==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUN-05 2BUX . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR M.W.VETTING,M.P.VALLEY,D.A.D'ARGENIO,L.N.ORNSTON, . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.5 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+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 4 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 RESIDUES PER ALPHA HELIX . 2 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 0 7 1 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 . 5 2 1 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 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 0 178 0, 0.0 2,-0.2 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 140.4 -8.3 -25.2 19.3 2 5 A L - 0 0 57 286,-2.2 2,-0.3 285,-0.1 288,-0.0 -0.631 360.0-120.8 -99.6 157.5 -6.5 -23.4 22.0 3 6 A K - 0 0 79 -2,-0.2 424,-0.1 1,-0.1 -1,-0.0 -0.739 38.8 -99.8 -93.3 144.6 -2.8 -23.4 23.0 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.313 46.6 -97.3 -56.6 138.9 -1.9 -24.5 26.5 5 8 A T - 0 0 5 422,-2.5 -1,-0.1 1,-0.1 424,-0.1 -0.447 51.8-105.8 -55.2 131.5 -1.2 -21.5 28.8 6 9 A P - 0 0 0 0, 0.0 211,-0.1 0, 0.0 -1,-0.1 -0.361 32.3-117.9 -66.0 138.2 2.7 -21.2 28.8 7 10 A S - 0 0 3 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.339 28.9-172.3 -70.3 155.3 4.6 -22.3 31.9 8 11 A Q - 0 0 2 368,-1.5 132,-0.2 209,-0.1 368,-0.1 -0.965 36.3 -85.2-142.5 153.1 6.7 -19.9 34.0 9 12 A T - 0 0 0 -2,-0.3 129,-0.2 1,-0.1 126,-0.2 -0.169 30.0-125.5 -53.9 153.2 9.0 -20.6 36.9 10 13 A G - 0 0 2 124,-0.6 3,-0.4 127,-0.5 125,-0.2 0.775 52.3-146.3 -72.6 -23.1 7.5 -20.9 40.4 11 14 A G > - 0 0 2 123,-0.4 3,-1.7 126,-0.2 124,-0.4 -0.022 33.9 -48.2 83.3 174.2 10.0 -18.3 41.3 12 15 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.613 134.6 42.7 -59.2 -18.6 11.9 -17.8 44.6 13 16 A Y T >> S+ 0 0 33 -3,-0.4 4,-3.2 1,-0.1 3,-1.7 0.159 73.3 112.7-116.3 20.2 8.9 -18.1 46.9 14 17 A V H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.3 5,-0.1 0.858 80.4 52.3 -58.7 -36.0 7.0 -21.0 45.3 15 18 A H H 34 S+ 0 0 12 47,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.526 115.0 42.0 -80.0 -4.7 7.8 -23.1 48.5 16 19 A I H X4 S+ 0 0 8 -3,-1.7 3,-0.5 2,-0.1 7,-0.2 0.736 113.8 49.3-102.7 -45.9 6.3 -20.4 50.7 17 20 A G H 3< S+ 0 0 8 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.818 117.4 40.9 -63.2 -30.8 3.3 -19.5 48.6 18 21 A L T 3< S+ 0 0 3 -4,-1.8 -1,-0.2 -5,-0.2 14,-0.1 0.499 125.4 35.5 -96.8 -4.4 2.2 -23.2 48.2 19 22 A L S <> S+ 0 0 5 -3,-0.5 4,-0.7 -5,-0.1 3,-0.4 -0.488 70.2 156.6-140.5 60.5 3.0 -24.2 51.9 20 23 A P T >4> + 0 0 6 0, 0.0 5,-2.5 0, 0.0 3,-1.9 0.904 66.9 63.9 -57.0 -43.9 2.0 -21.0 53.8 21 24 A K G >45S+ 0 0 81 1,-0.3 3,-1.7 3,-0.2 5,-0.1 0.904 103.6 49.9 -47.5 -49.0 1.4 -22.7 57.1 22 25 A Q G 345S+ 0 0 110 -3,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.680 107.3 51.4 -68.5 -16.0 5.1 -23.7 57.1 23 26 A A G <<5S- 0 0 15 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 0.111 123.0-106.7-102.0 19.0 6.3 -20.2 56.4 24 27 A N T < 5S+ 0 0 133 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.823 78.3 135.2 62.3 32.9 4.1 -19.0 59.3 25 28 A I < - 0 0 5 -5,-2.5 2,-1.9 -6,-0.1 3,-0.4 -0.898 38.5-165.3-108.5 97.2 1.4 -17.4 57.2 26 29 A E + 0 0 130 -2,-0.8 -5,-0.0 1,-0.2 299,-0.0 -0.401 42.1 127.7 -87.0 67.2 -1.7 -18.8 58.9 27 30 A V + 0 0 17 -2,-1.9 2,-0.3 298,-0.0 -1,-0.2 0.749 60.4 56.7 -88.5 -25.4 -4.3 -18.0 56.3 28 31 A F - 0 0 17 -3,-0.4 3,-0.1 1,-0.2 229,-0.1 -0.854 58.4-154.4-113.4 145.8 -5.9 -21.4 56.0 29 32 A E S S+ 0 0 163 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.937 92.8 44.8 -78.3 -47.3 -7.6 -23.7 58.6 30 33 A H S S- 0 0 92 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.846 79.6-169.1-102.5 120.3 -6.9 -26.9 56.5 31 34 A N - 0 0 46 -2,-0.6 2,-0.3 -3,-0.1 -12,-0.1 -0.877 19.1-128.4-114.4 141.8 -3.4 -27.1 55.1 32 35 A L + 0 0 37 -2,-0.4 2,-0.2 -14,-0.1 -11,-0.1 -0.617 40.7 158.3 -82.7 140.8 -1.8 -29.4 52.5 33 36 A D - 0 0 71 -2,-0.3 63,-1.5 2,-0.2 64,-0.1 -0.750 51.5 -81.0-146.9-164.6 1.4 -31.1 53.5 34 37 A N S S+ 0 0 31 61,-0.3 75,-2.2 -2,-0.2 2,-0.7 0.126 88.6 98.6 -95.1 18.2 3.9 -34.0 53.0 35 38 A N B +a 109 0A 71 73,-0.2 -2,-0.2 1,-0.1 75,-0.2 -0.891 36.2 168.8-112.6 107.6 2.1 -36.7 55.0 36 39 A L + 0 0 5 73,-2.8 2,-0.6 -2,-0.7 56,-0.4 0.512 50.7 96.4 -92.6 -5.7 0.0 -39.1 53.0 37 40 A V - 0 0 27 72,-0.6 2,-0.3 54,-0.1 54,-0.1 -0.771 49.2-176.3 -90.9 116.7 -0.6 -41.6 55.8 38 41 A Q > - 0 0 89 52,-0.6 3,-1.7 -2,-0.6 52,-0.1 -0.658 45.5 -96.2 -98.0 164.9 -3.9 -41.2 57.6 39 42 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.0 -2,-0.3 51,-0.0 0.846 122.4 39.0 -53.5 -40.1 -4.5 -43.6 60.6 40 43 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 50,-0.0 50,-0.2 0.298 85.2 130.5 -95.7 12.6 -6.5 -46.2 58.7 41 44 A T < - 0 0 5 -3,-1.7 2,-0.2 49,-0.1 50,-0.1 -0.384 53.3-130.3 -65.7 139.5 -4.5 -46.1 55.6 42 45 A Q + 0 0 90 -2,-0.1 30,-0.3 2,-0.1 2,-0.1 -0.594 56.9 44.5 -93.3 155.4 -3.4 -49.4 54.3 43 46 A G S S- 0 0 28 -2,-0.2 2,-0.5 68,-0.1 30,-0.0 -0.387 91.2 -43.1 110.1 174.4 0.1 -50.7 53.3 44 47 A Q - 0 0 83 68,-0.3 68,-2.2 -2,-0.1 2,-0.1 -0.700 57.0-126.1 -86.9 128.0 3.6 -50.5 54.5 45 48 A R E +B 111 0A 107 -2,-0.5 138,-0.4 66,-0.2 2,-0.3 -0.402 35.1 173.3 -69.2 135.2 4.7 -47.2 55.8 46 49 A I E -B 110 0A 7 64,-2.7 64,-2.7 -2,-0.1 2,-0.5 -0.972 27.8-134.4-141.4 158.1 7.8 -45.7 54.2 47 50 A R E -Bc 109 184A 70 136,-2.4 138,-2.8 -2,-0.3 2,-0.5 -0.962 16.2-160.8-113.2 132.8 9.7 -42.5 54.4 48 51 A L E +Bc 108 185A 0 60,-2.5 60,-2.1 -2,-0.5 2,-0.3 -0.955 25.2 157.0-111.7 125.1 10.9 -41.0 51.1 49 52 A E E +Bc 107 186A 28 136,-2.4 138,-2.9 -2,-0.5 2,-0.3 -0.989 3.3 121.8-148.6 160.4 13.7 -38.4 51.4 50 53 A G E -B 106 0A 0 56,-1.8 56,-2.5 -2,-0.3 2,-0.3 -0.981 44.3 -94.5 174.1-168.9 16.5 -36.8 49.5 51 54 A Q - 0 0 29 -2,-0.3 138,-2.9 54,-0.2 2,-0.5 -0.914 22.4-133.7-132.0 159.6 18.1 -33.6 48.3 52 55 A V E -e 189 0B 1 52,-0.5 8,-2.8 8,-0.4 2,-0.4 -0.978 26.2-159.1-115.1 129.4 17.9 -31.7 45.0 53 56 A F E -eF 190 59B 28 136,-2.9 138,-2.2 -2,-0.5 139,-0.4 -0.870 7.3-141.7-112.4 140.9 21.2 -30.5 43.5 54 57 A D > - 0 0 16 4,-2.5 3,-1.9 -2,-0.4 138,-0.2 -0.187 48.0 -78.3 -85.2-172.6 22.0 -27.9 41.0 55 58 A G T 3 S+ 0 0 25 175,-2.1 139,-0.2 1,-0.3 176,-0.1 0.553 131.0 47.4 -64.0 -14.1 24.8 -28.1 38.3 56 59 A L T 3 S- 0 0 140 174,-0.2 -1,-0.3 2,-0.1 137,-0.1 0.272 122.6-100.2-107.3 3.8 27.6 -27.4 40.7 57 60 A G S < S+ 0 0 46 -3,-1.9 -2,-0.1 1,-0.3 136,-0.0 0.651 75.0 142.1 90.7 10.3 26.4 -29.8 43.4 58 61 A L - 0 0 97 1,-0.0 -4,-2.5 0, 0.0 -1,-0.3 -0.746 52.8-122.7 -88.7 129.2 24.7 -27.3 45.6 59 62 A P B -F 53 0B 21 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.420 25.7-122.5 -68.9 146.9 21.5 -28.5 47.2 60 63 A L - 0 0 1 -8,-2.8 -8,-0.4 44,-0.2 3,-0.2 -0.772 25.8-176.6 -89.4 134.4 18.5 -26.2 46.4 61 64 A R S S+ 0 0 91 -2,-0.4 38,-0.2 1,-0.1 -1,-0.1 0.353 78.9 58.8-110.9 3.5 16.7 -24.8 49.4 62 65 A D S S+ 0 0 28 73,-0.1 73,-0.4 36,-0.1 -47,-0.3 -0.009 77.9 125.2-115.9 25.9 14.0 -23.1 47.5 63 66 A V - 0 0 0 -3,-0.2 36,-0.7 71,-0.1 2,-0.4 -0.573 45.6-154.6 -88.2 150.2 12.5 -26.1 45.8 64 67 A L E -GH 98 133C 0 69,-2.6 69,-2.4 -2,-0.2 2,-0.4 -0.990 16.6-171.6-120.4 131.2 8.9 -27.2 45.9 65 68 A I E -GH 97 132C 0 32,-3.2 32,-2.9 -2,-0.4 2,-0.3 -0.971 8.6-177.3-126.2 139.4 8.2 -31.0 45.4 66 69 A E E -GH 96 131C 0 65,-2.2 65,-2.4 -2,-0.4 2,-0.3 -0.956 7.8-159.7-128.6 152.8 4.9 -32.9 44.9 67 70 A I E -GH 95 130C 0 28,-1.7 28,-1.4 -2,-0.3 2,-0.4 -0.938 3.2-165.8-129.6 155.5 4.4 -36.7 44.5 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.8 -2,-0.3 2,-0.3 -0.996 23.8 154.7-139.5 128.9 1.4 -38.6 43.0 69 72 A Q - 0 0 0 24,-2.0 59,-0.1 -2,-0.4 2,-0.1 -0.972 38.8-102.5-154.5 169.4 1.0 -42.3 43.6 70 73 A A - 0 0 0 57,-0.5 6,-0.2 -2,-0.3 23,-0.1 -0.292 41.5-104.9 -89.5 169.0 -1.3 -45.3 43.8 71 74 A D > - 0 0 1 4,-2.5 43,-2.4 42,-0.1 3,-2.2 -0.141 52.3 -72.6 -82.8-168.7 -2.5 -47.0 47.0 72 75 A T T 3 S+ 0 0 40 -30,-0.3 43,-0.2 1,-0.3 -29,-0.1 0.754 133.6 46.5 -61.2 -24.0 -1.3 -50.3 48.3 73 76 A N T 3 S- 0 0 91 41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.306 121.2-102.2-100.9 10.6 -3.1 -52.3 45.7 74 77 A G S < S+ 0 0 0 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.809 78.8 132.8 78.2 25.6 -2.0 -50.1 42.8 75 78 A V - 0 0 3 41,-0.1 -4,-2.5 11,-0.1 -1,-0.3 -0.940 51.8-131.9-111.1 136.8 -5.3 -48.2 42.4 76 79 A Y - 0 0 3 -2,-0.4 2,-2.4 -6,-0.2 5,-0.2 -0.673 14.3-128.7 -86.9 138.1 -5.3 -44.4 42.1 77 80 A P S S+ 0 0 20 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.461 76.2 109.2 -82.2 68.4 -7.7 -42.4 44.3 78 81 A S S > S- 0 0 14 -2,-2.4 3,-2.2 172,-0.1 -2,-0.1 -0.997 77.1-129.6-145.0 140.1 -8.9 -40.6 41.1 79 82 A Q T 3 S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.3 169,-0.1 0.692 109.1 65.0 -61.7 -17.2 -12.1 -40.7 39.1 80 83 A A T 3 S+ 0 0 20 169,-0.3 2,-0.6 289,-0.2 -1,-0.3 0.489 73.4 107.4 -84.2 -3.4 -10.0 -41.3 36.1 81 84 A D < - 0 0 24 -3,-2.2 3,-0.3 -5,-0.2 -6,-0.0 -0.666 48.1-175.5 -76.4 122.0 -8.8 -44.7 37.4 82 85 A T + 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.146 50.1 106.7-105.3 18.7 -10.6 -47.2 35.2 83 86 A Q S S- 0 0 42 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.710 75.9-136.4 -74.5 -16.8 -9.5 -50.5 36.9 84 87 A G + 0 0 81 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.678 64.4 124.6 73.5 8.5 -12.8 -51.0 38.4 85 88 A K - 0 0 125 -12,-0.0 2,-0.3 1,-0.0 -1,-0.3 -0.751 69.6-107.3 -98.7 150.5 -11.1 -52.0 41.7 86 88AA Q - 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