==== 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 2BUZ . 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) . 19014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 55.5 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 . 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 . 56 12.7 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 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 . 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 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 0 180 0, 0.0 2,-0.3 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 148.0 -8.2 -25.3 19.2 2 5 A L - 0 0 68 286,-2.4 2,-0.3 285,-0.1 288,-0.0 -0.710 360.0-122.6-103.7 156.7 -6.4 -23.5 22.0 3 6 A K - 0 0 82 -2,-0.3 424,-0.1 1,-0.1 426,-0.0 -0.705 38.7-101.0 -93.1 142.3 -2.7 -23.5 23.0 4 7 A E - 0 0 9 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.368 45.8 -97.0 -56.8 143.1 -1.8 -24.6 26.6 5 8 A T - 0 0 4 422,-2.5 -1,-0.1 1,-0.1 2,-0.1 -0.401 51.7-106.4 -57.6 132.9 -1.1 -21.6 28.9 6 9 A P - 0 0 0 0, 0.0 372,-0.3 0, 0.0 211,-0.1 -0.358 31.2-117.9 -68.5 144.0 2.7 -21.3 28.9 7 10 A S - 0 0 4 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.339 29.5-174.2 -74.6 155.7 4.6 -22.4 31.9 8 11 A Q - 0 0 2 368,-1.5 132,-0.2 209,-0.1 368,-0.1 -0.961 37.1 -83.1-143.4 158.9 6.7 -19.9 34.0 9 12 A T - 0 0 0 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.229 27.8-130.9 -59.5 150.2 9.1 -20.6 37.0 10 13 A G - 0 0 2 127,-0.5 3,-0.3 124,-0.5 125,-0.2 0.735 48.0-142.7 -72.0 -19.9 7.5 -20.9 40.4 11 14 A G > - 0 0 5 123,-0.4 3,-1.3 126,-0.3 124,-0.3 -0.011 31.3 -62.6 80.7 171.0 10.2 -18.4 41.6 12 15 A P T 3 S+ 0 0 41 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.645 130.9 53.7 -70.5 -15.3 12.1 -18.4 44.9 13 16 A Y T >> + 0 0 39 -3,-0.3 3,-3.1 1,-0.2 4,-0.8 0.257 63.3 130.9-103.8 16.6 8.9 -17.8 47.1 14 17 A V H <> + 0 0 0 -3,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.667 67.8 62.1 -45.8 -13.5 6.9 -20.7 45.7 15 18 A H H 3> S+ 0 0 8 -3,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.690 86.5 69.5 -91.7 -5.4 6.1 -21.8 49.4 16 19 A I H <4 S+ 0 0 0 -3,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.983 115.8 29.5 -68.4 -41.0 4.2 -18.6 50.4 17 20 A G H < S+ 0 0 2 -4,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.895 131.0 33.8 -88.0 -34.7 1.7 -19.8 48.1 18 21 A L H < S+ 0 0 4 -4,-2.0 -3,-0.2 1,-0.2 14,-0.2 0.783 133.4 18.4 -97.4 -20.0 2.0 -23.5 48.2 19 22 A L >< + 0 0 5 -4,-1.4 3,-1.7 -5,-0.2 -1,-0.2 -0.423 67.3 160.7-139.5 59.7 3.1 -24.2 51.9 20 23 A P G > > + 0 0 5 0, 0.0 3,-3.0 0, 0.0 5,-2.5 0.854 69.9 66.3 -50.7 -43.6 2.1 -21.0 53.8 21 24 A K G > 5S+ 0 0 107 1,-0.3 3,-0.6 3,-0.2 5,-0.1 0.781 102.9 48.6 -45.1 -36.5 2.1 -22.8 57.1 22 25 A Q G < 5S+ 0 0 105 -3,-1.7 -1,-0.3 1,-0.2 -6,-0.1 0.242 106.0 53.8 -91.7 5.5 5.9 -23.2 56.7 23 26 A A G < 5S- 0 0 7 -3,-3.0 -1,-0.2 -8,-0.2 -2,-0.2 0.102 124.1-106.2-119.3 13.3 6.5 -19.6 55.8 24 27 A N T < 5S+ 0 0 130 -3,-0.6 2,-0.6 1,-0.2 -3,-0.2 0.800 77.5 136.2 68.1 31.7 4.7 -18.8 59.0 25 28 A I < - 0 0 0 -5,-2.5 2,-1.3 -6,-0.1 3,-0.4 -0.922 35.3-167.6-113.8 108.5 1.5 -17.6 57.3 26 29 A E + 0 0 145 -2,-0.6 3,-0.1 1,-0.2 -5,-0.0 -0.639 42.1 125.4 -99.4 82.3 -1.5 -18.9 59.0 27 30 A V + 0 0 19 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.670 60.8 59.4-107.6 -23.9 -4.3 -18.1 56.6 28 31 A F - 0 0 18 -3,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.862 58.6-154.1-112.2 147.6 -5.9 -21.5 56.1 29 32 A E S S+ 0 0 171 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.925 92.8 44.6 -80.5 -45.8 -7.5 -23.9 58.6 30 33 A H S S- 0 0 98 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.864 78.6-168.8-102.7 120.0 -6.7 -27.0 56.6 31 34 A N - 0 0 44 -2,-0.6 2,-0.3 -3,-0.1 -12,-0.1 -0.881 18.7-127.4-113.5 138.6 -3.2 -27.1 55.1 32 35 A L + 0 0 36 -2,-0.4 2,-0.2 -14,-0.2 63,-0.1 -0.593 41.8 158.5 -80.3 143.5 -1.8 -29.5 52.5 33 36 A D - 0 0 75 -2,-0.3 63,-1.5 2,-0.2 64,-0.1 -0.736 50.6 -81.5-150.2-164.5 1.4 -31.3 53.5 34 37 A N S S+ 0 0 33 61,-0.3 75,-2.2 -2,-0.2 2,-0.6 0.097 87.4 97.7 -98.0 19.1 3.8 -34.2 53.0 35 38 A N B +a 109 0A 75 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.902 36.4 168.2-113.1 108.2 2.1 -36.8 55.1 36 39 A L + 0 0 5 73,-3.0 2,-0.6 -2,-0.6 56,-0.4 0.484 50.9 96.0 -94.6 -5.2 -0.0 -39.2 53.0 37 40 A V - 0 0 25 72,-0.5 2,-0.2 54,-0.1 54,-0.1 -0.806 50.7-175.3 -93.4 120.1 -0.6 -41.7 55.8 38 41 A Q > - 0 0 86 -2,-0.6 3,-1.5 52,-0.5 52,-0.1 -0.631 45.0 -96.1-100.9 168.1 -3.9 -41.4 57.7 39 42 A D T 3 S+ 0 0 157 1,-0.3 -2,-0.0 -2,-0.2 51,-0.0 0.809 123.4 38.1 -61.5 -27.8 -4.5 -43.7 60.6 40 43 A N T 3 S+ 0 0 123 50,-0.1 -1,-0.3 2,-0.1 50,-0.2 0.316 84.3 131.0-103.9 8.9 -6.5 -46.2 58.7 41 44 A T < - 0 0 4 -3,-1.5 2,-0.2 49,-0.1 50,-0.1 -0.372 53.7-129.9 -64.8 134.8 -4.5 -46.1 55.5 42 45 A Q + 0 0 92 -2,-0.1 30,-0.3 2,-0.1 2,-0.1 -0.565 57.8 47.5 -87.2 152.4 -3.5 -49.5 54.3 43 46 A G S S- 0 0 28 -2,-0.2 2,-0.5 28,-0.1 30,-0.0 -0.389 90.2 -46.1 115.8 170.0 -0.0 -50.6 53.3 44 47 A Q - 0 0 85 68,-0.3 68,-2.1 -2,-0.1 2,-0.1 -0.661 56.6-126.3 -84.2 125.9 3.5 -50.6 54.5 45 48 A R E +B 111 0A 109 -2,-0.5 138,-0.4 66,-0.2 2,-0.3 -0.405 35.1 172.9 -66.6 135.8 4.6 -47.2 55.8 46 49 A I E -B 110 0A 7 64,-2.7 64,-2.3 -2,-0.1 2,-0.5 -0.969 27.0-135.3-142.8 156.5 7.8 -45.8 54.2 47 50 A R E -Bc 109 184A 70 136,-2.2 138,-3.2 -2,-0.3 2,-0.5 -0.970 16.0-159.9-114.1 131.4 9.7 -42.6 54.4 48 51 A L E +Bc 108 185A 0 60,-2.4 60,-1.9 -2,-0.5 2,-0.3 -0.946 25.1 155.3-110.5 124.7 10.9 -41.0 51.1 49 52 A E E +Bc 107 186A 34 136,-2.3 138,-3.1 -2,-0.5 2,-0.3 -0.976 3.6 120.1-148.4 163.4 13.7 -38.5 51.4 50 53 A G E -B 106 0A 0 56,-1.6 56,-2.4 -2,-0.3 2,-0.3 -0.975 44.8 -95.0 173.7-163.9 16.6 -36.9 49.6 51 54 A Q - 0 0 31 -2,-0.3 138,-2.7 54,-0.2 2,-0.5 -0.922 22.6-131.1-138.7 160.8 18.1 -33.6 48.3 52 55 A V E -e 189 0B 0 52,-0.4 8,-2.8 8,-0.3 2,-0.3 -0.971 25.9-159.8-115.4 129.3 18.0 -31.8 45.0 53 56 A F E -eF 190 59B 29 136,-2.7 138,-2.2 -2,-0.5 139,-0.4 -0.867 7.6-140.2-113.6 145.5 21.3 -30.6 43.6 54 57 A D > - 0 0 16 4,-2.6 3,-1.9 -2,-0.3 177,-0.2 -0.201 48.4 -78.4 -89.3-174.8 22.1 -28.0 41.0 55 58 A G T 3 S+ 0 0 25 175,-2.2 139,-0.2 1,-0.3 176,-0.1 0.586 131.6 48.6 -63.0 -15.0 24.9 -28.3 38.3 56 59 A L T 3 S- 0 0 139 174,-0.2 -1,-0.3 2,-0.2 137,-0.1 0.323 121.0-102.8-106.1 3.2 27.6 -27.5 40.8 57 60 A G S < S+ 0 0 46 -3,-1.9 -2,-0.1 1,-0.3 136,-0.0 0.578 75.2 139.0 91.8 7.5 26.4 -29.9 43.4 58 61 A L - 0 0 92 1,-0.0 -4,-2.6 -5,-0.0 -1,-0.3 -0.706 55.3-119.6 -86.8 134.6 24.8 -27.4 45.7 59 62 A P B -F 53 0B 29 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.502 24.2-119.6 -74.0 143.9 21.5 -28.5 47.2 60 63 A L - 0 0 1 -8,-2.8 -8,-0.3 44,-0.2 3,-0.3 -0.716 26.8-176.7 -81.7 125.1 18.5 -26.3 46.3 61 64 A R S S+ 0 0 121 -2,-0.5 -1,-0.1 1,-0.2 43,-0.1 0.404 79.4 56.6-103.3 3.9 17.0 -24.9 49.4 62 65 A D S S+ 0 0 27 73,-0.1 73,-0.2 36,-0.1 -48,-0.2 0.195 78.5 128.2-115.0 18.2 14.1 -23.2 47.6 63 66 A V - 0 0 0 -3,-0.3 36,-1.1 71,-0.1 2,-0.4 -0.386 43.3-155.4 -80.4 147.5 12.7 -26.3 45.9 64 67 A L E -GH 98 133C 0 69,-2.6 69,-2.5 34,-0.2 2,-0.4 -0.989 16.1-172.3-119.3 128.8 9.0 -27.4 46.0 65 68 A I E -GH 97 132C 0 32,-3.1 32,-2.7 -2,-0.4 2,-0.3 -0.968 9.1-177.1-125.7 138.5 8.2 -31.1 45.4 66 69 A E E -GH 96 131C 0 65,-2.0 65,-2.5 -2,-0.4 2,-0.3 -0.965 8.0-159.5-128.4 152.2 5.0 -33.0 44.9 67 70 A I E -GH 95 130C 0 28,-1.6 28,-1.4 -2,-0.3 2,-0.4 -0.929 3.1-165.3-128.5 154.5 4.4 -36.7 44.5 68 71 A W E +GH 94 129C 0 61,-2.3 61,-2.8 -2,-0.3 2,-0.3 -0.990 23.9 156.0-139.2 127.0 1.4 -38.6 43.0 69 72 A Q - 0 0 0 24,-1.9 59,-0.1 -2,-0.4 2,-0.1 -0.976 38.5-103.0-153.2 167.1 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 -0.360 42.3-104.0 -85.2 167.0 -1.4 -45.4 43.7 71 74 A D > - 0 0 0 4,-3.0 43,-2.6 42,-0.1 3,-1.9 -0.001 53.2 -73.5 -79.5-167.2 -2.6 -47.0 46.9 72 75 A T T 3 S+ 0 0 40 -30,-0.3 43,-0.2 1,-0.3 -29,-0.1 0.770 133.6 46.8 -63.0 -23.2 -1.3 -50.3 48.3 73 76 A N T 3 S- 0 0 89 41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.255 122.3-100.4-101.2 10.0 -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 0.818 79.2 133.9 78.5 28.7 -2.1 -50.2 42.7 75 78 A V - 0 0 3 41,-0.1 -4,-3.0 11,-0.1 -1,-0.3 -0.943 50.8-132.6-114.3 134.0 -5.3 -48.3 42.5 76 79 A Y - 0 0 3 -2,-0.4 2,-2.5 -6,-0.2 5,-0.2 -0.678 15.1-128.2 -85.0 136.8 -5.3 -44.5 42.1 77 80 A P S S+ 0 0 18 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.471 76.5 107.9 -80.8 69.3 -7.6 -42.4 44.3 78 81 A S S > S- 0 0 14 -2,-2.5 3,-2.1 172,-0.1 -2,-0.1 -0.994 77.7-129.5-148.2 140.7 -9.0 -40.7 41.1 79 82 A Q T 3 S+ 0 0 168 -2,-0.3 -1,-0.1 1,-0.3 169,-0.1 0.688 108.4 65.2 -60.9 -18.5 -12.1 -40.8 39.1 80 83 A A T 3 S+ 0 0 19 169,-0.2 2,-0.5 289,-0.2 -1,-0.3 0.517 74.1 106.3 -82.7 -4.7 -9.9 -41.3 36.0 81 84 A D < - 0 0 24 -3,-2.1 3,-0.3 -5,-0.2 -6,-0.0 -0.655 49.1-174.0 -77.4 126.1 -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 0.082 49.9 108.8-108.3 22.0 -10.5 -47.3 35.2 83 86 A Q S S- 0 0 43 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.705 75.7-134.7 -74.0 -17.2 -9.5 -50.5 36.9 84 87 A G + 0 0 83 -3,-0.3 2,-0.3 1,-0.3 -2,-0.1 0.785 65.7 124.6 71.4 18.9 -12.9 -51.1 38.4 85 88 A K - 0 0 126 -4,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.835 68.6-108.9-110.8 152.3 -11.2 -51.9 41.7 86 88AA Q - 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