89 91 A E H X S+ 0 0 46 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.954 113.8 46.1 -60.4 -49.6 37.7 64.9 -15.5 90 92 A A H X S+ 0 0 41 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.872 113.0 52.3 -60.3 -38.2 35.6 65.3 -18.6 91 93 A Y H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.958 113.5 39.9 -65.2 -54.0 32.4 64.5 -16.6 92 94 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.2 0.785 112.1 57.9 -69.1 -29.9 32.9 67.0 -13.9 93 95 A Q H ><5S+ 0 0 112 -4,-2.3 3,-2.0 -5,-0.3 -1,-0.2 0.956 106.6 48.4 -59.3 -50.8 34.2 69.6 -16.4 94 96 A E H 3<5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.807 107.2 56.7 -61.0 -32.2 30.9 69.3 -18.2 95 97 A L T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.528 116.4-118.4 -72.8 -7.6 29.1 69.7 -14.9 96 98 A G T < 5 + 0 0 70 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.669 63.6 149.1 76.6 17.7 31.0 73.0 -14.4 97 99 A C < - 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