==== 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 1EOC . 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) . 18838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 18.0 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 . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.0 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 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 RESIDUES PER ALPHA HELIX . 2 4 1 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 0 PARALLEL BRIDGES PER LADDER . 5 1 2 1 5 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 . 3 2 0 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 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 0 174 0, 0.0 2,-0.2 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 137.4 -8.3 -25.2 19.0 2 5 A L - 0 0 65 286,-2.0 2,-0.3 285,-0.2 288,-0.1 -0.620 360.0-119.3 -97.8 156.3 -6.5 -23.3 21.8 3 6 A K - 0 0 76 -2,-0.2 424,-0.1 1,-0.1 -1,-0.0 -0.698 35.9 -99.5 -93.7 145.5 -2.9 -23.5 22.9 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.263 47.7 -96.4 -58.4 146.0 -1.9 -24.6 26.4 5 8 A T - 0 0 4 422,-3.0 -1,-0.1 1,-0.1 2,-0.1 -0.493 50.5-106.8 -64.5 133.7 -1.1 -21.6 28.7 6 9 A P - 0 0 0 0, 0.0 372,-0.4 0, 0.0 211,-0.1 -0.394 33.6-116.7 -67.1 140.6 2.7 -21.2 28.7 7 10 A S - 0 0 3 370,-0.1 2,-0.3 -2,-0.1 370,-0.2 -0.282 28.8-172.1 -74.3 159.3 4.7 -22.2 31.7 8 11 A Q - 0 0 2 368,-1.6 132,-0.1 129,-0.1 368,-0.1 -0.971 35.4 -85.3-146.9 154.6 6.7 -19.9 34.0 9 12 A T - 0 0 1 -2,-0.3 129,-0.2 1,-0.1 126,-0.2 -0.236 30.3-128.5 -60.7 152.4 9.1 -20.6 36.8 10 13 A G - 0 0 2 124,-0.6 3,-0.2 127,-0.5 125,-0.2 0.739 48.9-139.2 -73.5 -22.4 7.6 -21.0 40.3 11 14 A G > - 0 0 4 123,-0.4 3,-1.1 126,-0.2 124,-0.3 -0.018 27.3 -68.8 85.0 167.3 10.0 -18.3 41.5 12 15 A P T 3 S+ 0 0 43 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.708 130.8 49.4 -66.6 -23.1 12.1 -18.2 44.8 13 16 A Y T >> + 0 0 20 -3,-0.2 3,-2.0 1,-0.2 4,-0.5 0.038 63.9 129.5-108.5 27.5 9.0 -17.6 47.0 14 17 A V H <> + 0 0 0 -3,-1.1 4,-1.8 1,-0.3 5,-0.3 0.733 64.6 72.8 -51.4 -22.5 6.8 -20.4 45.6 15 18 A H H 3> S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 8,-0.3 0.837 81.5 68.7 -64.1 -35.4 6.3 -21.4 49.3 16 19 A I H <4 S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.945 113.3 26.4 -49.6 -55.9 4.0 -18.5 50.0 17 20 A G H < S+ 0 0 2 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.767 133.2 33.8 -82.9 -26.7 1.2 -19.8 47.8 18 21 A L H < S+ 0 0 4 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.704 133.1 19.9-102.9 -22.3 1.9 -23.5 48.0 19 22 A L >X + 0 0 17 -4,-2.7 4,-1.0 -5,-0.3 3,-0.7 -0.418 65.6 167.9-144.8 63.1 3.3 -24.1 51.5 20 23 A P G >4>S+ 0 0 8 0, 0.0 5,-2.6 0, 0.0 3,-0.8 0.834 74.9 60.1 -44.7 -46.2 2.2 -21.0 53.6 21 24 A K G >45S+ 0 0 107 1,-0.3 3,-2.3 3,-0.2 5,-0.1 0.925 102.5 51.4 -51.6 -51.3 3.2 -22.7 56.9 22 25 A Q G <45S+ 0 0 59 -3,-0.7 -1,-0.3 1,-0.3 -6,-0.1 0.770 111.6 48.0 -59.4 -26.5 6.9 -23.0 55.8 23 26 A A G <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.319 123.0-109.3 -95.2 6.2 6.8 -19.3 54.9 24 27 A N T < 5S+ 0 0 124 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.829 74.0 135.6 70.2 36.4 5.2 -18.5 58.3 25 28 A I < - 0 0 0 -5,-2.6 2,-0.6 -6,-0.1 3,-0.3 -0.966 34.5-170.3-118.4 122.2 1.8 -17.6 57.0 26 29 A E + 0 0 141 -2,-0.5 3,-0.0 1,-0.2 -5,-0.0 -0.613 42.3 121.6-112.4 73.3 -1.3 -19.0 58.8 27 30 A V + 0 0 24 -2,-0.6 2,-0.3 234,-0.0 -1,-0.2 0.777 61.3 65.4 -98.8 -34.2 -4.3 -18.2 56.5 28 31 A F - 0 0 12 -3,-0.3 3,-0.1 1,-0.1 229,-0.1 -0.706 59.1-157.7 -95.5 142.1 -5.6 -21.7 55.9 29 32 A E S S+ 0 0 163 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.905 91.8 45.2 -79.1 -44.4 -7.1 -24.0 58.6 30 33 A H S S- 0 0 93 226,-0.5 2,-0.5 2,-0.0 -1,-0.2 -0.896 78.9-169.3-103.7 118.3 -6.4 -27.0 56.4 31 34 A N - 0 0 41 -2,-0.6 2,-0.1 -3,-0.1 -12,-0.0 -0.923 21.6-125.1-114.2 129.2 -3.0 -27.1 54.9 32 35 A L + 0 0 31 -2,-0.5 2,-0.2 -14,-0.1 63,-0.1 -0.430 44.4 165.5 -67.2 140.4 -1.8 -29.5 52.2 33 36 A D - 0 0 77 2,-0.2 63,-2.3 -2,-0.1 64,-0.1 -0.691 49.3 -86.7-142.1-164.9 1.4 -31.3 53.2 34 37 A N S S+ 0 0 39 61,-0.3 75,-2.5 -2,-0.2 2,-0.7 0.097 88.2 99.3-100.3 20.5 3.9 -34.1 52.7 35 38 A N B +a 109 0A 74 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.890 34.5 165.2-113.3 104.4 2.0 -36.8 54.8 36 39 A L + 0 0 4 73,-2.7 2,-0.6 -2,-0.7 56,-0.4 0.500 50.7 95.4 -94.0 -5.3 -0.0 -39.2 52.7 37 40 A V - 0 0 30 72,-0.8 2,-0.2 54,-0.1 54,-0.1 -0.779 54.0-174.2 -92.8 120.6 -0.5 -41.8 55.4 38 41 A Q > - 0 0 93 -2,-0.6 3,-1.2 52,-0.6 52,-0.1 -0.492 44.0 -88.9-100.8 177.2 -3.8 -41.4 57.4 39 42 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.894 126.5 29.2 -54.2 -45.8 -4.9 -43.4 60.4 40 43 A N T 3 S+ 0 0 117 2,-0.0 -1,-0.3 50,-0.0 50,-0.2 0.177 85.4 136.2-104.2 18.1 -6.5 -46.2 58.4 41 44 A T < - 0 0 3 -3,-1.2 2,-0.2 48,-0.1 50,-0.1 -0.418 48.9-131.1 -66.6 139.7 -4.4 -46.0 55.2 42 45 A Q + 0 0 100 -2,-0.1 30,-0.3 2,-0.1 2,-0.1 -0.553 57.8 45.3 -92.9 157.3 -3.4 -49.5 54.0 43 46 A G S S- 0 0 27 -2,-0.2 2,-0.4 68,-0.1 30,-0.0 -0.201 92.9 -48.0 102.5 165.3 0.1 -50.8 53.0 44 47 A Q - 0 0 95 68,-0.2 68,-2.0 -2,-0.1 2,-0.2 -0.588 58.1-126.0 -77.8 130.8 3.6 -50.6 54.4 45 48 A R E +B 111 0A 120 -2,-0.4 138,-0.6 66,-0.2 2,-0.3 -0.541 33.4 176.5 -78.6 137.1 4.6 -47.1 55.4 46 49 A I E -Bc 110 183A 7 64,-2.6 64,-2.2 -2,-0.2 2,-0.5 -0.934 25.9-130.8-137.4 160.3 7.8 -45.7 53.9 47 50 A R E -Bc 109 184A 71 136,-2.0 138,-3.0 -2,-0.3 2,-0.6 -0.949 15.3-158.5-114.6 131.0 9.8 -42.5 54.0 48 51 A L E +Bc 108 185A 0 60,-2.5 60,-1.8 -2,-0.5 2,-0.3 -0.948 26.7 157.8-112.7 115.0 10.9 -40.9 50.8 49 52 A E E +Bc 107 186A 21 136,-2.1 138,-3.0 -2,-0.6 2,-0.3 -0.886 3.5 112.7-134.5 165.8 13.8 -38.5 51.2 50 53 A G E -B 106 0A 0 56,-1.6 56,-2.1 -2,-0.3 2,-0.3 -0.988 45.3 -94.6 165.2-166.0 16.6 -36.9 49.3 51 54 A Q - 0 0 27 -2,-0.3 138,-3.1 54,-0.2 2,-0.5 -0.912 18.7-130.8-140.0 164.9 18.1 -33.7 47.8 52 55 A V E -e 189 0B 0 52,-0.4 8,-3.0 8,-0.3 2,-0.3 -0.988 25.5-161.4-121.8 121.3 18.0 -31.8 44.5 53 56 A F E -eF 190 59B 34 136,-2.8 138,-2.1 -2,-0.5 139,-0.4 -0.824 5.5-143.5-108.3 144.9 21.4 -30.7 43.2 54 57 A D > - 0 0 16 4,-3.0 3,-1.7 -2,-0.3 138,-0.2 -0.137 47.7 -75.6 -88.4-170.0 22.2 -28.1 40.5 55 58 A G T 3 S+ 0 0 26 175,-2.2 139,-0.1 1,-0.3 176,-0.1 0.567 131.8 54.2 -66.1 -9.5 24.9 -28.1 37.9 56 59 A L T 3 S- 0 0 114 2,-0.2 -1,-0.3 174,-0.2 137,-0.0 0.469 119.3-106.6-100.6 -6.1 27.5 -27.3 40.6 57 60 A G S < S+ 0 0 45 -3,-1.7 -2,-0.1 1,-0.3 136,-0.0 0.552 78.5 135.1 90.4 8.4 26.6 -30.2 42.8 58 61 A L - 0 0 99 1,-0.1 -4,-3.0 0, 0.0 -1,-0.3 -0.744 58.3-114.6 -94.1 138.1 24.9 -27.8 45.2 59 62 A P B -F 53 0B 37 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.411 25.4-118.5 -70.9 142.8 21.5 -28.6 46.7 60 63 A L - 0 0 0 -8,-3.0 3,-0.3 44,-0.2 -8,-0.3 -0.708 24.8-171.2 -80.4 126.5 18.5 -26.3 45.8 61 64 A R S S+ 0 0 141 -2,-0.5 43,-0.1 1,-0.2 -1,-0.1 0.372 81.7 49.1-101.1 5.9 17.3 -24.8 49.0 62 65 A D S S+ 0 0 10 73,-0.1 73,-0.3 42,-0.1 -48,-0.2 0.103 80.5 126.9-128.4 21.2 14.2 -23.3 47.4 63 66 A V - 0 0 0 -3,-0.3 36,-2.0 71,-0.1 2,-0.4 -0.524 44.8-149.7 -85.0 147.6 12.8 -26.2 45.5 64 67 A L E -GH 98 133C 0 69,-3.0 69,-2.0 34,-0.2 2,-0.3 -0.963 13.1-162.7-116.9 132.6 9.2 -27.5 45.8 65 68 A I E -GH 97 132C 0 32,-2.8 32,-2.3 -2,-0.4 2,-0.3 -0.892 9.8-179.7-119.1 147.2 8.3 -31.2 45.4 66 69 A E E -GH 96 131C 0 65,-1.6 65,-2.4 -2,-0.3 2,-0.3 -0.991 7.9-161.2-140.4 144.9 5.1 -33.0 44.7 67 70 A I E -GH 95 130C 0 28,-1.8 28,-1.4 -2,-0.3 2,-0.4 -0.945 5.8-165.3-129.5 152.6 4.3 -36.7 44.3 68 71 A W E +GH 94 129C 0 61,-2.5 61,-2.9 -2,-0.3 2,-0.3 -0.997 24.5 154.3-136.0 125.8 1.4 -38.7 42.8 69 72 A Q - 0 0 0 24,-2.3 2,-0.1 -2,-0.4 59,-0.1 -0.966 37.7-109.7-150.8 166.2 1.0 -42.4 43.4 70 73 A A - 0 0 0 57,-0.4 6,-0.3 -2,-0.3 41,-0.1 -0.449 42.6 -97.5 -91.9 168.0 -1.5 -45.3 43.6 71 74 A D > - 0 0 0 4,-2.8 43,-2.6 42,-0.2 3,-1.9 0.042 53.4 -75.8 -73.6-170.4 -2.6 -47.1 46.8 72 75 A T T 3 S+ 0 0 41 -30,-0.3 43,-0.2 1,-0.3 -1,-0.1 0.721 133.5 49.9 -62.1 -20.3 -1.1 -50.4 48.1 73 76 A N T 3 S- 0 0 89 2,-0.2 -1,-0.3 41,-0.2 3,-0.1 0.266 121.0-103.3-103.0 12.0 -3.1 -52.3 45.4 74 77 A G S < S+ 0 0 0 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.831 79.0 131.3 73.2 32.7 -2.0 -50.1 42.5 75 78 A V - 0 0 2 41,-0.1 -4,-2.8 11,-0.1 13,-0.3 -0.975 51.9-133.7-119.1 129.9 -5.2 -48.2 42.2 76 79 A Y - 0 0 3 -2,-0.4 2,-2.8 -6,-0.3 5,-0.2 -0.636 16.2-126.0 -85.7 137.8 -5.2 -44.4 41.9 77 80 A P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 174,-0.3 -0.443 77.3 110.9 -77.5 67.6 -7.6 -42.4 44.1 78 81 A S S > S- 0 0 13 -2,-2.8 3,-2.4 172,-0.1 -2,-0.1 -0.995 75.3-134.2-145.7 137.7 -8.9 -40.7 40.9 79 82 A Q T 3 S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 169,-0.1 0.726 108.7 67.5 -61.2 -18.9 -12.1 -40.8 38.9 80 83 A A T 3 S+ 0 0 21 169,-0.3 2,-0.5 289,-0.2 -1,-0.3 0.622 74.3 104.6 -76.5 -13.6 -9.8 -41.2 35.9 81 84 A D < - 0 0 23 -3,-2.4 3,-0.3 -5,-0.2 -6,-0.0 -0.583 49.1-175.5 -71.9 121.7 -8.8 -44.6 37.2 82 85 A T + 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.178 48.7 111.2-103.3 16.1 -10.5 -47.2 35.0 83 86 A Q S S- 0 0 39 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.587 73.9-135.9 -68.8 -10.5 -9.4 -50.3 36.8 84 87 A G + 0 0 84 -3,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.461 67.4 118.6 70.6 -4.4 -12.9 -51.2 38.1 85 88 A K S S- 0 0 127 1,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.556 71.7-106.7 -91.5 160.6 -11.3 -51.9 41.5 86 88AA Q - 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