==== 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 17-JUN-05 2BUT . 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) . 18827.0 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 . 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 . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.8 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 2 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 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 0 6 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 1 2 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 0 180 0, 0.0 2,-0.3 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 140.4 -8.3 -25.3 19.3 2 5 A L - 0 0 55 286,-2.3 2,-0.3 285,-0.1 288,-0.1 -0.728 360.0-123.6-103.5 153.7 -6.4 -23.5 22.0 3 6 A K - 0 0 79 -2,-0.3 424,-0.1 1,-0.1 2,-0.0 -0.665 39.8 -99.3 -89.6 144.3 -2.7 -23.6 22.9 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.369 45.2 -98.7 -55.2 145.5 -1.8 -24.6 26.5 5 8 A T - 0 0 4 422,-2.8 -1,-0.1 1,-0.1 2,-0.1 -0.474 51.8-106.2 -62.9 134.3 -1.0 -21.6 28.8 6 9 A P - 0 0 0 0, 0.0 372,-0.3 0, 0.0 211,-0.1 -0.345 29.2-117.0 -71.2 146.7 2.8 -21.3 28.9 7 10 A S - 0 0 3 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.341 29.3-174.8 -73.5 155.1 4.8 -22.4 31.9 8 11 A Q - 0 0 2 368,-1.5 132,-0.2 129,-0.1 368,-0.1 -0.967 38.2 -82.0-144.1 154.7 6.9 -19.9 33.9 9 12 A T - 0 0 2 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.190 28.6-127.6 -55.4 150.7 9.2 -20.6 36.8 10 13 A G - 0 0 2 127,-0.6 3,-0.3 124,-0.5 125,-0.2 0.757 48.7-148.3 -66.8 -26.0 7.7 -21.0 40.3 11 14 A G > - 0 0 4 123,-0.4 3,-1.3 126,-0.2 124,-0.3 0.021 31.7 -60.1 77.6 173.3 10.2 -18.4 41.5 12 15 A P T 3 S+ 0 0 41 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.637 130.8 50.1 -67.4 -18.1 12.0 -18.1 44.9 13 16 A Y T >> + 0 0 32 -3,-0.3 3,-2.5 1,-0.2 4,-0.7 0.147 60.7 130.1-109.5 20.4 8.8 -17.7 46.9 14 17 A V H <> + 0 0 0 -3,-1.3 4,-1.8 1,-0.3 5,-0.2 0.737 68.1 70.8 -45.9 -22.0 6.8 -20.6 45.6 15 18 A H H 3> S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 8,-0.3 0.829 84.3 64.6 -65.1 -33.0 6.3 -21.4 49.4 16 19 A I H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.971 115.3 29.5 -58.5 -47.8 4.0 -18.5 50.1 17 20 A G H < S+ 0 0 1 -4,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.754 131.7 32.6 -88.0 -21.0 1.5 -19.9 47.8 18 21 A L H < S+ 0 0 4 -4,-1.8 -3,-0.2 1,-0.1 -2,-0.2 0.765 132.3 17.3-109.9 -19.8 2.1 -23.5 48.1 19 22 A L >X + 0 0 21 -4,-2.3 3,-2.2 -5,-0.2 4,-0.8 -0.375 65.2 173.8-140.9 57.1 3.3 -24.2 51.7 20 23 A P G >4>S+ 0 0 7 0, 0.0 5,-3.2 0, 0.0 3,-0.7 0.730 75.6 60.8 -42.3 -32.7 2.3 -21.1 53.7 21 24 A K G >45S+ 0 0 108 3,-0.3 3,-1.5 1,-0.3 5,-0.1 0.882 100.0 55.5 -64.1 -35.5 3.4 -22.6 57.1 22 25 A Q G <45S+ 0 0 52 -3,-2.2 -1,-0.3 1,-0.3 -6,-0.1 0.784 111.6 44.0 -66.5 -23.1 7.0 -22.9 55.8 23 26 A A G <<5S- 0 0 5 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.282 121.3-114.5 -98.5 7.1 6.8 -19.2 55.1 24 27 A N T < 5 + 0 0 128 -3,-1.5 2,-0.6 -5,-0.3 -3,-0.3 0.811 69.6 139.7 61.7 35.1 5.2 -18.7 58.5 25 28 A I < - 0 0 0 -5,-3.2 2,-0.8 -6,-0.1 3,-0.3 -0.936 35.2-165.6-110.2 120.8 1.8 -17.6 57.1 26 29 A E + 0 0 151 -2,-0.6 3,-0.1 1,-0.2 -5,-0.0 -0.788 43.6 121.0-109.0 90.3 -1.2 -18.9 58.9 27 30 A V + 0 0 24 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.637 58.5 65.8-116.6 -28.4 -4.2 -18.2 56.6 28 31 A F - 0 0 16 -3,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.762 57.9-156.0-100.6 145.5 -5.7 -21.6 56.0 29 32 A E S S+ 0 0 192 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.913 91.6 45.8 -81.9 -42.1 -7.3 -23.9 58.5 30 33 A H S S- 0 0 69 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.851 79.3-166.4-100.7 122.1 -6.6 -27.0 56.4 31 34 A N - 0 0 33 -2,-0.6 2,-0.2 -3,-0.1 -12,-0.1 -0.901 16.9-130.1-113.3 136.0 -3.1 -27.2 55.1 32 35 A L + 0 0 24 -2,-0.4 2,-0.2 -14,-0.1 63,-0.1 -0.556 42.4 157.7 -79.6 143.9 -1.8 -29.5 52.4 33 36 A D - 0 0 82 -2,-0.2 63,-1.7 2,-0.2 64,-0.1 -0.733 52.2 -79.4-150.3-162.2 1.4 -31.3 53.3 34 37 A N S S+ 0 0 38 61,-0.3 75,-2.2 -2,-0.2 2,-0.7 0.123 88.2 98.5 -98.5 16.2 3.9 -34.2 52.9 35 38 A N B +a 109 0A 77 73,-0.2 -2,-0.2 1,-0.1 75,-0.2 -0.890 34.2 165.2-110.7 107.4 2.0 -36.8 55.0 36 39 A L + 0 0 4 73,-2.8 2,-0.5 -2,-0.7 56,-0.4 0.503 51.0 94.7 -96.6 -4.8 0.0 -39.2 52.9 37 40 A V - 0 0 28 72,-0.5 2,-0.2 54,-0.1 54,-0.1 -0.802 50.5-176.6 -95.4 120.0 -0.6 -41.8 55.8 38 41 A Q > - 0 0 82 52,-0.6 3,-1.3 -2,-0.5 52,-0.1 -0.637 44.9 -96.5-102.4 167.5 -3.8 -41.5 57.7 39 42 A D T 3 S+ 0 0 143 1,-0.3 -1,-0.0 -2,-0.2 51,-0.0 0.888 123.4 38.8 -56.5 -42.6 -4.5 -43.8 60.6 40 43 A N T 3 S+ 0 0 108 2,-0.1 -1,-0.3 49,-0.0 50,-0.2 0.382 85.8 129.8 -91.3 7.7 -6.6 -46.3 58.7 41 44 A T < - 0 0 5 -3,-1.3 2,-0.2 1,-0.1 50,-0.1 -0.376 54.2-129.0 -65.2 136.8 -4.4 -46.2 55.5 42 45 A Q + 0 0 91 -2,-0.1 30,-0.3 2,-0.1 2,-0.1 -0.525 56.6 40.1 -86.9 152.5 -3.4 -49.5 54.2 43 46 A G S S- 0 0 30 -2,-0.2 2,-0.5 28,-0.1 30,-0.0 -0.442 91.0 -39.0 111.7 174.5 0.1 -50.7 53.3 44 47 A Q - 0 0 82 68,-0.3 68,-2.2 -2,-0.1 2,-0.2 -0.688 56.3-130.4 -83.1 126.8 3.6 -50.6 54.4 45 48 A R E +B 111 0A 107 -2,-0.5 138,-0.4 66,-0.2 2,-0.3 -0.501 34.1 172.9 -71.3 136.8 4.6 -47.2 55.7 46 49 A I E -B 110 0A 7 64,-2.3 64,-2.4 -2,-0.2 2,-0.4 -0.957 27.5-135.3-141.5 158.6 7.8 -45.9 54.1 47 50 A R E -Bc 109 184A 63 136,-2.0 138,-2.9 -2,-0.3 2,-0.5 -0.965 16.2-158.6-115.8 133.2 9.7 -42.6 54.3 48 51 A L E +Bc 108 185A 0 60,-2.6 60,-2.2 -2,-0.4 2,-0.3 -0.957 25.6 156.0-113.1 128.1 11.0 -41.1 51.0 49 52 A E E +Bc 107 186A 4 136,-2.4 138,-2.9 -2,-0.5 2,-0.3 -0.997 3.9 118.2-151.6 160.0 13.8 -38.6 51.3 50 53 A G E -B 106 0A 0 56,-1.7 56,-2.0 -2,-0.3 2,-0.3 -0.956 45.5 -93.3 175.9-161.2 16.7 -37.0 49.5 51 54 A Q - 0 0 30 -2,-0.3 138,-2.7 54,-0.2 2,-0.5 -0.946 22.7-129.8-139.1 160.8 18.1 -33.8 48.2 52 55 A V E -e 189 0B 0 52,-0.5 8,-2.5 8,-0.4 2,-0.3 -0.966 26.6-159.4-114.5 129.0 18.0 -32.0 44.8 53 56 A F E -eF 190 59B 28 136,-2.7 138,-2.6 -2,-0.5 139,-0.4 -0.883 4.7-146.2-113.2 144.0 21.4 -30.9 43.3 54 57 A D > - 0 0 18 4,-2.5 3,-1.8 -2,-0.3 177,-0.2 -0.182 47.3 -77.3 -91.7-175.7 22.2 -28.2 40.7 55 58 A G T 3 S+ 0 0 28 175,-2.2 139,-0.1 1,-0.3 176,-0.1 0.618 130.8 54.4 -62.9 -15.8 25.1 -28.3 38.2 56 59 A L T 3 S- 0 0 122 2,-0.2 -1,-0.3 174,-0.1 137,-0.0 0.410 119.5-108.7 -95.1 -0.1 27.7 -27.3 40.8 57 60 A G S < S+ 0 0 46 -3,-1.8 -2,-0.1 1,-0.3 136,-0.0 0.684 76.7 136.7 82.6 16.9 26.6 -30.2 43.0 58 61 A L - 0 0 101 1,-0.0 -4,-2.5 0, 0.0 -1,-0.3 -0.774 57.8-111.7 -97.1 142.1 25.1 -27.9 45.4 59 62 A P B -F 53 0B 38 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.420 24.7-120.3 -74.3 145.9 21.6 -28.6 46.9 60 63 A L - 0 0 0 -8,-2.5 -8,-0.4 44,-0.2 3,-0.3 -0.773 24.9-173.6 -81.3 124.8 18.6 -26.4 46.0 61 64 A R S S+ 0 0 147 -2,-0.5 43,-0.1 1,-0.1 -1,-0.1 0.351 80.0 51.7-102.1 7.2 17.3 -25.0 49.2 62 65 A D S S+ 0 0 12 73,-0.1 73,-0.3 36,-0.1 -48,-0.2 0.107 79.0 126.3-126.8 25.8 14.2 -23.4 47.6 63 66 A V - 0 0 0 -3,-0.3 36,-1.6 71,-0.1 2,-0.4 -0.500 44.4-152.5 -88.3 150.0 12.8 -26.3 45.7 64 67 A L E -GH 98 133C 0 69,-2.7 69,-2.4 34,-0.2 2,-0.4 -0.988 15.1-167.5-120.5 131.5 9.2 -27.5 46.0 65 68 A I E -GH 97 132C 0 32,-2.8 32,-2.7 -2,-0.4 2,-0.3 -0.936 8.7-176.6-122.5 144.7 8.4 -31.2 45.4 66 69 A E E -GH 96 131C 0 65,-2.2 65,-2.3 -2,-0.4 2,-0.3 -0.982 6.8-161.3-135.1 149.3 5.1 -33.1 44.9 67 70 A I E -GH 95 130C 0 28,-1.6 28,-1.4 -2,-0.3 2,-0.4 -0.933 3.7-164.1-127.1 156.8 4.5 -36.8 44.4 68 71 A W E +GH 94 129C 0 61,-2.3 61,-2.7 -2,-0.3 2,-0.3 -0.996 24.2 158.2-140.0 127.2 1.4 -38.7 43.0 69 72 A Q - 0 0 0 24,-2.3 59,-0.1 -2,-0.4 2,-0.1 -0.969 36.7-106.8-150.7 165.9 1.0 -42.4 43.6 70 73 A A - 0 0 1 57,-0.4 6,-0.2 -2,-0.3 23,-0.1 -0.376 41.9-101.3 -86.6 169.3 -1.4 -45.3 43.8 71 74 A D > - 0 0 1 4,-2.7 43,-2.6 42,-0.1 3,-2.4 -0.112 51.9 -76.2 -79.4-171.8 -2.5 -47.1 46.9 72 75 A T T 3 S+ 0 0 38 -30,-0.3 43,-0.2 1,-0.3 -29,-0.1 0.748 134.1 46.9 -62.8 -22.5 -1.2 -50.4 48.3 73 76 A N T 3 S- 0 0 89 41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.214 121.1-104.8-101.8 11.8 -3.1 -52.4 45.6 74 77 A G S < S+ 0 0 0 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.849 77.2 132.8 69.2 37.7 -2.0 -50.1 42.8 75 78 A V - 0 0 2 41,-0.1 -4,-2.7 11,-0.1 -1,-0.3 -0.974 52.3-130.0-118.3 134.8 -5.3 -48.3 42.4 76 79 A Y - 0 0 4 -2,-0.4 2,-2.6 -6,-0.2 5,-0.2 -0.638 14.2-126.7 -85.6 137.3 -5.3 -44.5 42.1 77 80 A P S S+ 0 0 19 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.454 77.4 108.4 -80.3 68.8 -7.6 -42.3 44.2 78 81 A S S > S- 0 0 14 -2,-2.6 3,-2.3 172,-0.1 -2,-0.1 -0.989 77.4-129.4-151.1 139.4 -8.9 -40.7 41.1 79 82 A Q T 3 S+ 0 0 172 -2,-0.3 169,-0.1 1,-0.3 -1,-0.1 0.649 108.1 64.1 -60.8 -17.8 -12.1 -40.7 39.0 80 83 A A T 3 S+ 0 0 18 169,-0.2 2,-0.6 289,-0.2 -1,-0.3 0.464 73.3 106.8 -86.2 -5.2 -9.9 -41.3 35.9 81 84 A D < - 0 0 23 -3,-2.3 3,-0.3 -5,-0.2 -6,-0.0 -0.674 49.8-172.5 -76.6 125.0 -8.7 -44.7 37.2 82 85 A T + 0 0 94 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.162 51.0 108.5-104.6 15.9 -10.6 -47.2 35.1 83 86 A Q S S- 0 0 45 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.695 75.1-135.5 -68.9 -18.5 -9.6 -50.4 36.9 84 87 A G + 0 0 82 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.711 63.9 125.4 73.4 10.7 -13.0 -51.0 38.4 85 88 A K - 0 0 123 1,-0.0 2,-0.4 -4,-0.0 -1,-0.3 -0.788 68.7-108.1-104.7 153.1 -11.3 -51.8 41.7 86 88AA Q - 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