==== 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 HYDROLASE 08-MAY-07 2PU7 . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLA . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR S.BHOWMIK,J.T.BOLIN . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 0 0.0 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 . 13 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 0 0 1 0 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 L 0 0 116 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 144.2 -19.4 30.8 -21.6 2 5 A T > - 0 0 72 1,-0.1 4,-1.5 5,-0.0 5,-0.2 -0.909 360.0-116.6-130.7 161.4 -17.2 29.9 -24.6 3 6 A E H > S+ 0 0 42 -2,-0.3 4,-1.2 1,-0.2 3,-0.5 0.952 117.0 47.5 -53.0 -55.5 -13.5 29.5 -25.4 4 7 A S H 4 S+ 0 0 97 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.900 111.6 48.2 -54.3 -50.2 -13.7 32.4 -27.9 5 8 A S H 4 S+ 0 0 85 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.721 118.2 40.3 -68.8 -19.9 -15.6 34.8 -25.6 6 9 A T H < S+ 0 0 7 -4,-1.5 20,-2.1 -3,-0.5 -1,-0.2 0.557 86.0 123.7-103.5 -8.6 -13.2 34.1 -22.6 7 10 A S E < +A 25 0A 37 -4,-1.2 2,-0.3 -3,-0.5 18,-0.2 -0.299 32.2 163.0 -63.5 125.0 -10.0 34.0 -24.6 8 11 A K E -A 24 0A 89 16,-3.0 16,-2.4 -2,-0.1 2,-0.3 -0.958 23.4-150.3-138.2 157.3 -7.3 36.5 -23.5 9 12 A F E +A 23 0A 109 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.953 12.3 179.5-128.4 152.9 -3.5 37.0 -23.9 10 13 A V E -A 22 0A 22 12,-1.6 12,-2.3 -2,-0.3 2,-0.4 -0.986 24.2-130.1-149.2 136.1 -0.9 38.6 -21.6 11 14 A K E -A 21 0A 103 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.731 27.8-153.8 -86.7 137.6 2.8 39.1 -22.0 12 15 A I E -A 20 0A 1 8,-2.9 8,-2.7 -2,-0.4 2,-0.2 -0.913 21.6-175.3-118.5 151.2 5.0 37.9 -19.0 13 16 A N + 0 0 101 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.676 32.0 137.3-136.5 72.7 8.4 38.9 -17.6 14 17 A E S S- 0 0 23 -2,-0.2 3,-0.3 82,-0.0 2,-0.3 -0.967 75.1 -55.8-124.3 111.5 9.4 36.6 -14.7 15 18 A K S S+ 0 0 141 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.415 131.1 10.1 65.5-117.6 13.0 35.4 -14.7 16 19 A G S S+ 0 0 82 -2,-0.3 2,-0.4 -3,-0.0 -1,-0.3 -0.014 112.9 95.3 -84.1 26.6 13.9 33.6 -17.9 17 20 A F + 0 0 12 -3,-0.3 2,-0.4 72,-0.1 3,-0.0 -0.991 51.1 178.9-112.5 129.0 10.7 34.8 -19.5 18 21 A S S S- 0 0 102 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.960 73.7 -26.0-134.7 116.0 10.8 38.0 -21.5 19 22 A D S S+ 0 0 90 -2,-0.4 2,-0.4 1,-0.2 -6,-0.2 0.931 89.8 176.0 45.6 52.9 7.7 39.4 -23.2 20 23 A F E -A 12 0A 22 -8,-2.7 -8,-2.9 55,-0.0 2,-0.5 -0.768 27.3-127.3 -94.6 132.6 6.4 35.7 -23.2 21 24 A N E -A 11 0A 31 -2,-0.4 54,-3.3 -10,-0.2 2,-0.5 -0.671 25.7-174.8 -89.3 124.2 3.0 35.2 -24.5 22 25 A I E -A 10 0A 0 -12,-2.3 -12,-1.6 -2,-0.5 2,-0.4 -0.973 11.4-151.2-117.6 123.8 0.5 33.3 -22.3 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.6 44,-0.2 2,-0.3 -0.777 24.7 163.6 -88.9 136.9 -3.0 32.4 -23.5 24 27 A Y E -AB 8 66A 10 -16,-2.4 -16,-3.0 -2,-0.4 2,-0.5 -0.964 33.2-132.7-143.2 165.2 -5.8 32.1 -20.9 25 28 A N E -AB 7 65A 2 40,-1.9 40,-3.6 -2,-0.3 2,-0.4 -0.989 29.8-175.5-121.6 130.5 -9.6 31.9 -20.6 26 29 A E E + B 0 64A 30 -20,-2.1 2,-0.3 -2,-0.5 38,-0.2 -0.955 13.2 157.6-131.1 139.5 -11.1 34.0 -17.9 27 30 A A E + B 0 63A 11 36,-1.7 36,-3.0 -2,-0.4 -2,-0.0 -0.976 44.3 35.8-156.7 160.2 -14.6 34.5 -16.6 28 31 A G - 0 0 30 -2,-0.3 34,-0.3 34,-0.2 29,-0.1 -0.045 60.6-126.0 78.8 169.0 -16.2 35.8 -13.4 29 32 A N + 0 0 155 28,-0.2 33,-0.3 32,-0.2 3,-0.1 0.376 69.8 89.7-135.0 2.0 -14.9 38.6 -11.1 30 33 A G S S- 0 0 29 1,-0.3 31,-0.2 27,-0.1 30,-0.1 0.281 91.6 -21.6 -81.3-152.0 -14.6 37.3 -7.5 31 34 A E S S- 0 0 116 29,-0.3 31,-2.4 1,-0.1 -1,-0.3 -0.371 81.0-106.3 -53.6 138.0 -11.6 35.7 -5.8 32 35 A T E -c 62 0A 9 70,-0.4 72,-2.6 29,-0.2 2,-0.4 -0.494 34.2-176.4 -75.6 136.3 -9.2 34.3 -8.3 33 36 A V E -cd 63 104A 0 29,-2.8 31,-2.5 -2,-0.2 2,-0.6 -0.999 11.8-157.8-125.8 122.1 -8.9 30.6 -8.9 34 37 A I E -cd 64 105A 0 70,-3.4 72,-2.5 -2,-0.4 2,-0.4 -0.912 5.7-157.7-107.8 123.5 -6.2 29.6 -11.5 35 38 A M E -cd 65 106A 0 29,-3.0 31,-1.8 -2,-0.6 2,-0.4 -0.865 6.3-162.4-106.7 135.5 -6.6 26.2 -13.1 36 39 A L E -cd 66 107A 0 70,-2.6 72,-1.4 -2,-0.4 75,-0.2 -0.958 8.2-139.4-128.7 129.2 -3.7 24.4 -14.6 37 40 A H - 0 0 0 29,-0.7 77,-0.1 -2,-0.4 8,-0.1 -0.259 19.6 -96.9 -90.3 167.4 -3.7 21.6 -17.1 38 41 A G - 0 0 9 72,-0.2 -1,-0.1 6,-0.1 71,-0.1 -0.156 32.7-116.2 -71.3 175.5 -1.7 18.3 -17.7 39 42 A G + 0 0 3 3,-0.0 3,-0.1 32,-0.0 -1,-0.1 0.138 65.0 123.1-108.8 14.9 1.2 17.9 -20.2 40 43 A G S > S- 0 0 4 1,-0.1 3,-2.1 2,-0.1 113,-0.1 -0.387 78.1 -74.5 -73.2 161.3 -0.0 15.5 -22.8 41 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.262 120.0 14.6 -54.5 133.4 -0.0 16.5 -26.5 42 45 A G T 3 S+ 0 0 12 1,-0.3 148,-0.1 148,-0.2 149,-0.1 0.305 88.3 145.8 85.7 -8.4 -2.9 18.9 -27.2 43 46 A A < + 0 0 1 -3,-2.1 29,-0.5 147,-0.1 2,-0.3 -0.255 16.9 156.6 -58.0 149.1 -3.7 19.7 -23.6 44 47 A G > - 0 0 0 1,-0.1 4,-1.5 27,-0.1 5,-0.2 -0.975 50.8 -96.6-166.1 169.9 -4.8 23.3 -22.8 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.4 20,-0.2 21,-0.2 0.936 113.8 43.5 -58.7 -57.4 -6.8 25.4 -20.3 46 49 A W H > S+ 0 0 46 19,-0.2 4,-1.9 1,-0.2 3,-0.5 0.942 115.0 45.1 -57.8 -55.5 -10.2 25.5 -21.9 47 50 A S H 4 S+ 0 0 45 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.809 115.5 49.5 -65.6 -23.7 -10.6 21.8 -23.1 48 51 A N H < S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.777 125.7 24.3 -78.5 -29.4 -9.3 20.5 -19.7 49 52 A Y H >X S+ 0 0 0 -4,-1.4 3,-2.6 -3,-0.5 4,-1.8 0.371 79.1 112.0-123.5 1.3 -11.6 22.7 -17.6 50 53 A Y T 3< S+ 0 0 79 -4,-1.9 4,-0.4 1,-0.3 -1,-0.1 0.690 81.2 56.9 -53.4 -20.5 -14.7 23.6 -19.6 51 54 A R T 34 S+ 0 0 98 -4,-0.1 -1,-0.3 1,-0.1 222,-0.1 0.572 115.2 38.7 -84.9 -5.9 -16.8 21.4 -17.3 52 55 A N T <> S+ 0 0 0 -3,-2.6 4,-2.1 2,-0.1 5,-0.2 0.757 94.1 74.9-109.1 -33.7 -15.6 23.4 -14.3 53 56 A V H X S+ 0 0 6 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.893 97.4 50.2 -58.3 -44.2 -15.4 27.0 -15.3 54 57 A G H > S+ 0 0 18 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.940 110.9 44.4 -60.4 -61.1 -19.2 27.6 -15.2 55 58 A P H > S+ 0 0 51 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.893 116.8 49.1 -53.0 -36.1 -20.0 26.1 -11.8 56 59 A F H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 -2,-0.2 0.899 112.7 45.2 -71.5 -42.0 -17.0 28.0 -10.3 57 60 A V H ><5S+ 0 0 29 -4,-2.8 3,-2.0 -5,-0.2 -28,-0.2 0.931 111.8 54.7 -63.3 -43.4 -17.9 31.3 -11.8 58 61 A D H 3<5S+ 0 0 139 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.813 103.2 55.9 -56.4 -35.2 -21.4 30.7 -10.7 59 62 A A T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.473 129.6 -97.1 -80.3 -1.8 -20.1 30.2 -7.2 60 63 A G T < 5S+ 0 0 40 -3,-2.0 -29,-0.3 1,-0.3 -3,-0.2 0.498 78.6 131.4 106.9 4.6 -18.5 33.6 -7.3 61 64 A Y < - 0 0 13 -5,-2.3 2,-0.6 -31,-0.2 -1,-0.3 -0.574 57.5-126.8 -90.8 154.2 -15.0 33.0 -8.3 62 65 A R E - c 0 32A 52 -31,-2.4 -29,-2.8 -34,-0.3 2,-0.5 -0.897 35.8-156.7 -88.3 119.7 -12.9 34.6 -11.0 63 66 A V E -Bc 27 33A 0 -36,-3.0 -36,-1.7 -2,-0.6 2,-0.5 -0.843 14.9-171.4-109.1 133.7 -11.6 31.7 -13.0 64 67 A I E -Bc 26 34A 0 -31,-2.5 -29,-3.0 -2,-0.5 2,-0.9 -0.981 8.0-161.7-124.8 118.1 -8.5 31.7 -15.1 65 68 A L E -Bc 25 35A 0 -40,-3.6 -40,-1.9 -2,-0.5 2,-0.4 -0.879 22.8-160.0 -99.7 102.5 -7.8 28.7 -17.3 66 69 A K E -Bc 24 36A 0 -31,-1.8 -29,-0.7 -2,-0.9 2,-0.6 -0.658 16.7-142.9 -90.6 132.9 -4.1 29.1 -18.1 67 70 A D - 0 0 0 -44,-2.6 -44,-0.2 -2,-0.4 3,-0.1 -0.846 28.8-131.1 -83.5 119.0 -2.2 27.5 -21.0 68 71 A S > - 0 0 0 -2,-0.6 3,-1.8 1,-0.1 6,-0.3 -0.308 39.6 -77.1 -66.5 152.8 1.3 26.6 -19.6 69 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.246 123.1 22.7 -50.3 138.4 4.3 27.7 -21.7 70 73 A G T 3 S+ 0 0 5 5,-3.1 2,-0.4 1,-0.2 6,-0.2 0.684 106.5 104.9 74.4 14.5 4.8 25.4 -24.7 71 74 A F S X S- 0 0 4 -3,-1.8 3,-2.6 4,-0.3 -1,-0.2 -0.983 85.2 -42.5-125.0 147.3 1.1 24.4 -24.6 72 75 A N T 3 S- 0 0 21 -29,-0.5 125,-0.1 -2,-0.4 -28,-0.1 -0.034 123.7 -9.3 46.3-121.9 -1.9 25.3 -26.8 73 76 A K T 3 S+ 0 0 57 -50,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.383 109.1 101.4 -94.3 6.6 -1.9 29.1 -27.5 74 77 A S S < S- 0 0 3 -3,-2.6 -52,-0.2 -6,-0.3 -6,-0.1 -0.550 89.0 -76.6 -81.6 160.0 0.9 30.1 -25.2 75 78 A D - 0 0 59 -54,-3.3 -5,-3.1 -2,-0.2 -4,-0.3 -0.107 49.7-105.3 -55.8 147.9 4.3 30.7 -26.7 76 79 A A + 0 0 41 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.376 47.4 173.8 -65.7 155.7 6.5 27.8 -27.7 77 80 A V - 0 0 27 -8,-0.1 2,-0.5 -2,-0.1 127,-0.2 -0.991 32.6-141.1-166.1 146.9 9.5 27.1 -25.4 78 81 A V - 0 0 61 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.988 28.2-152.8-118.5 122.5 12.3 24.7 -24.7 79 82 A M - 0 0 6 -2,-0.5 128,-0.3 121,-0.3 129,-0.1 -0.737 24.3-177.2-102.1 139.8 12.9 24.1 -21.1 80 83 A D S S+ 0 0 112 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.468 74.0 62.3-106.9 -9.1 16.1 23.1 -19.4 81 84 A E S S- 0 0 80 1,-0.1 127,-0.1 127,-0.1 126,-0.1 -0.699 105.7 -72.1-109.3 168.6 14.5 22.9 -15.9 82 85 A Q >> - 0 0 25 -2,-0.2 4,-1.8 130,-0.2 3,-0.6 -0.314 45.6-126.9 -60.6 137.8 11.8 20.6 -14.5 83 86 A R H 3> S+ 0 0 10 125,-0.3 4,-3.0 1,-0.3 5,-0.2 0.815 103.1 62.9 -64.6 -30.8 8.4 21.7 -16.0 84 87 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.904 107.5 42.5 -61.1 -46.3 6.7 22.1 -12.7 85 88 A L H <> S+ 0 0 15 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.921 114.7 48.9 -64.1 -50.1 9.1 24.9 -11.6 86 89 A V H X S+ 0 0 17 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.943 111.9 50.1 -59.7 -44.2 9.1 26.7 -15.0 87 90 A N H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.869 107.0 55.3 -60.4 -37.2 5.3 26.7 -15.2 88 91 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.865 105.4 51.2 -62.2 -42.6 5.1 28.1 -11.6 89 92 A R H X S+ 0 0 43 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.897 108.5 53.1 -61.8 -37.1 7.2 31.0 -12.6 90 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.896 106.4 52.2 -63.9 -37.4 4.8 31.6 -15.5 91 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.933 110.8 47.1 -65.8 -44.1 1.9 31.6 -13.1 92 95 A K H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.895 111.3 51.7 -63.4 -42.0 3.6 34.2 -11.0 93 96 A G H X S+ 0 0 5 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.943 111.3 48.2 -56.7 -47.8 4.4 36.2 -14.1 94 97 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.930 111.9 48.7 -59.5 -45.4 0.8 36.0 -15.1 95 98 A M H <>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 4,-0.4 0.905 112.0 47.2 -66.6 -40.6 -0.4 37.1 -11.7 96 99 A D H ><5S+ 0 0 62 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.924 110.0 54.7 -64.5 -42.3 2.0 40.1 -11.5 97 100 A A H 3<5S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 115.5 39.0 -55.3 -33.8 0.9 41.1 -15.1 98 101 A L T 3<5S- 0 0 34 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.308 113.2-114.1-103.0 5.3 -2.8 41.2 -14.0 99 102 A D T < 5 + 0 0 142 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.2 0.934 59.0 158.3 57.6 48.2 -2.3 42.7 -10.5 100 103 A I < - 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