==== 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 2BV0 . 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) . 18989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 56.1 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 . 57 13.0 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 3 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 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 0 179 0, 0.0 2,-0.3 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 140.0 -8.3 -25.3 19.2 2 5 A L - 0 0 68 286,-2.4 2,-0.3 285,-0.1 288,-0.1 -0.680 360.0-119.7-100.9 155.9 -6.5 -23.4 21.9 3 6 A K - 0 0 82 -2,-0.3 424,-0.1 1,-0.1 -1,-0.0 -0.678 38.4-100.3 -91.2 143.6 -2.8 -23.5 22.9 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.345 45.8 -98.1 -56.4 141.0 -1.9 -24.6 26.5 5 8 A T - 0 0 4 422,-2.8 -1,-0.1 1,-0.1 424,-0.1 -0.442 51.5-105.6 -57.8 134.8 -1.1 -21.6 28.8 6 9 A P - 0 0 0 0, 0.0 211,-0.1 0, 0.0 -1,-0.1 -0.321 31.5-116.9 -68.4 142.5 2.7 -21.3 28.8 7 10 A S - 0 0 4 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.332 29.9-173.1 -72.4 153.6 4.6 -22.4 31.9 8 11 A Q - 0 0 2 368,-1.5 132,-0.2 129,-0.1 368,-0.1 -0.969 36.6 -85.4-140.7 154.9 6.7 -19.9 34.0 9 12 A T - 0 0 1 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.218 27.2-130.1 -54.9 151.4 9.0 -20.6 36.8 10 13 A G - 0 0 2 127,-0.6 3,-0.3 124,-0.5 125,-0.2 0.786 47.6-145.1 -72.1 -22.7 7.5 -20.9 40.3 11 14 A G > - 0 0 4 123,-0.4 3,-1.4 126,-0.2 124,-0.3 -0.019 32.9 -59.1 78.9 171.4 10.2 -18.4 41.5 12 15 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.622 131.5 52.1 -65.0 -16.4 12.0 -18.4 44.9 13 16 A Y T >> + 0 0 34 -3,-0.3 3,-3.0 1,-0.2 4,-0.8 0.177 60.1 135.4-108.8 18.6 8.9 -18.0 47.0 14 17 A V H <> S+ 0 0 0 -3,-1.4 4,-0.8 1,-0.3 -1,-0.2 0.496 70.1 63.0 -47.1 0.7 6.9 -20.9 45.6 15 18 A H H 3> S+ 0 0 9 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.652 81.7 70.4-105.5 -6.8 6.1 -21.6 49.3 16 19 A I H <4 S+ 0 0 0 -3,-3.0 -2,-0.2 1,-0.2 -1,-0.1 0.962 117.4 29.2 -67.0 -35.1 4.1 -18.5 50.3 17 20 A G H < S+ 0 0 2 -4,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.842 129.1 34.6 -98.1 -26.5 1.6 -19.9 48.1 18 21 A L H < S+ 0 0 4 -4,-0.8 -3,-0.2 -5,-0.3 14,-0.2 0.796 133.4 17.7-102.1 -17.6 2.0 -23.5 48.1 19 22 A L >< + 0 0 7 -4,-1.3 3,-1.6 1,-0.1 5,-0.2 -0.404 68.6 160.1-141.1 58.7 3.1 -24.2 51.8 20 23 A P G > > + 0 0 6 0, 0.0 3,-2.8 0, 0.0 5,-2.6 0.846 68.5 65.6 -52.0 -42.9 2.1 -21.0 53.7 21 24 A K G > 5S+ 0 0 106 1,-0.3 3,-0.6 3,-0.2 5,-0.1 0.795 104.0 47.8 -50.0 -29.9 2.1 -22.7 57.1 22 25 A Q G < 5S+ 0 0 113 -3,-1.6 -1,-0.3 1,-0.2 -6,-0.1 0.178 105.7 54.2-101.8 17.6 5.8 -23.2 56.7 23 26 A A G < 5S- 0 0 8 -3,-2.8 -1,-0.2 -8,-0.1 -2,-0.2 0.035 125.4-109.1-123.7 10.4 6.5 -19.7 55.6 24 27 A N T < 5S+ 0 0 122 -3,-0.6 2,-0.6 -5,-0.2 -3,-0.2 0.841 75.0 139.5 62.2 40.3 4.7 -19.0 58.9 25 28 A I < - 0 0 0 -5,-2.6 2,-1.5 -6,-0.1 3,-0.4 -0.925 36.7-162.7-116.0 105.9 1.5 -17.6 57.2 26 29 A E + 0 0 113 -2,-0.6 3,-0.1 1,-0.2 -5,-0.0 -0.572 45.3 123.2 -89.4 77.0 -1.6 -18.8 59.0 27 30 A V + 0 0 20 -2,-1.5 2,-0.4 1,-0.1 -1,-0.2 0.734 60.9 59.1-103.3 -27.3 -4.3 -18.2 56.4 28 31 A F - 0 0 16 -3,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.857 56.9-156.0-109.3 143.7 -5.9 -21.6 56.0 29 32 A E S S+ 0 0 162 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.939 92.8 45.2 -76.6 -46.9 -7.5 -23.9 58.6 30 33 A H S S- 0 0 93 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.834 78.6-168.2-101.5 121.3 -6.7 -27.0 56.5 31 34 A N - 0 0 41 -2,-0.6 2,-0.2 -3,-0.1 -12,-0.1 -0.917 18.0-129.2-113.5 138.7 -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 -0.583 41.7 157.5 -81.6 143.2 -1.8 -29.5 52.5 33 36 A D - 0 0 70 -2,-0.2 63,-1.5 61,-0.2 64,-0.1 -0.723 51.6 -79.8-150.9-163.0 1.3 -31.3 53.4 34 37 A N S S+ 0 0 33 61,-0.3 75,-2.3 -2,-0.2 2,-0.7 0.126 88.2 98.4 -98.4 15.4 3.8 -34.2 53.0 35 38 A N B +a 109 0A 77 73,-0.2 -2,-0.2 1,-0.1 75,-0.2 -0.893 35.4 166.7-109.7 105.9 2.0 -36.8 55.0 36 39 A L + 0 0 5 73,-2.6 2,-0.5 -2,-0.7 56,-0.3 0.435 51.1 96.2 -94.7 -1.4 -0.1 -39.2 52.9 37 40 A V - 0 0 26 72,-0.5 2,-0.3 54,-0.1 54,-0.1 -0.808 50.4-176.3 -96.5 119.6 -0.7 -41.7 55.7 38 41 A Q > - 0 0 84 52,-0.5 3,-1.7 -2,-0.5 52,-0.1 -0.700 45.3 -95.9-102.3 166.1 -3.9 -41.4 57.6 39 42 A D T 3 S+ 0 0 143 1,-0.3 -1,-0.0 -2,-0.3 51,-0.0 0.855 123.4 37.0 -54.3 -39.0 -4.6 -43.7 60.6 40 43 A N T 3 S+ 0 0 108 2,-0.1 -1,-0.3 50,-0.0 50,-0.2 0.321 84.6 132.5 -96.5 9.8 -6.6 -46.3 58.6 41 44 A T < - 0 0 4 -3,-1.7 2,-0.2 1,-0.1 50,-0.1 -0.368 54.0-128.5 -62.4 135.6 -4.5 -46.1 55.4 42 45 A Q + 0 0 92 2,-0.1 30,-0.3 69,-0.0 2,-0.1 -0.552 57.9 39.2 -87.4 152.5 -3.6 -49.5 54.2 43 46 A G S S- 0 0 30 -2,-0.2 2,-0.6 28,-0.1 30,-0.0 -0.402 91.2 -38.1 112.6 176.3 -0.1 -50.7 53.3 44 47 A Q - 0 0 85 68,-0.3 68,-2.2 -2,-0.1 2,-0.2 -0.694 56.0-129.5 -87.1 125.5 3.5 -50.5 54.4 45 48 A R E +B 111 0A 110 -2,-0.6 138,-0.5 66,-0.2 2,-0.3 -0.443 33.7 172.9 -66.9 134.3 4.6 -47.2 55.7 46 49 A I E -B 110 0A 6 64,-2.8 64,-2.5 -2,-0.2 2,-0.5 -0.957 27.6-134.7-140.8 156.1 7.8 -45.8 54.1 47 50 A R E -Bc 109 184A 66 136,-2.3 138,-3.0 -2,-0.3 2,-0.5 -0.960 16.0-159.3-111.2 133.7 9.6 -42.6 54.3 48 51 A L E +Bc 108 185A 0 60,-2.6 60,-1.9 -2,-0.5 2,-0.3 -0.960 25.4 158.2-110.9 124.6 10.9 -41.1 51.0 49 52 A E E +Bc 107 186A 36 136,-2.5 138,-3.0 -2,-0.5 2,-0.3 -0.984 4.1 119.3-146.6 161.4 13.7 -38.5 51.3 50 53 A G E -B 106 0A 0 56,-1.7 56,-2.4 -2,-0.3 2,-0.3 -0.979 44.8 -96.8 173.2-165.5 16.5 -36.9 49.5 51 54 A Q - 0 0 31 -2,-0.3 138,-2.7 54,-0.2 2,-0.5 -0.935 22.2-130.4-137.4 162.4 18.0 -33.6 48.2 52 55 A V E -e 189 0B 0 52,-0.4 8,-2.6 8,-0.4 2,-0.3 -0.968 26.3-159.1-116.3 126.3 17.9 -31.8 44.9 53 56 A F E -eF 190 59B 29 136,-2.8 138,-2.2 -2,-0.5 139,-0.4 -0.870 6.9-141.4-110.6 140.1 21.3 -30.6 43.5 54 57 A D > - 0 0 16 4,-2.6 3,-1.6 -2,-0.3 177,-0.2 -0.178 47.4 -79.6 -83.1-171.8 22.1 -27.9 40.9 55 58 A G T 3 S+ 0 0 26 175,-1.9 139,-0.2 1,-0.3 176,-0.1 0.531 131.6 50.1 -69.7 -10.6 24.8 -28.3 38.2 56 59 A L T 3 S- 0 0 139 2,-0.2 -1,-0.3 174,-0.1 137,-0.1 0.320 122.1-103.5-104.6 -0.8 27.6 -27.4 40.7 57 60 A G S < S+ 0 0 47 -3,-1.6 -2,-0.1 1,-0.3 136,-0.0 0.653 74.8 138.5 91.0 15.5 26.4 -29.9 43.3 58 61 A L - 0 0 93 1,-0.0 -4,-2.6 0, 0.0 -1,-0.3 -0.778 55.8-117.4 -95.4 135.1 24.8 -27.5 45.6 59 62 A P B -F 53 0B 28 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.401 25.2-121.3 -69.5 147.6 21.4 -28.6 47.1 60 63 A L - 0 0 0 -8,-2.6 -8,-0.4 44,-0.2 3,-0.2 -0.794 25.4-174.5 -85.6 128.8 18.5 -26.3 46.2 61 64 A R S S+ 0 0 126 -2,-0.5 43,-0.1 1,-0.1 -1,-0.1 0.342 80.5 56.6-105.2 5.2 17.0 -24.9 49.4 62 65 A D S S+ 0 0 23 73,-0.1 73,-0.2 36,-0.1 -48,-0.2 0.183 78.5 126.2-116.9 17.1 14.1 -23.2 47.6 63 66 A V - 0 0 0 -3,-0.2 36,-1.1 71,-0.1 2,-0.4 -0.435 44.7-153.3 -84.6 148.7 12.6 -26.3 45.8 64 67 A L E -GH 98 133C 0 69,-2.7 69,-2.3 34,-0.2 2,-0.4 -0.980 16.6-171.3-116.1 129.6 8.9 -27.4 45.9 65 68 A I E -GH 97 132C 0 32,-3.1 32,-2.9 -2,-0.4 2,-0.3 -0.949 8.9-177.1-125.5 142.0 8.2 -31.1 45.3 66 69 A E E -GH 96 131C 0 65,-2.2 65,-2.4 -2,-0.4 2,-0.3 -0.972 7.8-159.4-130.9 152.8 4.9 -33.0 44.9 67 70 A I E -GH 95 130C 0 28,-1.7 28,-1.4 -2,-0.3 2,-0.4 -0.924 3.0-165.5-128.7 155.7 4.4 -36.7 44.4 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.5 -2,-0.3 2,-0.3 -0.990 23.9 153.7-140.0 129.5 1.4 -38.7 43.0 69 72 A Q - 0 0 0 24,-1.9 59,-0.1 -2,-0.4 2,-0.1 -0.974 38.5-102.8-156.8 166.8 1.0 -42.4 43.5 70 73 A A - 0 0 0 57,-0.4 6,-0.2 -2,-0.3 23,-0.1 -0.353 42.0-102.4 -86.9 168.8 -1.4 -45.4 43.7 71 74 A D > - 0 0 0 4,-2.7 43,-2.5 42,-0.1 3,-2.1 -0.080 51.7 -75.6 -80.3-169.4 -2.6 -47.1 46.9 72 75 A T T 3 S+ 0 0 39 -30,-0.3 43,-0.2 1,-0.3 -1,-0.1 0.776 133.0 47.6 -61.5 -24.9 -1.3 -50.4 48.2 73 76 A N T 3 S- 0 0 92 41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.286 121.6-102.2 -99.1 9.5 -3.2 -52.4 45.6 74 77 A G S < S+ 0 0 0 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.808 78.6 133.3 76.9 27.9 -2.1 -50.2 42.7 75 78 A V - 0 0 2 41,-0.1 -4,-2.7 11,-0.1 -1,-0.3 -0.946 51.4-131.5-112.0 134.2 -5.3 -48.3 42.4 76 79 A Y - 0 0 3 -2,-0.4 2,-2.3 -6,-0.2 5,-0.2 -0.646 14.0-129.0 -84.7 138.6 -5.3 -44.5 42.0 77 80 A P S S+ 0 0 18 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.467 76.2 108.2 -82.8 68.4 -7.7 -42.4 44.2 78 81 A S S > S- 0 0 15 -2,-2.3 3,-2.1 172,-0.1 -2,-0.1 -0.995 76.7-130.3-146.2 141.7 -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 0.687 109.2 65.5 -62.0 -20.7 -12.2 -40.8 39.0 80 83 A A T 3 S+ 0 0 19 169,-0.3 2,-0.5 289,-0.2 -1,-0.3 0.481 74.0 105.0 -82.2 -2.7 -10.0 -41.3 36.0 81 84 A D < - 0 0 23 -3,-2.1 3,-0.3 -5,-0.2 -6,-0.0 -0.695 49.3-173.6 -80.3 127.0 -8.8 -44.7 37.2 82 85 A T + 0 0 92 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.098 50.2 108.1-108.4 19.3 -10.6 -47.3 35.2 83 86 A Q S S- 0 0 42 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.695 75.1-135.8 -74.4 -16.4 -9.5 -50.5 36.8 84 87 A G + 0 0 83 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.756 65.5 121.7 73.5 12.3 -12.9 -51.1 38.3 85 88 A K S S- 0 0 126 -4,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.770 70.8-104.8-103.6 157.4 -11.3 -52.0 41.6 86 88AA Q - 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