==== 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 09-MAY-07 2PUJ . 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) . 11916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 67.1 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 . 1 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 . 16 5.7 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 . 2 0.7 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 0 120 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 141.7 -19.3 30.9 -21.8 2 5 A T > - 0 0 75 1,-0.1 4,-1.3 5,-0.0 5,-0.1 -0.885 360.0-113.4-129.1 162.2 -17.2 30.0 -24.8 3 6 A E H > S+ 0 0 45 -2,-0.3 4,-0.9 1,-0.2 3,-0.3 0.920 117.8 49.5 -57.1 -45.2 -13.5 29.7 -25.5 4 7 A S H 4 S+ 0 0 98 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.902 109.8 48.4 -63.8 -44.8 -13.7 32.7 -27.9 5 8 A S H 4 S+ 0 0 86 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.748 118.5 40.4 -69.5 -23.1 -15.6 35.0 -25.5 6 9 A T H < S+ 0 0 4 -4,-1.3 20,-2.4 -3,-0.3 -1,-0.2 0.487 86.4 123.9-102.9 -6.9 -13.2 34.3 -22.6 7 10 A S E < +A 25 0A 37 -4,-0.9 2,-0.3 -3,-0.5 18,-0.2 -0.358 31.0 161.0 -67.3 127.0 -9.9 34.3 -24.6 8 11 A K E -A 24 0A 89 16,-2.9 16,-2.5 -2,-0.1 2,-0.3 -0.955 24.4-149.7-140.3 160.7 -7.2 36.7 -23.4 9 12 A F E -A 23 0A 106 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.973 12.4-180.0-130.1 145.6 -3.4 37.1 -23.8 10 13 A V E -A 22 0A 22 12,-2.4 12,-2.9 -2,-0.3 2,-0.4 -0.993 23.9-131.7-145.9 137.5 -0.8 38.7 -21.5 11 14 A K E -A 21 0A 100 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.758 28.4-154.5 -88.7 133.8 2.9 39.2 -21.8 12 15 A I E -A 20 0A 1 8,-2.7 8,-2.3 -2,-0.4 2,-0.3 -0.841 18.8-171.4-115.3 154.9 4.9 38.0 -18.8 13 16 A N + 0 0 103 -2,-0.3 2,-0.4 80,-0.2 5,-0.2 -0.814 30.7 137.4-143.2 89.1 8.3 39.0 -17.4 14 17 A E S > S- 0 0 24 3,-0.4 3,-2.8 -2,-0.3 79,-0.1 -0.979 72.5 -54.8-142.7 124.7 9.5 36.8 -14.5 15 18 A K T 3 S+ 0 0 122 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.198 132.4 8.4 45.3-110.4 13.0 35.5 -14.1 16 19 A G T 3 S+ 0 0 77 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.724 112.1 94.9 -70.1 -23.2 13.9 33.7 -17.4 17 20 A F < - 0 0 18 -3,-2.8 2,-0.5 3,-0.1 -3,-0.4 -0.564 50.2-178.5 -77.8 125.8 10.7 34.9 -19.2 18 21 A S S S- 0 0 98 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.980 73.0 -27.2-127.7 118.0 11.0 38.1 -21.3 19 22 A D S S+ 0 0 88 -2,-0.5 2,-0.5 1,-0.2 -6,-0.2 0.895 89.3 174.4 46.3 48.7 7.9 39.4 -23.0 20 23 A F E -A 12 0A 20 -8,-2.3 -8,-2.7 55,-0.0 2,-0.5 -0.773 29.5-125.0 -93.9 127.0 6.6 35.9 -23.1 21 24 A N E -A 11 0A 34 -2,-0.5 54,-2.9 -10,-0.2 2,-0.5 -0.573 26.2-173.2 -79.9 121.1 3.1 35.4 -24.4 22 25 A I E -A 10 0A 0 -12,-2.9 -12,-2.4 -2,-0.5 2,-0.4 -0.960 8.3-155.6-112.9 126.2 0.6 33.6 -22.1 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.7 44,-0.2 2,-0.3 -0.803 22.3 162.3 -94.2 141.1 -2.9 32.7 -23.3 24 27 A Y E -AB 8 66A 11 -16,-2.5 -16,-2.9 -2,-0.4 2,-0.5 -0.957 34.6-129.8-150.9 162.9 -5.7 32.2 -20.8 25 28 A N E -AB 7 65A 1 40,-1.9 40,-3.2 -2,-0.3 2,-0.4 -0.991 30.3-170.6-118.3 126.3 -9.5 32.0 -20.6 26 29 A E E + B 0 64A 32 -20,-2.4 2,-0.3 -2,-0.5 38,-0.2 -0.945 15.2 157.3-124.2 137.1 -11.1 34.2 -18.0 27 30 A A E + B 0 63A 9 36,-1.9 36,-2.8 -2,-0.4 -2,-0.0 -0.980 45.1 31.3-149.9 156.3 -14.7 34.5 -16.6 28 31 A G - 0 0 30 -2,-0.3 34,-0.2 34,-0.2 29,-0.1 -0.063 60.0-126.5 84.3 170.0 -16.2 35.8 -13.4 29 32 A N + 0 0 153 28,-0.2 33,-0.2 32,-0.2 3,-0.1 0.390 69.3 89.0-141.5 5.3 -15.0 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 0.263 92.1 -18.8 -83.6-150.9 -14.7 37.3 -7.5 31 34 A E S S- 0 0 117 29,-0.4 31,-2.5 1,-0.1 -1,-0.3 -0.337 82.3-107.3 -54.7 137.7 -11.7 35.7 -5.7 32 35 A T E -c 62 0A 14 70,-0.4 72,-2.4 29,-0.2 2,-0.5 -0.513 34.1-175.2 -79.0 131.2 -9.3 34.4 -8.3 33 36 A V E -cd 63 104A 0 29,-3.1 31,-2.5 -2,-0.3 2,-0.6 -0.992 9.9-159.4-121.0 117.5 -9.0 30.7 -9.0 34 37 A I E -cd 64 105A 0 70,-2.8 72,-2.4 -2,-0.5 2,-0.5 -0.886 5.9-157.6-100.4 123.8 -6.2 29.8 -11.4 35 38 A M E -cd 65 106A 0 29,-2.7 31,-2.0 -2,-0.6 2,-0.4 -0.884 6.0-159.9-107.5 133.2 -6.7 26.3 -13.0 36 39 A L E -cd 66 107A 0 70,-3.0 72,-1.5 -2,-0.5 75,-0.2 -0.895 8.5-138.9-122.4 133.0 -3.6 24.6 -14.5 37 40 A H - 0 0 0 29,-0.6 77,-0.2 -2,-0.4 8,-0.1 -0.350 18.2 -98.4 -96.1 170.7 -3.6 21.8 -17.0 38 41 A G - 0 0 7 72,-0.2 30,-0.2 6,-0.2 -1,-0.1 -0.090 32.5-109.7 -76.8 179.4 -1.8 18.5 -17.6 39 42 A G + 0 0 12 3,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.216 67.4 125.2-103.2 14.1 1.2 17.9 -19.9 40 43 A G S > S- 0 0 7 1,-0.1 3,-2.2 2,-0.1 113,-0.1 -0.344 74.8 -81.7 -73.7 156.9 -0.3 15.7 -22.7 41 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.347 118.3 15.2 -56.4 127.9 -0.1 16.7 -26.4 42 45 A G T 3 S+ 0 0 10 1,-0.3 148,-0.1 148,-0.2 149,-0.1 0.455 90.5 149.9 87.5 1.3 -2.8 19.2 -27.2 43 46 A A < + 0 0 4 -3,-2.2 29,-0.4 147,-0.1 2,-0.3 -0.310 12.8 154.8 -64.5 149.6 -3.6 20.1 -23.6 44 47 A G > - 0 0 0 1,-0.1 4,-1.7 27,-0.1 -6,-0.2 -0.976 51.6 -97.5-166.3 170.8 -4.8 23.5 -22.7 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.6 20,-0.2 21,-0.2 0.926 114.5 45.3 -62.5 -53.0 -6.8 25.4 -20.1 46 49 A W H > S+ 0 0 47 19,-0.2 4,-0.8 1,-0.2 3,-0.4 0.948 115.5 44.8 -59.3 -52.4 -10.2 25.6 -21.9 47 50 A S H 4 S+ 0 0 51 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.853 114.8 50.2 -63.4 -31.1 -10.4 22.0 -23.0 48 51 A N H < S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 124.6 24.7 -76.1 -28.1 -9.2 20.7 -19.6 49 52 A Y H >X S+ 0 0 0 -4,-1.6 3,-2.2 -3,-0.4 4,-2.1 0.148 77.2 118.0-126.7 18.0 -11.6 22.7 -17.5 50 53 A Y T 3< S+ 0 0 90 -4,-0.8 4,-0.5 -3,-0.3 -1,-0.1 0.750 80.7 52.7 -68.0 -19.1 -14.6 23.4 -19.7 51 54 A R T 34 S+ 0 0 102 -4,-0.2 -1,-0.3 -3,-0.1 222,-0.1 0.441 115.9 42.1 -85.7 -1.7 -16.9 21.4 -17.3 52 55 A N T <> S+ 0 0 0 -3,-2.2 4,-2.0 2,-0.1 5,-0.3 0.696 93.7 73.9-115.5 -31.3 -15.7 23.4 -14.3 53 56 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.913 97.1 50.0 -56.2 -45.3 -15.4 27.0 -15.4 54 57 A G H > S+ 0 0 20 -4,-0.5 4,-3.1 1,-0.2 5,-0.2 0.961 111.5 44.6 -61.6 -59.5 -19.2 27.7 -15.4 55 58 A P H > S+ 0 0 48 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.856 114.1 50.2 -55.6 -35.4 -20.0 26.3 -11.9 56 59 A F H <>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-0.3 0.914 112.5 46.6 -70.0 -42.8 -17.0 28.1 -10.3 57 60 A V H ><5S+ 0 0 30 -4,-2.4 3,-1.5 -5,-0.3 -28,-0.2 0.917 110.9 53.4 -60.3 -45.2 -18.0 31.4 -11.9 58 61 A D H 3<5S+ 0 0 138 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 104.6 56.4 -55.3 -36.3 -21.6 30.8 -10.8 59 62 A A T 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.545 128.9 -98.4 -75.8 -9.7 -20.3 30.3 -7.3 60 63 A G T < 5S+ 0 0 39 -3,-1.5 -29,-0.4 -4,-0.3 2,-0.2 0.567 77.6 131.3 106.7 10.5 -18.7 33.7 -7.4 61 64 A Y < - 0 0 12 -5,-2.2 2,-0.7 -31,-0.2 -1,-0.3 -0.613 57.9-125.2 -91.5 155.6 -15.1 33.1 -8.4 62 65 A R E - c 0 32A 51 -31,-2.5 -29,-3.1 -34,-0.2 2,-0.5 -0.901 35.2-156.2 -91.9 116.5 -13.0 34.7 -11.0 63 66 A V E -Bc 27 33A 0 -36,-2.8 -36,-1.9 -2,-0.7 2,-0.5 -0.816 15.5-173.7-102.9 128.1 -11.7 31.7 -13.0 64 67 A I E -Bc 26 34A 0 -31,-2.5 -29,-2.7 -2,-0.5 2,-0.8 -0.983 8.4-162.1-118.5 114.7 -8.5 31.9 -15.1 65 68 A L E -Bc 25 35A 0 -40,-3.2 -40,-1.9 -2,-0.5 2,-0.3 -0.880 23.2-156.4 -95.2 105.1 -7.8 28.8 -17.2 66 69 A K E -Bc 24 36A 0 -31,-2.0 2,-0.6 -2,-0.8 -29,-0.6 -0.665 15.7-141.2 -92.4 135.6 -4.1 29.2 -18.0 67 70 A D - 0 0 0 -44,-2.7 -44,-0.2 -2,-0.3 3,-0.1 -0.841 28.4-133.4 -86.5 120.7 -2.2 27.8 -20.9 68 71 A S > - 0 0 0 -2,-0.6 3,-1.5 -30,-0.2 6,-0.3 -0.358 38.1 -78.1 -69.9 155.7 1.2 26.7 -19.5 69 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.238 121.2 23.3 -51.7 136.3 4.3 27.7 -21.5 70 73 A G T 3 S+ 0 0 4 5,-2.7 2,-0.4 1,-0.2 6,-0.1 0.675 107.0 99.9 77.6 17.0 4.8 25.4 -24.5 71 74 A F S X S- 0 0 4 -3,-1.5 3,-2.2 4,-0.3 -1,-0.2 -0.990 86.2 -38.4-134.4 147.7 1.1 24.4 -24.6 72 75 A N T 3 S- 0 0 20 -29,-0.4 -28,-0.1 -2,-0.4 125,-0.1 -0.098 122.9 -10.3 45.3-123.9 -1.9 25.5 -26.7 73 76 A K T 3 S+ 0 0 57 -50,-0.1 -1,-0.3 -4,-0.0 2,-0.1 0.367 108.7 101.2 -95.0 6.5 -1.8 29.2 -27.4 74 77 A S S < S- 0 0 4 -3,-2.2 -52,-0.2 -6,-0.3 -6,-0.1 -0.504 87.9 -77.4 -80.2 163.4 1.0 30.2 -25.1 75 78 A D - 0 0 63 -54,-2.9 -5,-2.7 -2,-0.1 -4,-0.3 -0.143 48.7-103.9 -61.3 151.5 4.4 30.8 -26.6 76 79 A A + 0 0 43 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.441 47.2 171.2 -70.8 149.0 6.7 28.0 -27.5 77 80 A V - 0 0 31 -2,-0.1 2,-0.5 -8,-0.1 127,-0.2 -0.983 33.1-142.5-160.0 146.2 9.6 27.2 -25.2 78 81 A V - 0 0 62 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.985 28.5-153.5-108.7 124.4 12.3 24.7 -24.6 79 82 A M - 0 0 6 -2,-0.5 128,-0.2 121,-0.4 129,-0.2 -0.835 22.9-176.8-102.9 136.6 12.8 24.2 -20.8 80 83 A D S S+ 0 0 112 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.474 73.1 62.1-104.3 -5.7 16.1 23.1 -19.2 81 84 A E S S- 0 0 81 1,-0.1 127,-0.1 127,-0.1 126,-0.1 -0.751 107.4 -71.5-111.7 163.3 14.6 22.9 -15.7 82 85 A Q >> - 0 0 24 -2,-0.3 4,-1.7 130,-0.2 3,-0.5 -0.253 45.1-128.0 -54.7 138.0 11.8 20.8 -14.4 83 86 A R H 3> S+ 0 0 12 125,-0.3 4,-3.1 1,-0.2 5,-0.3 0.787 101.2 65.2 -68.3 -29.9 8.5 22.0 -15.8 84 87 A G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 108.0 40.3 -56.8 -45.0 6.7 22.3 -12.5 85 88 A L H <> S+ 0 0 20 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.924 116.4 47.9 -70.6 -45.4 9.0 25.1 -11.4 86 89 A V H X S+ 0 0 14 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.931 113.1 50.3 -62.9 -46.5 9.2 26.9 -14.8 87 90 A N H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.864 107.9 52.5 -56.0 -41.0 5.4 26.7 -15.0 88 91 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.876 105.6 54.7 -65.0 -38.5 5.0 28.2 -11.5 89 92 A R H X S+ 0 0 44 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.903 107.3 51.8 -58.9 -40.1 7.3 31.1 -12.5 90 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.886 106.0 52.9 -67.3 -39.6 4.9 31.7 -15.4 91 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.922 110.8 47.6 -57.0 -44.4 1.9 31.7 -13.0 92 95 A K H X S+ 0 0 38 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.930 110.1 52.9 -62.8 -43.8 3.6 34.4 -10.9 93 96 A G H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -80,-0.2 0.909 111.5 46.6 -56.8 -45.1 4.4 36.3 -14.1 94 97 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.922 112.3 49.0 -62.7 -45.9 0.7 36.2 -15.0 95 98 A M H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 4,-0.3 0.900 112.1 48.6 -63.5 -40.9 -0.4 37.2 -11.6 96 99 A D H ><5S+ 0 0 57 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.928 111.6 49.9 -63.3 -46.1 2.0 40.2 -11.4 97 100 A A H 3<5S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.770 116.1 42.0 -61.5 -30.5 1.0 41.4 -14.9 98 101 A L T 3<5S- 0 0 37 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.298 111.1-118.4-101.9 6.3 -2.7 41.2 -13.9 99 102 A D T < 5 + 0 0 152 -3,-1.1 2,-0.6 -4,-0.3 -3,-0.2 0.896 56.8 157.4 54.5 46.2 -2.3 42.7 -10.5 100 103 A I < - 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