==== 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 LYASE 01-JUN-07 2Q5L . COMPND 2 MOLECULE: PHENYLPYRUVATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOSPIRILLUM BRASILENSE; . AUTHOR W.VERSEES,S.SPAEPEN,M.D.WOOD,F.J.LEEPER,J.VANDERLEYDEN,J.STE . 1073 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 2 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 . 99 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 5 3 4 4 2 3 6 5 0 4 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 7 3 8 4 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 -5 A V 0 0 164 0, 0.0 173,-0.1 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 121.0 -24.7 -32.9 58.3 2 -4 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 171,-0.3 -0.219 360.0 167.1 -61.9 146.0 -27.6 -30.5 59.0 3 -3 A R + 0 0 103 169,-0.1 169,-0.0 3,-0.0 172,-0.0 -0.957 50.1 33.9-158.8 139.7 -31.1 -31.7 59.8 4 -2 A G S S+ 0 0 41 -2,-0.3 170,-0.0 171,-0.0 171,-0.0 0.209 73.2 107.1 103.3 -16.9 -34.2 -30.0 61.2 5 -1 A S S S- 0 0 43 2,-0.1 3,-0.1 1,-0.1 170,-0.0 0.768 70.2-145.5 -66.3 -24.0 -34.1 -26.5 59.8 6 0 A H + 0 0 160 1,-0.2 2,-0.5 169,-0.0 -1,-0.1 0.795 60.9 121.2 62.2 28.0 -36.9 -27.5 57.4 7 1 A M - 0 0 31 167,-0.2 167,-2.4 164,-0.0 -1,-0.2 -0.935 59.3-138.8-128.2 108.9 -35.2 -25.2 54.9 8 2 A K B > -A 173 0A 82 -2,-0.5 4,-2.6 165,-0.2 165,-0.2 -0.271 21.8-120.4 -61.8 148.5 -34.1 -26.6 51.5 9 3 A L H > S+ 0 0 0 163,-1.4 4,-2.0 160,-0.4 162,-0.2 0.935 115.0 51.1 -55.7 -46.4 -30.7 -25.4 50.2 10 4 A A H > S+ 0 0 0 160,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.889 110.4 49.1 -59.7 -40.2 -32.4 -24.0 47.1 11 5 A E H > S+ 0 0 33 159,-0.4 4,-2.6 1,-0.2 5,-0.2 0.906 107.6 53.8 -67.6 -40.3 -34.9 -22.1 49.2 12 6 A A H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 165,-0.2 0.876 111.2 47.5 -60.8 -36.2 -32.2 -20.7 51.4 13 7 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 110.0 49.8 -71.1 -47.9 -30.5 -19.3 48.3 14 8 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 114.4 46.5 -57.9 -42.3 -33.7 -17.8 46.8 15 9 A R H X S+ 0 0 99 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.868 109.7 53.3 -67.6 -37.1 -34.4 -16.1 50.1 16 10 A A H X S+ 0 0 1 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.879 110.9 47.6 -64.3 -37.8 -30.8 -14.9 50.5 17 11 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 3,-0.8 0.944 112.4 47.9 -67.3 -46.8 -31.1 -13.4 47.0 18 12 A K H ><5S+ 0 0 116 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.899 106.0 58.9 -60.9 -40.5 -34.5 -11.8 47.8 19 13 A D H 3<5S+ 0 0 121 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.799 106.8 49.2 -57.4 -30.3 -33.0 -10.4 51.1 20 14 A R T <<5S- 0 0 22 -4,-0.9 51,-0.4 -3,-0.8 -1,-0.3 0.289 130.3 -90.2 -95.3 9.3 -30.4 -8.6 49.0 21 15 A G T < 5 + 0 0 32 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.299 67.9 155.3 105.9 -12.0 -32.9 -7.0 46.6 22 16 A A < - 0 0 7 -5,-2.0 -1,-0.3 1,-0.1 50,-0.1 -0.218 20.9-170.3 -52.2 137.9 -33.3 -9.6 43.7 23 17 A Q - 0 0 85 48,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.505 59.5 -6.2-111.6 -7.7 -36.6 -9.1 42.0 24 18 A A - 0 0 6 22,-0.2 2,-0.4 37,-0.1 -1,-0.3 -0.981 57.5-123.6-171.7 170.4 -36.8 -12.1 39.8 25 19 A M E -b 48 0B 1 22,-2.7 24,-2.6 -2,-0.3 2,-0.3 -0.983 20.9-161.9-133.0 122.6 -35.0 -15.1 38.4 26 20 A F E +bc 49 74B 1 47,-2.7 49,-3.2 -2,-0.4 2,-0.3 -0.751 29.3 131.3 -99.1 149.8 -34.5 -15.6 34.7 27 21 A G E -bc 50 75B 0 22,-1.7 24,-1.0 -2,-0.3 49,-0.2 -0.991 49.2-129.6 179.2 171.8 -33.6 -19.0 33.4 28 22 A I - 0 0 5 47,-1.7 49,-0.2 -2,-0.3 24,-0.1 -0.976 36.4-138.7-138.4 123.0 -33.9 -22.0 31.1 29 23 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.157 20.8 178.1 -78.6 177.1 -34.1 -25.5 32.8 30 24 A G >> - 0 0 8 46,-0.2 4,-1.3 1,-0.1 3,-0.9 -0.938 50.5 -80.1-166.2 169.2 -32.4 -28.8 31.9 31 25 A D G >4 S+ 0 0 71 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.906 129.1 46.4 -50.4 -47.8 -32.3 -32.3 33.4 32 26 A F G 34 S+ 0 0 45 1,-0.2 73,-0.6 46,-0.1 -1,-0.3 0.777 117.8 44.1 -66.8 -24.2 -29.7 -31.4 36.0 33 27 A A G <> S+ 0 0 1 -3,-0.9 4,-2.5 71,-0.2 3,-0.3 0.506 83.6 97.4 -97.9 -4.2 -31.5 -28.2 36.9 34 28 A L H S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.892 111.8 48.6 -61.1 -37.9 -35.1 -30.0 40.9 36 30 A F H > S+ 0 0 7 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.923 111.5 48.3 -67.5 -43.4 -33.9 -26.4 41.4 37 31 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.829 106.8 58.6 -66.4 -30.2 -36.5 -25.0 39.0 38 32 A K H X S+ 0 0 66 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.947 107.0 46.2 -62.9 -48.1 -39.1 -27.0 40.8 39 33 A V H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.905 113.2 50.3 -60.9 -42.6 -38.3 -25.3 44.1 40 34 A A H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.940 114.8 42.8 -62.0 -46.2 -38.3 -21.9 42.4 41 35 A E H < S+ 0 0 38 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 117.3 44.8 -67.8 -45.5 -41.7 -22.5 40.8 42 36 A E H < S+ 0 0 124 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.867 120.0 38.6 -68.5 -37.3 -43.4 -24.1 43.8 43 37 A T H < S- 0 0 45 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.749 83.0-156.2 -86.6 -24.7 -42.1 -21.6 46.4 44 38 A Q < + 0 0 113 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.816 40.0 147.2 52.3 32.8 -42.4 -18.5 44.3 45 39 A I S S+ 0 0 11 -5,-0.3 -1,-0.1 -6,-0.3 -5,-0.1 0.925 76.8 19.8 -62.5 -41.4 -39.7 -16.8 46.5 46 40 A L S S- 0 0 5 -6,-0.3 -1,-0.2 -21,-0.0 -22,-0.2 -0.980 100.5-101.4-126.7 136.4 -38.6 -15.0 43.3 47 41 A P - 0 0 57 0, 0.0 -22,-2.7 0, 0.0 2,-0.6 -0.382 40.0-137.1 -56.0 134.3 -40.8 -14.5 40.2 48 42 A L E +b 25 0B 30 -24,-0.2 2,-0.5 -8,-0.1 -22,-0.2 -0.877 25.0 178.8-103.4 118.8 -39.6 -17.1 37.7 49 43 A H E -b 26 0B 31 -24,-2.6 -22,-1.7 -2,-0.6 2,-0.2 -0.967 9.3-161.1-120.6 119.2 -39.3 -16.0 34.1 50 44 A T E -b 27 0B 16 -2,-0.5 2,-0.2 -24,-0.2 -22,-0.2 -0.621 6.5-165.8 -96.0 157.6 -38.0 -18.3 31.4 51 45 A L - 0 0 1 -24,-1.0 3,-0.1 -2,-0.2 389,-0.0 -0.706 29.0-109.5-129.4-178.3 -36.7 -17.2 28.0 52 46 A S S S+ 0 0 1 -2,-0.2 2,-0.3 1,-0.2 921,-0.1 0.887 94.4 21.0 -82.9 -43.6 -35.9 -19.0 24.7 53 47 A H S >> S- 0 0 6 919,-0.1 4,-1.1 920,-0.1 3,-1.0 -0.962 77.0-117.6-130.8 144.9 -32.1 -19.0 24.5 54 48 A E H 3> S+ 0 0 12 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.793 108.2 65.4 -54.5 -35.7 -29.5 -18.7 27.3 55 49 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.938 104.3 48.9 -54.6 -40.1 -27.9 -15.5 26.0 56 50 A A H <> S+ 0 0 0 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.865 105.2 57.3 -65.8 -36.6 -31.2 -13.8 26.7 57 51 A V H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.956 112.2 41.9 -58.2 -47.3 -31.3 -15.3 30.2 58 52 A G H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 116.2 47.5 -66.2 -45.0 -28.0 -13.6 30.9 59 53 A F H X S+ 0 0 7 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.897 112.3 49.9 -63.9 -41.2 -28.8 -10.3 29.3 60 54 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.913 111.4 47.9 -64.8 -42.4 -32.2 -10.1 31.0 61 55 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.893 112.4 49.8 -65.4 -39.1 -30.7 -10.8 34.5 62 56 A D H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.961 111.9 48.4 -62.6 -50.4 -28.0 -8.2 33.8 63 57 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.891 109.5 52.0 -58.1 -41.4 -30.7 -5.7 32.7 64 58 A A H X S+ 0 0 7 -4,-2.6 4,-1.6 1,-0.2 6,-0.2 0.898 110.8 48.8 -63.8 -37.3 -32.8 -6.4 35.8 65 59 A A H X>S+ 0 0 3 -4,-2.1 5,-1.6 1,-0.2 4,-1.2 0.930 114.0 45.1 -67.0 -45.2 -29.7 -5.8 38.0 66 60 A R H <5S+ 0 0 16 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.900 108.0 58.8 -64.7 -41.0 -29.0 -2.5 36.2 67 61 A Y H <5S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.899 123.8 19.9 -56.9 -43.8 -32.6 -1.4 36.3 68 62 A S H <5S- 0 0 44 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.322 100.9-120.0-111.4 8.1 -32.8 -1.6 40.1 69 63 A S T <5S+ 0 0 52 -4,-1.2 2,-0.2 -3,-0.3 -3,-0.2 0.939 80.0 105.4 51.9 49.7 -29.1 -1.4 41.0 70 64 A T S - 0 0 15 -2,-0.2 5,-1.3 -48,-0.2 28,-0.1 -0.647 48.8 -80.5-103.9 164.0 -28.5 -26.2 33.4 78 72 A Y T > 5S- 0 0 57 -2,-0.2 3,-0.7 3,-0.2 2,-0.4 -0.249 94.0 -3.0 -62.0 145.4 -25.1 -28.0 33.4 79 73 A G T >>5S+ 0 0 14 1,-0.2 4,-2.6 2,-0.1 3,-0.5 -0.577 131.7 21.8 79.6-129.6 -23.0 -28.1 30.2 80 74 A A H 3>5S+ 0 0 15 860,-0.4 4,-2.1 -2,-0.4 -1,-0.2 0.831 123.2 55.2 -43.0 -46.9 -24.5 -26.5 27.1 81 75 A G H <45S+ 0 0 3 -3,-0.7 -1,-0.2 1,-0.2 -3,-0.2 0.947 113.8 39.7 -55.6 -50.5 -26.9 -24.3 29.0 82 76 A A H X4< S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.3 543,-0.5 0.838 102.6 62.9 -61.3 -29.1 -21.6 -22.4 28.3 84 78 A N T 3< S+ 0 0 7 -4,-2.1 -1,-0.3 -5,-0.3 4,-0.2 0.529 102.9 49.5 -74.0 -4.5 -24.2 -20.7 26.2 85 79 A M T <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.2 -1,-0.2 0.300 78.1 102.0-114.9 7.0 -24.4 -17.8 28.7 86 80 A V H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.3 5,-0.2 0.911 82.0 49.3 -57.8 -45.3 -20.7 -17.2 28.9 87 81 A N H > S+ 0 0 4 535,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.930 110.3 48.4 -62.4 -47.8 -20.8 -14.1 26.7 88 82 A A H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 114.0 48.3 -61.3 -37.9 -23.8 -12.5 28.5 89 83 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.914 109.3 51.5 -69.1 -41.3 -22.0 -13.0 31.8 90 84 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.887 108.6 53.4 -61.4 -37.1 -18.7 -11.6 30.5 91 85 A G H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.878 108.7 47.8 -65.8 -38.1 -20.6 -8.6 29.3 92 86 A A H <>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 -2,-0.2 0.911 112.3 50.0 -68.8 -40.4 -22.0 -8.1 32.8 93 87 A Y H ><5S+ 0 0 28 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.967 109.2 52.3 -60.0 -50.3 -18.6 -8.5 34.3 94 88 A A H 3<5S+ 0 0 1 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.804 116.1 39.4 -55.4 -33.1 -17.2 -6.0 31.8 95 89 A E T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.074 114.5-109.1-110.9 26.6 -19.8 -3.4 32.8 96 90 A K T < 5 + 0 0 0 -3,-1.8 -3,-0.2 1,-0.2 63,-0.2 0.874 64.5 147.9 52.2 51.9 -19.9 -4.0 36.5 97 91 A S < - 0 0 0 -5,-2.5 2,-1.7 -6,-0.1 -1,-0.2 -0.965 46.9-132.9-118.5 121.3 -23.3 -5.7 36.8 98 92 A P + 0 0 12 0, 0.0 -26,-2.3 0, 0.0 2,-0.6 -0.487 32.1 173.9 -76.9 79.9 -23.8 -8.3 39.6 99 93 A V E -d 72 0B 1 -2,-1.7 62,-1.9 -28,-0.2 2,-0.8 -0.757 24.0-144.6 -87.5 123.7 -25.4 -11.2 37.8 100 94 A V E -de 73 161B 0 -28,-3.0 -26,-2.7 -2,-0.6 2,-0.5 -0.804 14.1-155.7 -90.8 110.5 -25.7 -14.2 40.0 101 95 A V E -de 74 162B 0 60,-2.6 62,-2.9 -2,-0.8 2,-0.5 -0.771 10.7-173.3 -89.6 126.1 -25.2 -17.3 37.8 102 96 A I E -de 75 163B 3 -28,-2.7 -26,-2.3 -2,-0.5 2,-0.4 -0.956 5.6-175.4-122.2 110.9 -26.8 -20.5 39.2 103 97 A S E -de 76 164B 1 60,-2.7 62,-2.7 -2,-0.5 -26,-0.2 -0.895 21.2-132.1-111.7 138.1 -26.1 -23.7 37.3 104 98 A G E - e 0 165B 5 -28,-1.9 -71,-0.2 -2,-0.4 -72,-0.1 -0.291 32.4-177.0 -72.4 167.0 -27.5 -27.1 38.0 105 99 A A E - e 0 166B 2 60,-1.1 62,-2.6 -73,-0.6 63,-0.2 -0.983 33.6 -71.3-162.0 162.2 -24.9 -29.9 38.1 106 100 A P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 6,-0.1 -0.198 64.7 -91.8 -56.5 151.3 -24.6 -33.7 38.4 107 101 A G > - 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