==== 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 04-JAN-07 2OG1 . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLA . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR S.DAI,J.KE,J.T.BOLIN . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 6.2 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 . 2 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 . 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 . 34 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 0 0 2 1 3 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 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 . 0 0 0 2 1 0 1 1 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 0 181 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 -13.6 63.0 49.3 2 3 A A - 0 0 74 1,-0.1 2,-0.8 0, 0.0 5,-0.0 -0.342 360.0-118.4 -65.2 150.9 -11.8 64.6 46.4 3 4 A L + 0 0 72 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.847 55.1 139.2 -98.3 108.7 -8.0 64.6 46.7 4 5 A T > - 0 0 64 -2,-0.8 4,-1.4 1,-0.1 5,-0.1 -0.860 67.2 -97.7-137.4 171.9 -6.7 68.2 46.8 5 6 A E H > S+ 0 0 86 -2,-0.3 4,-0.7 1,-0.2 3,-0.3 0.941 124.3 44.9 -59.7 -45.0 -4.1 70.0 48.7 6 7 A S H >4 S+ 0 0 103 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.905 109.4 53.2 -65.2 -45.0 -6.7 71.3 51.1 7 8 A S H 34 S+ 0 0 52 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.752 114.7 42.6 -64.5 -23.9 -8.6 68.1 51.6 8 9 A T H 3< S+ 0 0 3 -4,-1.4 20,-2.6 -3,-0.3 -1,-0.2 0.520 86.5 119.1 -98.7 -8.3 -5.4 66.3 52.6 9 10 A S E << +A 27 0A 41 -3,-0.8 2,-0.3 -4,-0.7 18,-0.2 -0.426 35.0 154.7 -67.4 124.7 -4.0 69.0 54.8 10 11 A K E -A 26 0A 83 16,-2.9 16,-2.5 -2,-0.2 2,-0.3 -0.930 28.0-146.4-144.7 165.3 -3.5 68.0 58.4 11 12 A F E -A 25 0A 95 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.976 11.8-177.5-135.7 149.7 -1.3 69.0 61.5 12 13 A V E -A 24 0A 19 12,-2.1 12,-2.8 -2,-0.3 2,-0.4 -0.993 24.4-127.6-148.4 139.9 0.1 66.9 64.3 13 14 A K E -A 23 0A 90 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.718 30.9-158.9 -86.0 136.0 2.2 67.9 67.4 14 15 A I E -A 22 0A 1 8,-2.5 8,-2.0 -2,-0.4 7,-0.4 -0.858 14.2-164.0-119.8 156.6 5.4 65.9 67.8 15 16 A N E + 0 0 94 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.994 35.8 112.7-138.0 124.7 7.7 65.1 70.7 16 17 A E E > S-A 19 0A 53 3,-2.0 3,-2.6 -2,-0.4 2,-0.4 -0.922 74.4 -32.5-168.7-172.7 11.2 63.8 70.3 17 18 A K T 3 S+ 0 0 138 1,-0.3 78,-0.1 -2,-0.3 74,-0.1 -0.454 136.0 5.4 -62.0 114.6 14.8 64.8 70.8 18 19 A G T 3 S+ 0 0 79 -2,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.427 117.6 92.9 90.8 0.3 14.8 68.6 70.2 19 20 A F E < +A 16 0A 15 -3,-2.6 -3,-2.0 72,-0.1 2,-0.4 -0.988 40.8 171.8-133.8 130.0 11.0 68.8 69.9 20 21 A S E S- 0 0 101 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.940 82.0 -26.0-137.0 111.6 8.2 69.5 72.4 21 22 A D E S+ 0 0 95 -7,-0.4 2,-0.4 -2,-0.4 -6,-0.2 0.896 89.2 169.3 50.7 44.6 4.7 70.0 71.2 22 23 A F E -A 14 0A 27 -8,-2.0 -8,-2.5 55,-0.0 2,-0.5 -0.751 33.1-124.7 -89.2 130.2 6.2 71.1 67.9 23 24 A N E -A 13 0A 32 -2,-0.4 54,-2.7 -10,-0.2 2,-0.5 -0.648 25.6-170.9 -86.4 123.1 3.6 71.5 65.1 24 25 A I E -A 12 0A 0 -12,-2.8 -12,-2.1 -2,-0.5 2,-0.3 -0.941 9.1-152.0-111.8 125.9 4.2 69.5 61.9 25 26 A H E +A 11 0A 0 -2,-0.5 44,-2.4 44,-0.3 2,-0.3 -0.756 24.6 162.1 -94.7 145.4 2.0 70.1 58.8 26 27 A Y E -AB 10 68A 12 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.5 -0.969 35.2-127.6-154.7 164.6 1.5 67.3 56.3 27 28 A N E -AB 9 67A 2 40,-2.0 40,-3.0 -2,-0.3 2,-0.4 -0.988 34.1-178.7-120.9 123.5 -0.8 66.2 53.5 28 29 A E E + B 0 66A 20 -20,-2.6 2,-0.3 -2,-0.5 38,-0.2 -0.949 14.6 148.8-131.9 145.1 -2.2 62.7 53.8 29 30 A A E + B 0 65A 20 36,-1.8 36,-3.2 -2,-0.4 -2,-0.0 -0.966 39.8 41.2-160.7 159.2 -4.5 60.4 51.8 30 31 A G - 0 0 23 -2,-0.3 2,-0.3 34,-0.3 34,-0.3 -0.100 60.0-112.5 90.8 171.5 -4.9 56.6 51.2 31 32 A N + 0 0 139 32,-0.3 2,-0.3 28,-0.3 -1,-0.0 -0.987 65.8 54.7-146.1 148.0 -4.8 53.5 53.4 32 33 A G S S+ 0 0 52 -2,-0.3 31,-0.2 31,-0.2 30,-0.1 -0.946 95.8 9.2 129.3-151.2 -2.4 50.6 53.5 33 34 A E E S-c 63 0A 111 29,-0.6 31,-2.7 -2,-0.3 2,-0.4 -0.379 84.6-112.5 -62.6 143.4 1.4 50.4 53.9 34 35 A T E -c 64 0A 13 70,-0.5 72,-3.2 29,-0.2 2,-0.5 -0.652 31.3-174.9 -86.9 133.5 2.7 53.9 54.9 35 36 A V E -cd 65 106A 0 29,-2.8 31,-2.5 -2,-0.4 2,-0.6 -0.989 6.6-164.4-126.0 116.7 4.9 55.9 52.5 36 37 A I E -cd 66 107A 0 70,-2.9 72,-2.3 -2,-0.5 2,-0.5 -0.920 6.7-155.9-105.8 121.9 6.2 59.1 53.9 37 38 A M E -cd 67 108A 0 29,-2.9 31,-1.9 -2,-0.6 2,-0.5 -0.873 5.5-157.5-102.9 129.5 7.6 61.5 51.3 38 39 A L E -cd 68 109A 0 70,-3.4 72,-2.4 -2,-0.5 75,-0.2 -0.915 11.8-135.8-111.9 126.2 10.2 64.0 52.4 39 40 A H - 0 0 0 29,-0.7 74,-0.3 -2,-0.5 8,-0.1 -0.142 19.7 -97.7 -80.0 171.2 10.9 67.3 50.5 40 41 A G - 0 0 5 72,-0.2 71,-0.1 6,-0.2 -1,-0.1 -0.022 30.5-111.6 -76.1-176.7 14.0 69.1 49.4 41 42 A G + 0 0 4 3,-0.0 3,-0.1 2,-0.0 -1,-0.1 0.284 68.1 118.8-108.1 13.0 15.8 72.0 51.1 42 43 A G S > S- 0 0 7 1,-0.1 3,-2.1 2,-0.1 113,-0.1 -0.356 78.6 -77.7 -76.8 158.6 15.3 75.0 48.7 43 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.272 119.0 15.1 -53.8 132.3 13.4 78.2 49.8 44 45 A G T 3 S+ 0 0 10 148,-0.2 148,-0.1 1,-0.2 5,-0.1 0.471 88.5 150.7 82.3 0.4 9.6 77.5 49.7 45 46 A A < + 0 0 0 -3,-2.1 29,-0.4 147,-0.1 2,-0.3 -0.305 13.6 159.8 -65.6 151.7 9.9 73.7 49.5 46 47 A G > - 0 0 2 1,-0.1 4,-2.0 27,-0.1 5,-0.2 -0.970 50.9 -98.9-163.6 166.0 7.0 71.7 51.0 47 48 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 20,-0.2 21,-0.2 0.942 119.3 42.1 -59.6 -52.1 5.5 68.3 50.9 48 49 A W H > S+ 0 0 41 1,-0.2 4,-1.7 19,-0.2 -1,-0.2 0.942 113.6 52.0 -62.3 -47.1 2.7 69.1 48.5 49 50 A S H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.850 115.4 42.4 -57.8 -37.9 4.8 71.2 46.2 50 51 A N H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.1 3,-0.2 0.876 128.1 26.0 -75.9 -39.5 7.4 68.5 45.8 51 52 A Y H >X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 3,-2.1 0.231 75.1 113.5-117.6 17.9 5.0 65.6 45.5 52 53 A Y T 3< S+ 0 0 76 -4,-1.7 4,-0.4 1,-0.3 -1,-0.1 0.670 84.2 53.8 -65.4 -14.6 1.7 66.6 44.0 53 54 A R T 34 S+ 0 0 85 -3,-0.2 -1,-0.3 -5,-0.1 222,-0.1 0.463 116.1 39.6 -94.2 -1.1 2.4 64.6 40.9 54 55 A N T <> S+ 0 0 0 -3,-2.1 4,-2.1 2,-0.1 5,-0.2 0.721 95.4 72.8-115.5 -32.4 3.1 61.5 42.9 55 56 A V H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.899 96.4 52.0 -54.8 -47.2 0.5 61.4 45.8 56 57 A G H > S+ 0 0 29 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.945 111.7 43.9 -56.2 -56.1 -2.5 60.4 43.6 57 58 A P H > S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.870 114.4 50.2 -59.3 -39.3 -0.8 57.4 41.8 58 59 A F H <>S+ 0 0 0 -4,-2.1 5,-1.6 2,-0.2 -2,-0.2 0.904 111.7 47.5 -67.3 -40.5 0.6 56.1 45.1 59 60 A V H ><5S+ 0 0 34 -4,-2.4 3,-1.8 -5,-0.2 -28,-0.3 0.925 111.2 51.7 -64.5 -42.5 -2.7 56.4 46.9 60 61 A D H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 103.0 60.1 -65.5 -24.8 -4.4 54.6 43.9 61 62 A A T 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.471 128.6 -94.9 -81.9 -2.8 -1.7 51.9 44.2 62 63 A G T < 5S+ 0 0 41 -3,-1.8 -29,-0.6 1,-0.3 2,-0.3 0.742 80.2 128.8 98.6 26.0 -2.9 51.1 47.7 63 64 A Y E < - c 0 33A 13 -5,-1.6 2,-0.7 -31,-0.2 -32,-0.3 -0.835 59.8-124.8-114.5 153.6 -0.6 53.1 50.0 64 65 A R E - c 0 34A 58 -31,-2.7 -29,-2.8 -2,-0.3 2,-0.5 -0.858 38.9-156.6 -91.0 115.5 -1.2 55.5 52.8 65 66 A V E -Bc 29 35A 0 -36,-3.2 -36,-1.8 -2,-0.7 2,-0.5 -0.862 17.4-175.9-106.1 131.2 0.7 58.6 51.6 66 67 A I E -Bc 28 36A 0 -31,-2.5 -29,-2.9 -2,-0.5 2,-0.9 -0.984 9.4-164.1-124.9 116.0 2.0 61.3 53.9 67 68 A L E -Bc 27 37A 0 -40,-3.0 -40,-2.0 -2,-0.5 2,-0.3 -0.893 24.5-156.2 -99.5 104.3 3.7 64.3 52.3 68 69 A K E -Bc 26 38A 0 -31,-1.9 -29,-0.7 -2,-0.9 2,-0.7 -0.640 15.7-143.2 -90.0 138.3 5.6 65.8 55.4 69 70 A D - 0 0 0 -44,-2.4 -44,-0.3 -2,-0.3 3,-0.1 -0.873 29.0-135.0 -93.9 119.0 6.7 69.4 55.8 70 71 A S > - 0 0 0 -2,-0.7 3,-1.3 1,-0.1 6,-0.3 -0.310 36.8 -76.0 -70.7 159.9 10.0 69.3 57.6 71 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.259 121.4 23.1 -54.4 137.6 10.6 71.6 60.6 72 73 A G T 3 S+ 0 0 3 5,-2.7 2,-0.3 1,-0.2 6,-0.2 0.715 106.4 100.8 78.2 18.0 11.4 75.1 59.4 73 74 A F S X S- 0 0 5 -3,-1.3 3,-2.2 4,-0.3 -1,-0.2 -0.994 85.1 -41.3-138.6 145.2 9.6 74.7 56.0 74 75 A N T 3 S- 0 0 26 -29,-0.4 -28,-0.1 -2,-0.3 125,-0.1 -0.070 122.0 -7.8 44.8-122.7 6.3 75.6 54.6 75 76 A K T 3 S+ 0 0 88 -50,-0.0 -1,-0.3 -4,-0.0 2,-0.1 0.408 109.6 98.7 -88.0 2.3 3.4 75.2 57.1 76 77 A S S < S- 0 0 5 -3,-2.2 -52,-0.2 -6,-0.3 -6,-0.1 -0.455 88.1 -77.5 -82.8 163.8 5.4 73.4 59.9 77 78 A D - 0 0 63 -54,-2.7 -5,-2.7 -2,-0.1 -4,-0.3 -0.157 49.7-104.9 -61.9 154.9 6.7 75.4 62.8 78 79 A A + 0 0 46 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.402 43.5 167.6 -78.2 155.2 9.8 77.6 62.6 79 80 A V - 0 0 35 -2,-0.1 2,-0.6 119,-0.1 127,-0.1 -0.961 34.6-142.3-167.4 146.2 13.1 76.6 64.1 80 81 A V - 0 0 63 -2,-0.3 2,-0.3 125,-0.1 123,-0.1 -0.984 32.7-153.9-111.2 119.0 16.8 77.5 64.1 81 82 A M - 0 0 6 -2,-0.6 128,-0.3 121,-0.3 129,-0.2 -0.731 23.2-172.9 -97.5 144.4 18.8 74.3 64.2 82 83 A D S S+ 0 0 116 -2,-0.3 2,-0.3 127,-0.1 -1,-0.1 0.304 72.1 63.8-114.2 6.7 22.3 73.8 65.7 83 84 A E S S- 0 0 83 127,-0.1 127,-0.2 1,-0.1 126,-0.1 -0.851 105.7 -70.5-123.9 160.7 22.7 70.2 64.5 84 85 A Q >> - 0 0 29 -2,-0.3 4,-1.9 130,-0.2 3,-0.6 -0.247 44.9-130.2 -53.2 132.7 22.8 68.8 61.0 85 86 A R H 3> S+ 0 0 9 125,-0.3 4,-3.1 1,-0.2 5,-0.2 0.779 100.3 62.2 -57.9 -35.0 19.3 69.0 59.4 86 87 A G H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 109.3 41.5 -60.0 -42.7 19.1 65.4 58.2 87 88 A L H <> S+ 0 0 22 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.923 116.2 47.6 -70.5 -46.4 19.3 64.1 61.7 88 89 A V H X S+ 0 0 15 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.929 113.3 49.3 -61.6 -43.1 17.0 66.7 63.2 89 90 A N H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.862 108.0 54.7 -62.6 -36.8 14.5 66.1 60.4 90 91 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.877 105.0 52.3 -65.1 -39.6 14.8 62.3 61.0 91 92 A R H X S+ 0 0 29 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.870 108.5 52.7 -63.6 -34.7 13.9 62.8 64.7 92 93 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.886 106.0 52.3 -68.4 -38.8 10.9 64.8 63.5 93 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.932 111.0 47.4 -63.1 -43.4 9.8 62.0 61.2 94 95 A K H X S+ 0 0 37 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.929 110.0 53.7 -62.7 -42.6 9.9 59.5 64.1 95 96 A G H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -80,-0.2 0.905 110.0 47.2 -57.6 -42.0 8.0 62.0 66.2 96 97 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.924 112.4 49.1 -66.2 -43.4 5.3 62.2 63.6 97 98 A M H <>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-0.3 0.919 112.0 48.7 -62.8 -43.2 5.1 58.4 63.3 98 99 A D H ><5S+ 0 0 63 -4,-3.1 3,-1.3 1,-0.2 -1,-0.2 0.931 111.0 50.8 -60.8 -46.2 4.9 58.0 67.1 99 100 A A H 3<5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 115.3 42.2 -63.1 -29.5 2.1 60.6 67.3 100 101 A L T 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.283 111.7-116.4-102.0 10.0 0.1 58.9 64.5 101 102 A D T < 5 + 0 0 141 -3,-1.3 2,-0.6 -4,-0.3 -3,-0.2 0.852 59.7 154.7 58.6 39.0 0.7 55.3 65.8 102 103 A I < - 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