==== 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 1EOA . 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) . 18873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 57.5 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 . 0 0.0 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 . 37 8.4 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 . 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 3 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 3 0 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 . 3 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 0 170 0, 0.0 2,-0.2 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 140.4 -8.2 -25.4 19.1 2 5 A L - 0 0 68 286,-2.2 2,-0.3 285,-0.2 288,-0.0 -0.633 360.0-119.6 -98.8 154.8 -6.4 -23.4 21.9 3 6 A K - 0 0 79 -2,-0.2 424,-0.1 1,-0.1 -1,-0.0 -0.688 36.2 -98.7 -92.7 146.2 -2.8 -23.5 23.0 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.320 46.6 -97.9 -61.0 139.9 -1.8 -24.6 26.5 5 8 A T - 0 0 4 422,-2.8 -1,-0.1 1,-0.1 424,-0.1 -0.425 51.1-107.3 -58.7 130.3 -1.1 -21.6 28.8 6 9 A P - 0 0 0 0, 0.0 372,-0.3 0, 0.0 211,-0.1 -0.342 32.3-118.0 -65.2 142.4 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 -0.334 28.8-174.5 -77.1 159.6 4.7 -22.2 31.8 8 11 A Q - 0 0 3 368,-1.5 132,-0.1 129,-0.1 368,-0.1 -0.962 37.9 -79.1-148.3 156.5 6.8 -19.9 34.0 9 12 A T - 0 0 0 -2,-0.3 129,-0.2 1,-0.1 126,-0.2 -0.181 32.6-125.8 -57.5 151.2 9.1 -20.6 36.9 10 13 A G - 0 0 2 127,-0.6 125,-0.2 124,-0.5 -1,-0.1 0.708 54.0-133.9 -70.3 -19.2 7.6 -21.1 40.3 11 14 A G > - 0 0 2 123,-0.3 3,-1.2 126,-0.2 124,-0.4 0.087 21.5 -74.5 85.3 161.3 9.8 -18.3 41.5 12 15 A P T 3 S+ 0 0 47 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.790 128.7 47.0 -63.7 -30.1 12.1 -17.9 44.6 13 16 A Y T > + 0 0 27 1,-0.2 3,-2.1 -3,-0.1 4,-0.4 0.094 67.6 134.5-102.3 25.4 9.2 -17.4 47.1 14 17 A V T <> + 0 0 0 -3,-1.2 4,-1.5 1,-0.3 5,-0.3 0.627 59.5 74.0 -48.1 -17.0 7.1 -20.3 45.9 15 18 A H H 3> S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.842 81.0 68.7 -70.0 -33.2 6.4 -21.3 49.5 16 19 A I H <4 S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.922 111.8 29.8 -50.4 -50.4 4.1 -18.4 50.2 17 20 A G H 4 S+ 0 0 1 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.791 131.6 31.0 -85.2 -29.0 1.4 -19.8 48.0 18 21 A L H < S+ 0 0 3 -4,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.651 133.4 21.7-105.8 -16.7 1.9 -23.6 48.1 19 22 A L >X + 0 0 17 -4,-2.6 3,-0.9 -5,-0.3 4,-0.8 -0.396 64.1 167.7-147.3 63.0 3.3 -24.1 51.7 20 23 A P G >4>S+ 0 0 8 0, 0.0 5,-2.6 0, 0.0 3,-1.2 0.831 76.2 60.4 -45.6 -43.7 2.2 -21.1 53.8 21 24 A K G >45S+ 0 0 106 1,-0.3 3,-2.4 3,-0.2 5,-0.1 0.913 100.4 53.5 -53.2 -48.8 3.2 -22.8 57.0 22 25 A Q G <45S+ 0 0 56 -3,-0.9 -1,-0.3 1,-0.3 -6,-0.1 0.701 110.4 49.0 -62.8 -17.9 6.9 -23.1 55.9 23 26 A A G <<5S- 0 0 5 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.186 121.1-109.5-104.9 14.6 6.8 -19.4 55.3 24 27 A N T < 5S+ 0 0 134 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.843 74.2 137.9 61.8 36.0 5.3 -18.7 58.7 25 28 A I < - 0 0 0 -5,-2.6 2,-1.0 -6,-0.1 3,-0.3 -0.924 34.1-170.6-117.8 108.8 1.9 -17.7 57.2 26 29 A E + 0 0 142 -2,-0.6 3,-0.1 1,-0.2 -5,-0.0 -0.811 42.4 119.8-100.7 97.6 -1.2 -19.0 59.0 27 30 A V + 0 0 24 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.568 59.2 65.4-126.6 -28.0 -4.1 -18.2 56.8 28 31 A F - 0 0 13 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.789 59.8-154.6-103.0 143.3 -5.6 -21.6 56.0 29 32 A E S S+ 0 0 191 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.931 92.1 44.0 -77.9 -48.1 -7.2 -23.9 58.5 30 33 A H S S- 0 0 78 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.871 79.4-167.2-101.5 116.1 -6.5 -27.0 56.5 31 34 A N - 0 0 36 -2,-0.6 2,-0.3 -3,-0.1 -12,-0.1 -0.857 18.9-127.6-107.0 137.0 -3.0 -27.0 55.0 32 35 A L + 0 0 23 -2,-0.4 2,-0.2 -14,-0.1 63,-0.1 -0.603 43.2 161.0 -79.5 138.9 -1.7 -29.4 52.4 33 36 A D - 0 0 81 -2,-0.3 63,-2.1 2,-0.2 64,-0.1 -0.673 51.2 -83.4-142.0-162.4 1.5 -31.3 53.3 34 37 A N S S+ 0 0 40 61,-0.3 75,-2.3 -2,-0.2 2,-0.7 0.089 88.0 99.8-100.0 20.2 3.9 -34.2 52.8 35 38 A N B +a 109 0A 77 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.865 33.5 163.4-112.8 101.3 2.0 -36.7 54.9 36 39 A L + 0 0 5 73,-2.5 2,-0.6 -2,-0.7 56,-0.3 0.529 50.0 95.5 -91.2 -7.2 -0.0 -39.1 52.8 37 40 A V - 0 0 31 72,-0.7 2,-0.2 54,-0.1 54,-0.1 -0.766 54.0-174.5 -92.8 118.6 -0.5 -41.8 55.5 38 41 A Q > - 0 0 93 -2,-0.6 3,-1.5 52,-0.6 52,-0.1 -0.483 42.6 -91.7 -99.5 175.1 -3.7 -41.5 57.5 39 42 A D T 3 S+ 0 0 157 1,-0.3 -1,-0.0 -2,-0.2 51,-0.0 0.913 125.8 31.7 -52.7 -51.2 -4.8 -43.5 60.6 40 43 A N T 3 S+ 0 0 118 2,-0.0 2,-0.3 49,-0.0 -1,-0.3 0.050 86.5 136.0 -99.0 25.3 -6.6 -46.2 58.5 41 44 A T < - 0 0 4 -3,-1.5 2,-0.2 48,-0.1 50,-0.1 -0.580 49.1-133.5 -76.3 132.6 -4.3 -46.1 55.5 42 45 A Q + 0 0 97 -2,-0.3 30,-0.3 2,-0.1 2,-0.1 -0.512 57.8 46.5 -86.0 153.6 -3.4 -49.6 54.2 43 46 A G S S- 0 0 27 -2,-0.2 2,-0.5 68,-0.1 30,-0.0 -0.356 92.8 -47.7 108.9 169.6 0.1 -50.7 53.2 44 47 A Q - 0 0 91 68,-0.3 68,-1.7 -2,-0.1 -2,-0.1 -0.694 57.4-124.0 -84.0 123.6 3.6 -50.6 54.5 45 48 A R E +B 111 0A 111 -2,-0.5 138,-0.5 66,-0.2 2,-0.3 -0.361 36.2 176.4 -63.0 140.9 4.6 -47.1 55.7 46 49 A I E -B 110 0A 8 64,-2.8 64,-2.6 136,-0.1 2,-0.5 -0.980 25.6-135.0-145.7 155.4 7.8 -45.8 54.1 47 50 A R E -Bc 109 184A 72 136,-2.2 138,-2.8 -2,-0.3 2,-0.6 -0.959 14.3-159.8-115.5 126.3 9.7 -42.5 54.2 48 51 A L E +Bc 108 185A 0 60,-2.5 60,-2.2 -2,-0.5 2,-0.3 -0.933 25.4 158.2-108.2 119.2 10.9 -41.0 51.0 49 52 A E E +Bc 107 186A 21 136,-2.2 138,-2.9 -2,-0.6 2,-0.3 -0.936 3.4 115.4-139.0 163.2 13.8 -38.5 51.4 50 53 A G E -B 106 0A 0 56,-1.7 56,-2.2 -2,-0.3 2,-0.3 -0.982 44.2 -96.4 170.2-164.9 16.6 -36.9 49.4 51 54 A Q - 0 0 24 -2,-0.3 138,-2.8 54,-0.2 2,-0.5 -0.920 19.9-129.1-140.3 164.6 18.1 -33.7 48.0 52 55 A V E -e 189 0B 0 52,-0.4 8,-2.8 8,-0.3 2,-0.4 -0.984 24.8-161.3-120.0 124.7 18.1 -31.8 44.7 53 56 A F E -eF 190 59B 32 136,-2.8 138,-2.1 -2,-0.5 139,-0.5 -0.880 5.1-145.6-111.6 140.6 21.4 -30.7 43.3 54 57 A D > - 0 0 19 4,-2.9 3,-1.5 -2,-0.4 138,-0.2 -0.089 47.9 -74.9 -85.2-168.8 22.1 -28.1 40.7 55 58 A G T 3 S+ 0 0 27 175,-2.0 139,-0.1 1,-0.3 176,-0.1 0.657 131.2 54.2 -64.0 -17.6 24.9 -28.1 38.1 56 59 A L T 3 S- 0 0 116 2,-0.2 -1,-0.3 174,-0.1 137,-0.0 0.532 119.5-105.9 -93.4 -7.6 27.5 -27.3 40.6 57 60 A G S < S+ 0 0 45 -3,-1.5 -2,-0.1 1,-0.3 136,-0.0 0.628 78.7 133.8 90.8 16.1 26.6 -30.2 42.9 58 61 A L - 0 0 98 1,-0.0 -4,-2.9 0, 0.0 -1,-0.3 -0.822 59.0-112.7-102.9 137.6 25.0 -27.9 45.4 59 62 A P B -F 53 0B 33 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.405 25.3-121.0 -68.9 139.9 21.5 -28.6 46.9 60 63 A L - 0 0 0 -8,-2.8 -8,-0.3 44,-0.1 3,-0.3 -0.703 23.1-170.8 -79.2 126.5 18.6 -26.3 46.0 61 64 A R S S+ 0 0 142 -2,-0.5 -1,-0.1 1,-0.2 43,-0.1 0.237 81.9 50.3-102.0 12.4 17.3 -24.8 49.2 62 65 A D S S+ 0 0 13 73,-0.1 73,-0.3 42,-0.1 2,-0.2 0.128 79.2 125.5-133.4 19.6 14.2 -23.3 47.5 63 66 A V - 0 0 0 -3,-0.3 36,-2.1 71,-0.1 2,-0.4 -0.535 45.2-149.6 -85.3 147.9 12.8 -26.3 45.6 64 67 A L E -GH 98 133C 0 69,-3.0 69,-2.5 34,-0.2 2,-0.4 -0.961 13.7-165.3-117.5 134.3 9.2 -27.5 45.9 65 68 A I E -GH 97 132C 0 32,-3.2 32,-2.7 -2,-0.4 2,-0.3 -0.948 9.5-179.4-125.4 142.4 8.3 -31.2 45.4 66 69 A E E -GH 96 131C 0 65,-2.0 65,-2.1 -2,-0.4 2,-0.3 -0.968 8.6-159.9-134.1 148.9 5.0 -33.0 44.9 67 70 A I E -GH 95 130C 0 28,-1.9 28,-1.4 -2,-0.3 2,-0.4 -0.940 6.2-165.4-130.4 154.8 4.3 -36.7 44.4 68 71 A W E +GH 94 129C 0 61,-2.3 61,-2.6 -2,-0.3 2,-0.3 -0.989 24.3 155.9-138.8 124.6 1.4 -38.7 42.9 69 72 A Q - 0 0 0 24,-2.4 59,-0.1 -2,-0.4 2,-0.1 -0.959 38.1-108.2-148.7 165.8 1.0 -42.4 43.5 70 73 A A - 0 0 0 57,-0.5 6,-0.2 -2,-0.3 23,-0.1 -0.391 42.4-101.0 -88.4 170.0 -1.4 -45.3 43.7 71 74 A D > - 0 0 1 4,-2.8 43,-2.6 42,-0.1 3,-1.4 0.041 52.1 -75.5 -77.2-164.6 -2.5 -47.0 46.9 72 75 A T T 3 S+ 0 0 41 -30,-0.3 43,-0.2 1,-0.3 -29,-0.1 0.740 133.1 49.2 -68.5 -22.2 -1.2 -50.3 48.2 73 76 A N T 3 S- 0 0 90 2,-0.2 -1,-0.3 41,-0.2 3,-0.1 0.283 121.3-103.5 -99.7 11.3 -3.2 -52.3 45.6 74 77 A G S < S+ 0 0 0 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.848 78.6 132.1 73.1 34.2 -2.1 -50.2 42.7 75 78 A V - 0 0 3 41,-0.1 -4,-2.8 11,-0.1 -1,-0.3 -0.963 52.1-132.0-118.9 134.6 -5.3 -48.2 42.4 76 79 A Y - 0 0 3 -2,-0.4 2,-3.2 -6,-0.2 5,-0.2 -0.714 15.4-127.5 -89.3 132.8 -5.3 -44.4 42.0 77 80 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 174,-0.3 -0.399 77.7 109.5 -74.0 67.6 -7.6 -42.4 44.2 78 81 A S S > S- 0 0 14 -2,-3.2 3,-2.1 172,-0.1 -2,-0.1 -0.996 76.1-132.6-146.5 139.3 -8.9 -40.7 41.0 79 82 A Q T 3 S+ 0 0 168 -2,-0.3 -1,-0.1 1,-0.3 169,-0.1 0.704 108.0 66.5 -63.3 -18.0 -12.1 -40.8 39.1 80 83 A A T 3 S+ 0 0 20 169,-0.3 2,-0.5 289,-0.2 -1,-0.3 0.585 74.3 105.3 -79.3 -10.4 -9.9 -41.2 36.0 81 84 A D < - 0 0 22 -3,-2.1 3,-0.3 -5,-0.2 -6,-0.0 -0.598 48.9-175.2 -73.0 121.9 -8.8 -44.7 37.3 82 85 A T + 0 0 95 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.143 49.2 110.4-105.7 21.0 -10.6 -47.2 35.1 83 86 A Q S S- 0 0 42 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.698 75.3-135.2 -69.6 -17.0 -9.4 -50.4 36.9 84 87 A G + 0 0 81 -3,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.513 65.7 122.2 75.8 0.7 -12.9 -51.0 38.3 85 88 A K - 0 0 126 1,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.601 69.7-108.3 -93.9 158.4 -11.3 -51.8 41.6 86 88AA Q - 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