==== 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 2PU5 . 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 . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 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 . 45 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 1 0 0 2 2 2 3 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A T 0 0 183 0, 0.0 2,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 137.7 -61.0 19.9 -0.9 2 3 A A - 0 0 73 1,-0.1 2,-0.7 0, 0.0 0, 0.0 -0.350 360.0-120.1 -61.8 152.4 -61.7 22.1 -3.9 3 4 A L + 0 0 68 5,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.902 52.7 141.0-108.1 106.2 -60.0 25.5 -3.6 4 5 A T > - 0 0 66 -2,-0.7 4,-1.3 1,-0.1 5,-0.1 -0.832 66.7 -95.5-134.2 169.9 -62.5 28.4 -3.6 5 6 A E T >4 S+ 0 0 82 -2,-0.3 3,-0.6 1,-0.2 4,-0.4 0.968 125.3 36.8 -52.9 -51.0 -62.7 31.7 -1.7 6 7 A S G >4 S+ 0 0 100 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.879 110.0 59.4 -72.8 -38.8 -65.1 30.1 1.0 7 8 A S G 34 S+ 0 0 50 1,-0.3 -1,-0.2 20,-0.0 -2,-0.2 0.787 115.7 37.4 -61.7 -21.4 -63.5 26.7 1.1 8 9 A T G << S+ 0 0 4 -4,-1.3 20,-2.6 -3,-0.6 -1,-0.3 0.483 89.3 122.5-102.6 -3.4 -60.3 28.5 2.2 9 10 A S E < +A 27 0A 39 -3,-1.1 2,-0.3 -4,-0.4 18,-0.2 -0.412 35.2 160.8 -73.4 128.8 -61.8 31.2 4.3 10 11 A K E -A 26 0A 81 16,-3.5 16,-3.0 -2,-0.2 2,-0.4 -0.934 27.4-145.3-143.5 168.7 -60.7 31.4 8.0 11 12 A F E +A 25 0A 95 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.982 13.8 175.7-129.2 141.5 -60.5 33.5 11.2 12 13 A V E -A 24 0A 22 12,-1.7 12,-3.4 -2,-0.4 2,-0.4 -0.973 24.9-131.2-143.3 141.2 -58.0 33.9 13.9 13 14 A K E -A 23 0A 82 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.650 25.0-156.4 -79.6 135.7 -57.7 36.1 17.0 14 15 A I E -A 22 0A 1 8,-3.1 8,-2.1 -2,-0.4 7,-0.2 -0.886 18.7-175.2-122.2 155.7 -54.4 37.9 17.5 15 16 A N + 0 0 97 -2,-0.3 2,-0.5 5,-0.2 3,-0.1 -0.471 34.6 134.5-146.4 48.2 -52.9 39.3 20.8 16 17 A E S > S- 0 0 26 1,-0.2 3,-3.0 75,-0.0 79,-0.1 -0.912 75.0 -26.8-105.3 129.8 -49.6 41.1 19.8 17 18 A K T 3 S- 0 0 102 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.735 133.7 -21.5 46.3 62.8 -48.7 44.5 21.1 18 19 A G T 3 S+ 0 0 83 1,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.204 108.8 112.5 89.7 -24.5 -52.0 46.2 21.9 19 20 A F < - 0 0 19 -3,-3.0 2,-0.4 3,-0.0 -1,-0.4 -0.689 46.9-177.7 -68.6 132.4 -54.1 43.9 19.6 20 21 A S - 0 0 96 -2,-0.4 -5,-0.2 -5,-0.1 3,-0.1 -0.865 62.7 -24.0-143.3 116.3 -56.2 42.0 21.9 21 22 A D S S+ 0 0 100 -2,-0.4 2,-0.5 1,-0.2 -6,-0.2 0.903 88.3 164.5 44.8 49.6 -58.6 39.2 20.7 22 23 A F E -A 14 0A 24 -8,-2.1 -8,-3.1 55,-0.1 2,-0.5 -0.849 35.3-123.9-101.3 128.0 -58.7 41.0 17.4 23 24 A N E -A 13 0A 38 -2,-0.5 54,-2.6 -10,-0.2 2,-0.7 -0.628 21.3-162.4 -92.1 115.8 -60.1 39.0 14.6 24 25 A I E -A 12 0A 0 -12,-3.4 -12,-1.7 -2,-0.5 2,-0.3 -0.851 5.2-153.3-102.1 116.8 -58.2 38.3 11.5 25 26 A H E +A 11 0A 0 -2,-0.7 44,-2.9 -14,-0.2 2,-0.3 -0.579 27.6 159.5 -77.9 130.8 -59.8 37.1 8.3 26 27 A Y E -AB 10 68A 13 -16,-3.0 -16,-3.5 -2,-0.3 2,-0.5 -0.984 36.9-130.6-147.1 164.3 -57.6 35.1 6.0 27 28 A N E -AB 9 67A 1 40,-2.7 40,-2.9 -2,-0.3 2,-0.4 -0.978 31.9-175.5-120.1 122.5 -57.7 32.6 3.1 28 29 A E E + B 0 66A 22 -20,-2.6 2,-0.3 -2,-0.5 38,-0.2 -0.969 13.9 152.5-127.8 131.7 -55.5 29.5 3.4 29 30 A A E + B 0 65A 18 36,-1.8 36,-3.3 -2,-0.4 -21,-0.0 -0.961 43.6 28.7-141.7 166.0 -54.6 26.5 1.3 30 31 A G - 0 0 21 -2,-0.3 2,-0.3 34,-0.3 34,-0.3 -0.043 67.4-110.0 79.5-176.9 -51.7 24.1 0.8 31 32 A N + 0 0 143 32,-0.3 2,-0.4 28,-0.2 -1,-0.0 -0.965 64.6 35.7-149.9 155.4 -49.2 22.9 3.4 32 33 A G S S+ 0 0 55 -2,-0.3 31,-0.1 31,-0.1 2,-0.1 -0.848 94.6 32.9 106.1-144.1 -45.6 23.3 4.1 33 34 A E E S-c 63 0A 107 29,-0.5 31,-2.6 -2,-0.4 2,-0.4 -0.362 85.9-124.8 -59.8 128.8 -43.3 26.3 3.7 34 35 A T E -c 64 0A 10 70,-0.4 72,-3.0 29,-0.2 2,-0.5 -0.670 27.7-175.1 -94.3 138.6 -45.5 29.3 4.3 35 36 A V E -cd 65 106A 0 29,-2.7 31,-2.9 -2,-0.4 2,-0.5 -0.990 9.5-162.1-122.9 117.8 -46.1 32.3 2.1 36 37 A I E -cd 66 107A 0 70,-3.4 72,-2.7 -2,-0.5 2,-0.4 -0.899 5.9-154.0-104.2 132.3 -48.1 35.0 3.4 37 38 A M E -cd 67 108A 0 29,-3.4 31,-1.8 -2,-0.5 2,-0.5 -0.886 4.9-159.8-110.2 131.1 -49.6 37.5 0.9 38 39 A L E -cd 68 109A 0 70,-2.8 72,-2.6 -2,-0.4 75,-0.2 -0.949 13.3-140.6-121.7 123.5 -50.4 41.1 2.0 39 40 A H - 0 0 0 29,-0.6 74,-0.4 -2,-0.5 8,-0.1 -0.224 19.0 -97.6 -88.9 170.1 -52.8 43.1 0.0 40 41 A G - 0 0 4 6,-0.2 -1,-0.1 72,-0.2 71,-0.1 0.058 30.7-108.5 -81.8-169.4 -52.9 46.8 -1.0 41 42 A G + 0 0 5 3,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.347 68.0 115.8-115.6 5.2 -54.7 49.8 0.5 42 43 A G S > S- 0 0 4 1,-0.2 3,-1.9 2,-0.1 114,-0.1 -0.207 78.8 -75.4 -69.3 162.1 -57.5 50.9 -1.7 43 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.2 -0.359 118.3 16.3 -59.3 137.4 -61.1 50.7 -0.7 44 45 A G T 3 S+ 0 0 9 148,-0.3 148,-0.1 1,-0.3 149,-0.1 0.519 87.9 150.8 76.4 8.2 -62.5 47.2 -0.8 45 46 A A < + 0 0 0 -3,-1.9 29,-0.4 147,-0.1 2,-0.3 -0.431 11.6 158.1 -71.2 149.4 -59.1 45.4 -0.9 46 47 A G > - 0 0 0 27,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.931 52.8 -99.1-158.7 167.4 -58.8 42.0 0.7 47 48 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 20,-0.2 5,-0.2 0.945 120.7 46.8 -59.3 -52.7 -56.4 39.0 0.4 48 49 A W H > S+ 0 0 40 19,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 112.7 50.3 -58.3 -44.8 -58.6 37.0 -2.0 49 50 A S H 4 S+ 0 0 24 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.897 117.1 38.8 -62.4 -42.3 -59.3 40.0 -4.3 50 51 A N H < S+ 0 0 2 -4,-2.2 3,-0.3 1,-0.1 -2,-0.2 0.935 131.0 27.2 -73.9 -42.5 -55.6 40.9 -4.6 51 52 A Y H >X S+ 0 0 2 -4,-2.9 3,-2.1 -5,-0.2 4,-2.0 0.318 75.8 110.3-114.4 15.4 -54.3 37.3 -4.9 52 53 A Y T 3< S+ 0 0 70 -4,-2.0 4,-0.4 1,-0.3 -1,-0.2 0.664 85.0 53.6 -69.9 -13.5 -56.9 34.9 -6.3 53 54 A R T 34 S+ 0 0 85 -3,-0.3 -1,-0.3 -4,-0.1 222,-0.1 0.485 115.6 39.9 -90.3 -3.5 -54.9 34.5 -9.5 54 55 A N T <> S+ 0 0 0 -3,-2.1 4,-1.9 2,-0.1 5,-0.2 0.657 96.2 74.0-108.5 -33.1 -51.8 33.6 -7.5 55 56 A V H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.928 94.9 50.8 -58.8 -46.4 -53.0 31.3 -4.7 56 57 A G H > S+ 0 0 29 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.938 112.9 44.6 -58.7 -53.9 -53.7 28.1 -6.8 57 58 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.844 113.1 50.4 -58.0 -37.7 -50.2 28.1 -8.5 58 59 A F H <>S+ 0 0 0 -4,-1.9 5,-1.5 2,-0.2 3,-0.4 0.937 113.8 46.0 -67.2 -45.3 -48.3 28.8 -5.3 59 60 A V H ><5S+ 0 0 35 -4,-2.4 3,-1.8 1,-0.2 -28,-0.2 0.919 111.1 52.3 -61.0 -45.1 -50.2 25.9 -3.5 60 61 A D H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 102.4 59.9 -62.1 -26.1 -49.6 23.7 -6.5 61 62 A A T 3<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.236 130.5 -90.9 -81.9 8.2 -45.9 24.4 -6.3 62 63 A G T < 5S+ 0 0 50 -3,-1.8 -29,-0.5 1,-0.3 2,-0.3 0.715 83.7 129.8 87.8 25.5 -45.7 23.0 -2.7 63 64 A Y E < - c 0 33A 12 -5,-1.5 2,-0.6 -31,-0.1 -32,-0.3 -0.810 58.3-130.9-106.3 151.8 -46.4 26.1 -0.6 64 65 A R E - c 0 34A 55 -31,-2.6 -29,-2.7 -2,-0.3 2,-0.5 -0.906 37.1-154.0 -89.4 120.0 -48.8 26.7 2.2 65 66 A V E -Bc 29 35A 0 -36,-3.3 -36,-1.8 -2,-0.6 2,-0.5 -0.857 15.8-171.6-109.9 128.9 -50.4 30.1 1.1 66 67 A I E -Bc 28 36A 0 -31,-2.9 -29,-3.4 -2,-0.5 2,-0.8 -0.973 7.1-167.9-118.8 114.0 -52.0 32.6 3.4 67 68 A L E -Bc 27 37A 0 -40,-2.9 -40,-2.7 -2,-0.5 2,-0.3 -0.896 22.5-161.5 -98.2 102.1 -53.9 35.5 2.0 68 69 A K E -Bc 26 38A 0 -31,-1.8 -29,-0.6 -2,-0.8 2,-0.6 -0.640 16.3-140.3 -90.8 141.3 -54.3 37.7 5.0 69 70 A D - 0 0 0 -44,-2.9 -44,-0.2 -2,-0.3 3,-0.1 -0.856 30.4-131.3 -95.6 123.2 -56.9 40.6 5.4 70 71 A S > - 0 0 0 -2,-0.6 3,-1.5 1,-0.2 6,-0.3 -0.413 37.9 -73.5 -71.7 163.6 -55.1 43.3 7.2 71 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 -0.199 121.4 16.7 -53.6 131.0 -56.7 45.0 10.2 72 73 A G T 3 S+ 0 0 4 5,-3.0 2,-0.3 1,-0.2 6,-0.2 0.702 105.9 99.8 76.1 22.0 -59.5 47.3 9.0 73 74 A F S X S- 0 0 5 -3,-1.5 3,-1.9 4,-0.3 -1,-0.2 -0.980 86.8 -32.5-135.6 145.7 -59.9 45.8 5.5 74 75 A N T 3 S- 0 0 25 -29,-0.4 -28,-0.1 -2,-0.3 125,-0.1 -0.134 125.1 -11.8 56.1-120.2 -62.4 43.3 4.2 75 76 A K T 3 S+ 0 0 95 -50,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.520 108.2 102.1 -97.2 -6.8 -63.5 40.8 6.8 76 77 A S S < S- 0 0 5 -3,-1.9 -52,-0.2 -6,-0.3 -6,-0.1 -0.259 87.6 -75.7 -64.1 166.8 -60.9 41.5 9.5 77 78 A D - 0 0 57 -54,-2.6 -5,-3.0 1,-0.1 -4,-0.3 -0.220 50.4-108.3 -59.7 154.5 -61.9 43.6 12.5 78 79 A A + 0 0 45 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.412 42.1 171.3 -81.1 156.1 -62.3 47.4 12.2 79 80 A V - 0 0 33 -2,-0.1 2,-0.6 -7,-0.1 127,-0.2 -0.943 34.6-142.1-168.1 138.8 -59.8 49.8 13.7 80 81 A V - 0 0 65 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.978 34.2-150.8 -97.1 115.5 -58.9 53.5 13.7 81 82 A M - 0 0 7 -2,-0.6 128,-0.2 121,-0.4 129,-0.1 -0.761 24.0-175.2 -91.0 129.5 -55.0 53.5 13.8 82 83 A D S S+ 0 0 120 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.336 73.6 59.0 -98.7 7.0 -53.0 56.3 15.4 83 84 A E S S- 0 0 85 127,-0.1 127,-0.1 1,-0.1 126,-0.1 -0.870 106.6 -69.6-122.3 164.7 -49.6 54.8 14.2 84 85 A Q > - 0 0 33 -2,-0.3 4,-2.3 130,-0.2 3,-0.4 -0.240 42.2-134.4 -57.1 138.5 -48.3 54.1 10.6 85 86 A R H > S+ 0 0 9 1,-0.3 4,-3.8 125,-0.2 5,-0.3 0.770 99.2 63.6 -76.2 -29.9 -50.2 51.2 9.1 86 87 A G H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.893 110.3 38.8 -61.1 -38.8 -47.2 49.4 7.8 87 88 A L H > S+ 0 0 24 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.924 119.2 47.2 -78.2 -45.5 -45.9 48.9 11.3 88 89 A V H X S+ 0 0 11 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.913 112.4 49.8 -58.1 -45.3 -49.3 48.2 12.7 89 90 A N H X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.2 -1,-0.2 0.834 109.1 53.6 -63.3 -29.2 -50.1 45.8 9.9 90 91 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.3 -2,-0.2 0.892 104.9 52.6 -77.8 -40.9 -46.7 44.0 10.5 91 92 A R H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.893 109.2 51.5 -56.7 -40.5 -47.6 43.5 14.3 92 93 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.881 106.5 52.8 -62.8 -38.6 -50.8 41.9 13.1 93 94 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.901 111.9 46.5 -65.2 -36.9 -48.9 39.6 10.7 94 95 A K H X S+ 0 0 33 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.948 110.2 53.4 -68.0 -47.7 -46.7 38.5 13.6 95 96 A G H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.880 109.2 48.5 -53.7 -44.7 -49.8 38.0 15.8 96 97 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.874 111.2 49.9 -66.7 -38.3 -51.4 35.8 13.3 97 98 A M H X>S+ 0 0 0 -4,-1.9 5,-3.3 2,-0.2 4,-0.6 0.908 112.0 48.5 -61.2 -43.5 -48.1 33.7 12.9 98 99 A D H ><5S+ 0 0 66 -4,-2.7 3,-1.5 2,-0.2 -2,-0.2 0.962 111.8 48.2 -59.8 -55.9 -47.9 33.3 16.7 99 100 A A H 3<5S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 117.0 44.1 -56.8 -31.8 -51.6 32.3 17.0 100 101 A L H 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.424 110.6-117.7-101.0 2.8 -51.0 29.8 14.2 101 102 A D T <<5 + 0 0 147 -3,-1.5 2,-0.7 -4,-0.6 -3,-0.2 0.817 60.0 152.2 72.8 30.2 -47.7 28.3 15.3 102 103 A I < - 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