==== 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 22-MAR-00 1EO9 . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP.; . AUTHOR M.W.VETTING,D.A.D'ARGENIO,L.N.ORNSTON,D.H.OHLENDORF . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 58.0 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 . 43 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 4.3 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 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 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 . 5 1 2 1 4 3 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 . 2 2 0 3 0 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 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 0 164 0, 0.0 2,-0.2 0, 0.0 288,-0.1 0.000 360.0 360.0 360.0 106.1 -7.6 -25.5 18.7 2 5 A L - 0 0 72 286,-1.6 2,-0.3 285,-0.1 288,-0.0 -0.564 360.0-123.6 -87.2 151.6 -6.4 -23.6 21.8 3 6 A K - 0 0 76 -2,-0.2 424,-0.1 1,-0.1 -1,-0.0 -0.706 30.7-100.2 -95.5 147.2 -2.8 -23.6 23.0 4 7 A E - 0 0 9 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.324 46.3 -97.6 -62.0 141.8 -1.8 -24.6 26.5 5 8 A T - 0 0 5 422,-3.1 -1,-0.1 1,-0.1 2,-0.1 -0.443 51.1-106.7 -60.2 131.8 -1.1 -21.7 28.9 6 9 A P - 0 0 0 0, 0.0 372,-0.3 0, 0.0 211,-0.1 -0.355 31.7-118.3 -66.4 141.0 2.7 -21.3 28.9 7 10 A S - 0 0 4 370,-0.1 2,-0.3 209,-0.1 370,-0.2 -0.378 28.5-174.0 -77.4 154.4 4.7 -22.3 31.9 8 11 A Q - 0 0 2 368,-1.6 132,-0.2 -2,-0.1 368,-0.1 -0.957 36.9 -83.5-142.3 157.1 6.8 -20.0 34.1 9 12 A T - 0 0 1 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.229 28.9-130.3 -60.4 150.7 9.2 -20.6 37.0 10 13 A G - 0 0 2 127,-0.6 125,-0.2 124,-0.5 3,-0.2 0.697 48.9-142.4 -74.7 -18.4 7.6 -21.0 40.4 11 14 A G > - 0 0 5 123,-0.4 3,-1.1 126,-0.2 124,-0.3 0.064 27.9 -66.1 78.3 168.5 10.2 -18.5 41.6 12 15 A P T 3 S+ 0 0 46 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.721 130.3 51.6 -64.5 -25.7 12.2 -18.4 44.9 13 16 A Y T > + 0 0 37 -3,-0.2 3,-2.2 1,-0.2 4,-0.5 0.035 63.9 131.4-103.6 27.9 9.1 -17.7 47.1 14 17 A V T <> + 0 0 0 -3,-1.1 4,-1.2 1,-0.3 -1,-0.2 0.591 63.4 71.6 -55.2 -8.2 7.0 -20.6 45.8 15 18 A H H 3> S+ 0 0 0 -3,-0.2 4,-2.4 3,-0.2 8,-0.3 0.747 80.7 69.8 -81.9 -23.9 6.3 -21.5 49.5 16 19 A I H <4 S+ 0 0 0 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.944 112.9 27.3 -59.1 -48.1 4.0 -18.5 50.1 17 20 A G H 4 S+ 0 0 1 -4,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.764 132.5 34.6 -87.8 -25.1 1.3 -19.9 48.0 18 21 A L H < S+ 0 0 4 -4,-1.2 -3,-0.2 1,-0.1 -2,-0.2 0.648 132.1 19.4-106.1 -15.4 2.0 -23.6 48.2 19 22 A L >X + 0 0 18 -4,-2.4 3,-0.9 -5,-0.1 4,-0.9 -0.310 62.9 168.8-149.4 58.4 3.3 -24.1 51.8 20 23 A P G >4>S+ 0 0 8 0, 0.0 5,-3.0 0, 0.0 3,-1.0 0.803 77.3 59.8 -41.2 -42.6 2.2 -21.1 53.9 21 24 A K G >45S+ 0 0 103 1,-0.3 3,-2.8 3,-0.2 -5,-0.1 0.942 101.8 51.4 -54.6 -52.5 3.3 -22.8 57.1 22 25 A Q G <45S+ 0 0 57 -3,-0.9 -1,-0.3 1,-0.3 -6,-0.1 0.688 111.0 50.1 -60.6 -16.8 6.9 -23.2 56.0 23 26 A A G <<5S- 0 0 4 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.336 121.1-112.6-100.7 4.2 6.7 -19.4 55.3 24 27 A N T < 5S+ 0 0 131 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.802 73.7 135.2 68.8 31.9 5.3 -18.8 58.8 25 28 A I < - 0 0 0 -5,-3.0 2,-0.6 -6,-0.2 3,-0.2 -0.952 36.9-167.7-115.2 126.6 1.9 -17.7 57.4 26 29 A E + 0 0 139 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.787 41.9 121.0-117.6 89.4 -1.3 -19.0 58.9 27 30 A V + 0 0 24 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.652 61.5 65.8-115.4 -29.4 -4.3 -18.3 56.7 28 31 A F - 0 0 13 -3,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.774 60.1-155.8-100.2 141.5 -5.7 -21.7 56.0 29 32 A E S S+ 0 0 166 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.915 91.5 45.3 -79.2 -43.8 -7.2 -23.9 58.7 30 33 A H S S- 0 0 92 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.884 79.3-169.7-103.8 114.6 -6.5 -27.1 56.6 31 34 A N - 0 0 46 -2,-0.7 2,-0.3 -3,-0.1 -12,-0.1 -0.825 19.9-125.2-107.0 143.3 -3.0 -27.1 55.2 32 35 A L + 0 0 39 -2,-0.4 2,-0.2 -14,-0.1 63,-0.1 -0.632 41.1 165.0 -84.7 141.6 -1.7 -29.6 52.6 33 36 A D - 0 0 84 -2,-0.3 63,-1.8 2,-0.2 64,-0.1 -0.712 49.6 -86.9-142.1-166.5 1.5 -31.4 53.5 34 37 A N S S+ 0 0 40 61,-0.3 75,-2.3 -2,-0.2 2,-0.7 0.073 88.4 99.5 -98.1 21.9 4.0 -34.3 53.0 35 38 A N B +a 109 0A 72 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.867 35.8 166.7-115.7 100.6 2.1 -36.9 55.1 36 39 A L + 0 0 6 73,-2.4 2,-0.6 -2,-0.7 56,-0.3 0.444 50.5 94.4 -89.4 -2.1 0.0 -39.2 53.0 37 40 A V - 0 0 29 72,-0.6 2,-0.2 54,-0.1 54,-0.1 -0.825 52.4-176.3 -98.7 122.7 -0.6 -41.8 55.7 38 41 A Q > - 0 0 96 -2,-0.6 3,-1.2 52,-0.5 52,-0.1 -0.445 45.2 -85.1-102.4-178.9 -3.8 -41.5 57.8 39 42 A D T 3 S+ 0 0 156 1,-0.3 51,-0.0 -2,-0.2 -1,-0.0 0.937 126.5 28.7 -52.8 -55.8 -4.9 -43.6 60.7 40 43 A N T 3 S+ 0 0 120 2,-0.0 -1,-0.3 49,-0.0 2,-0.2 0.050 85.3 138.2 -98.3 26.2 -6.5 -46.4 58.7 41 44 A T < - 0 0 7 -3,-1.2 2,-0.2 48,-0.1 50,-0.1 -0.533 47.5-132.3 -73.5 136.3 -4.3 -46.2 55.6 42 45 A Q + 0 0 99 -2,-0.2 30,-0.2 2,-0.1 2,-0.1 -0.512 58.1 45.9 -89.1 156.2 -3.4 -49.6 54.3 43 46 A G S S- 0 0 32 -2,-0.2 2,-0.5 68,-0.1 30,-0.0 -0.321 93.4 -48.8 105.3 170.5 0.1 -50.9 53.3 44 47 A Q - 0 0 97 68,-0.3 68,-1.6 -2,-0.1 -2,-0.1 -0.707 57.5-123.5 -86.3 125.9 3.6 -50.7 54.8 45 48 A R E +B 111 0A 119 -2,-0.5 138,-0.5 66,-0.2 2,-0.3 -0.352 36.1 174.6 -65.3 142.2 4.7 -47.2 55.8 46 49 A I E -B 110 0A 8 64,-2.5 64,-2.6 136,-0.1 2,-0.5 -0.965 25.9-133.7-145.8 158.1 7.8 -45.9 54.3 47 50 A R E -Bc 109 184A 70 136,-2.2 138,-2.8 -2,-0.3 2,-0.5 -0.969 14.7-156.8-117.7 129.4 9.7 -42.6 54.3 48 51 A L E +Bc 108 185A 0 60,-2.7 60,-2.1 -2,-0.5 2,-0.3 -0.930 26.2 158.2-108.2 124.7 11.0 -41.1 51.1 49 52 A E E +Bc 107 186A 34 136,-2.4 138,-3.3 -2,-0.5 2,-0.3 -0.960 4.8 112.4-144.4 163.4 13.9 -38.7 51.4 50 53 A G E -B 106 0A 0 56,-1.7 56,-2.0 -2,-0.3 2,-0.3 -0.982 45.5 -95.3 168.0-162.9 16.7 -37.1 49.5 51 54 A Q - 0 0 25 -2,-0.3 138,-2.9 54,-0.2 2,-0.5 -0.938 20.4-128.2-142.7 162.7 18.1 -33.8 48.1 52 55 A V E -e 189 0B 0 52,-0.4 8,-2.4 8,-0.3 2,-0.4 -0.973 26.3-159.4-116.7 127.7 18.1 -32.0 44.7 53 56 A F E -eF 190 59B 34 136,-3.1 138,-2.3 -2,-0.5 139,-0.4 -0.855 3.7-144.8-112.5 144.8 21.5 -30.9 43.3 54 57 A D > - 0 0 18 4,-2.9 3,-2.0 -2,-0.4 138,-0.3 -0.138 47.7 -75.2 -89.8-168.9 22.3 -28.3 40.7 55 58 A G T 3 S+ 0 0 25 175,-2.0 176,-0.1 1,-0.3 -1,-0.1 0.562 132.9 53.0 -66.0 -8.9 25.1 -28.2 38.1 56 59 A L T 3 S- 0 0 108 2,-0.2 -1,-0.3 174,-0.2 137,-0.0 0.221 119.0-108.2-108.0 11.2 27.6 -27.5 40.8 57 60 A S S < S+ 0 0 93 -3,-2.0 -2,-0.1 1,-0.3 -4,-0.0 0.720 77.7 136.4 67.4 22.1 26.6 -30.4 43.0 58 61 A L - 0 0 97 1,-0.0 -4,-2.9 0, 0.0 -1,-0.3 -0.850 57.6-115.6-101.9 135.7 25.0 -28.0 45.4 59 62 A P B -F 53 0B 33 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.365 25.0-117.4 -68.3 146.1 21.6 -28.8 46.9 60 63 A L - 0 0 0 -8,-2.4 3,-0.4 44,-0.2 -8,-0.3 -0.759 24.2-171.1 -85.4 124.8 18.6 -26.5 46.1 61 64 A R S S+ 0 0 147 -2,-0.5 43,-0.1 1,-0.2 -1,-0.1 0.395 82.7 48.9 -96.4 2.8 17.4 -24.9 49.3 62 65 A D S S+ 0 0 15 73,-0.1 73,-0.3 36,-0.0 -48,-0.2 0.150 80.4 126.2-125.7 17.1 14.3 -23.4 47.6 63 66 A V - 0 0 0 -3,-0.4 36,-1.8 71,-0.1 2,-0.4 -0.445 44.5-150.4 -80.4 150.8 12.9 -26.4 45.7 64 67 A L E -GH 98 133C 0 69,-3.0 69,-2.3 34,-0.2 2,-0.4 -0.977 13.1-164.6-121.1 135.4 9.3 -27.6 46.0 65 68 A I E -GH 97 132C 0 32,-3.1 32,-2.5 -2,-0.4 2,-0.3 -0.940 10.1-179.8-125.9 144.0 8.3 -31.3 45.5 66 69 A E E -GH 96 131C 0 65,-1.8 65,-2.4 -2,-0.4 2,-0.3 -0.972 8.1-161.6-135.8 150.4 5.1 -33.1 44.9 67 70 A I E -GH 95 130C 0 28,-1.9 28,-1.4 -2,-0.3 2,-0.4 -0.950 5.8-164.2-133.5 153.5 4.3 -36.8 44.4 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.6 -2,-0.3 2,-0.3 -0.995 24.1 156.1-137.7 126.6 1.4 -38.8 43.0 69 72 A Q - 0 0 0 24,-2.1 59,-0.1 -2,-0.4 2,-0.1 -0.978 37.5-107.6-151.4 163.3 1.0 -42.6 43.6 70 73 A A - 0 0 1 57,-0.4 6,-0.2 -2,-0.3 23,-0.1 -0.318 43.0 -99.3 -84.7 170.3 -1.4 -45.5 43.8 71 74 A D > - 0 0 1 4,-2.6 43,-2.5 42,-0.1 3,-1.9 -0.009 53.6 -74.7 -78.1-168.8 -2.6 -47.2 47.0 72 75 A T T 3 S+ 0 0 39 1,-0.3 43,-0.2 -30,-0.2 -1,-0.1 0.737 134.0 49.3 -62.9 -21.2 -1.2 -50.5 48.3 73 76 A N T 3 S- 0 0 94 2,-0.2 -1,-0.3 41,-0.2 3,-0.1 0.275 121.1-102.6-101.6 12.3 -3.1 -52.4 45.7 74 77 A G S < S+ 0 0 0 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.827 79.6 131.6 74.1 31.3 -2.0 -50.3 42.7 75 78 A V - 0 0 2 41,-0.1 -4,-2.6 11,-0.1 13,-0.3 -0.965 52.4-131.3-118.7 132.3 -5.2 -48.4 42.4 76 79 A Y - 0 0 3 -2,-0.4 2,-3.0 -6,-0.2 5,-0.2 -0.653 14.7-127.6 -87.7 134.0 -5.3 -44.6 42.1 77 80 A P S S+ 0 0 21 0, 0.0 174,-0.3 0, 0.0 2,-0.3 -0.426 78.5 106.8 -74.0 69.4 -7.6 -42.5 44.3 78 81 A S S > S- 0 0 21 -2,-3.0 3,-2.0 172,-0.1 -2,-0.1 -0.990 76.3-132.9-151.0 139.9 -8.9 -40.8 41.1 79 82 A Q T 3 S+ 0 0 187 -2,-0.3 -1,-0.1 1,-0.3 169,-0.1 0.774 107.7 67.6 -63.0 -24.0 -12.1 -41.0 39.1 80 83 A A T 3 S+ 0 0 22 169,-0.2 2,-0.5 289,-0.2 -1,-0.3 0.611 75.4 103.8 -71.7 -11.9 -9.9 -41.4 36.1 81 84 A D < - 0 0 22 -3,-2.0 3,-0.3 -5,-0.2 -6,-0.0 -0.609 50.0-175.4 -74.1 121.9 -8.8 -44.8 37.3 82 85 A T + 0 0 97 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.076 48.7 109.6-107.2 24.8 -10.6 -47.4 35.2 83 86 A Q S S- 0 0 43 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.713 74.3-135.4 -74.0 -19.3 -9.5 -50.6 37.0 84 87 A G + 0 0 84 1,-0.3 2,-0.2 -3,-0.3 -1,-0.1 0.428 65.8 122.1 80.2 -5.5 -12.9 -51.3 38.5 85 88 A K S S- 0 0 130 1,-0.1 2,-0.4 -12,-0.0 -1,-0.3 -0.561 70.2-106.5 -88.8 156.7 -11.2 -52.1 41.8 86 88AA Q - 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