==== 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-OCT-07 2RHW . 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) . 11984.0 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 . 14 4.9 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 . 2 0.7 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 . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 33.6 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 0 1 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 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 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 0 118 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 137.2 -19.3 31.2 -21.6 2 5 A T > - 0 0 77 1,-0.1 4,-1.3 5,-0.0 5,-0.1 -0.895 360.0-109.9-131.5 165.6 -17.3 30.1 -24.6 3 6 A E H > S+ 0 0 46 -2,-0.3 4,-1.1 1,-0.2 3,-0.4 0.937 119.5 47.7 -56.1 -48.7 -13.6 29.8 -25.4 4 7 A S H 4 S+ 0 0 103 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.895 110.7 49.4 -63.0 -44.4 -13.8 32.8 -27.7 5 8 A S H 4 S+ 0 0 86 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.729 117.7 40.5 -69.7 -21.1 -15.7 35.1 -25.4 6 9 A T H < S+ 0 0 6 -4,-1.3 20,-2.5 -3,-0.4 -1,-0.2 0.545 86.0 123.1-103.8 -9.4 -13.3 34.4 -22.5 7 10 A S E < +A 25 0A 36 -4,-1.1 2,-0.3 -3,-0.4 18,-0.2 -0.308 30.7 161.6 -64.4 129.3 -10.0 34.4 -24.4 8 11 A K E -A 24 0A 91 16,-2.7 16,-2.5 -2,-0.1 2,-0.3 -0.951 23.5-149.8-142.5 157.4 -7.3 36.9 -23.3 9 12 A F E +A 23 0A 104 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.968 13.3 178.8-127.7 147.5 -3.5 37.4 -23.7 10 13 A V E -A 22 0A 22 12,-2.2 12,-2.8 -2,-0.3 2,-0.4 -0.986 24.6-130.8-147.8 138.5 -1.0 39.0 -21.4 11 14 A K E -A 21 0A 96 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.761 28.0-155.5 -88.6 133.7 2.8 39.4 -21.7 12 15 A I E -A 20 0A 1 8,-2.7 8,-2.3 -2,-0.4 2,-0.4 -0.819 16.5-168.7-113.9 155.2 4.8 38.3 -18.6 13 16 A N E + 0 0 100 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.917 33.5 130.1-141.8 104.6 8.1 39.3 -17.3 14 17 A E E > S-A 17 0A 39 3,-1.2 3,-3.0 -2,-0.4 79,-0.1 -0.903 71.9 -40.7-163.1 128.9 9.5 37.1 -14.5 15 18 A K T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 74,-0.1 0.612 134.3 -2.3 13.3 80.6 12.8 35.3 -13.9 16 19 A G T 3 S+ 0 0 85 1,-0.3 2,-0.5 73,-0.0 -1,-0.3 0.012 112.6 99.2 109.5 -26.6 13.7 33.9 -17.3 17 20 A F E < -A 14 0A 20 -3,-3.0 -3,-1.2 3,-0.1 2,-0.4 -0.830 47.2-178.1 -97.3 128.6 10.5 35.2 -19.1 18 21 A S E S- 0 0 100 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.975 73.0 -26.5-131.5 114.2 10.8 38.4 -21.1 19 22 A D E S+ 0 0 88 -2,-0.4 2,-0.5 1,-0.2 -6,-0.2 0.909 90.3 173.0 46.8 49.4 7.8 39.8 -22.9 20 23 A F E -A 12 0A 20 -8,-2.3 -8,-2.7 55,-0.0 2,-0.5 -0.780 30.3-125.8 -96.3 127.4 6.5 36.2 -23.0 21 24 A N E -A 11 0A 31 -2,-0.5 54,-3.1 -10,-0.2 2,-0.5 -0.603 25.7-173.8 -82.4 123.9 2.9 35.7 -24.3 22 25 A I E -A 10 0A 0 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.4 -0.957 9.9-153.6-113.3 126.2 0.5 33.8 -22.0 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.6 44,-0.2 2,-0.3 -0.807 22.8 165.2 -92.6 143.1 -3.0 32.9 -23.2 24 27 A Y E -AB 8 66A 11 -16,-2.5 -16,-2.7 -2,-0.4 2,-0.5 -0.967 33.3-130.9-150.6 158.9 -5.8 32.4 -20.6 25 28 A N E -AB 7 65A 2 40,-1.9 40,-3.0 -2,-0.3 2,-0.4 -0.978 29.3-169.9-113.3 126.6 -9.6 32.2 -20.5 26 29 A E E + B 0 64A 27 -20,-2.5 2,-0.3 -2,-0.5 38,-0.2 -0.946 14.7 159.0-122.8 137.8 -11.2 34.4 -17.9 27 30 A A E + B 0 63A 8 36,-1.8 36,-2.9 -2,-0.4 -21,-0.0 -0.983 46.5 26.6-149.3 152.9 -14.8 34.6 -16.5 28 31 A G - 0 0 35 -2,-0.3 34,-0.3 34,-0.2 29,-0.1 -0.136 61.2-126.8 83.5 175.6 -16.3 35.9 -13.4 29 32 A N + 0 0 154 32,-0.2 33,-0.2 28,-0.2 -1,-0.1 0.415 68.7 89.1-147.5 2.3 -15.0 38.7 -11.1 30 33 A G S S- 0 0 30 1,-0.3 31,-0.2 27,-0.1 30,-0.1 0.266 91.6 -16.8 -83.0-150.6 -14.8 37.5 -7.4 31 34 A E S S- 0 0 122 29,-0.4 31,-2.3 1,-0.1 2,-0.3 -0.295 82.4-108.5 -53.9 136.6 -11.9 35.9 -5.6 32 35 A T E -c 62 0A 14 70,-0.4 72,-2.3 29,-0.2 2,-0.4 -0.528 34.0-177.1 -81.2 132.4 -9.4 34.5 -8.2 33 36 A V E -cd 63 104A 0 29,-2.8 31,-2.5 -2,-0.3 2,-0.5 -0.999 11.6-157.9-121.9 121.2 -9.0 30.8 -8.8 34 37 A I E -cd 64 105A 0 70,-2.9 72,-2.6 -2,-0.4 2,-0.5 -0.915 5.8-156.3-102.0 124.7 -6.3 29.9 -11.3 35 38 A M E -cd 65 106A 0 29,-2.8 31,-1.9 -2,-0.5 2,-0.4 -0.890 6.0-159.1-106.8 132.4 -6.7 26.4 -12.9 36 39 A L E -cd 66 107A 0 70,-3.1 72,-2.1 -2,-0.5 75,-0.2 -0.924 10.4-139.1-121.8 126.8 -3.6 24.7 -14.3 37 40 A H - 0 0 0 29,-0.6 8,-0.1 -2,-0.4 74,-0.1 -0.308 18.1 -98.8 -90.8 168.7 -3.7 22.0 -16.9 38 41 A G - 0 0 7 72,-0.2 -1,-0.1 6,-0.2 71,-0.1 -0.098 32.7-110.0 -76.3 177.8 -1.9 18.7 -17.5 39 42 A G + 0 0 12 3,-0.0 3,-0.1 2,-0.0 -1,-0.1 0.209 66.3 127.4-102.2 14.6 1.0 18.1 -19.9 40 43 A G S > S- 0 0 20 1,-0.1 3,-2.2 2,-0.1 113,-0.0 -0.305 74.0 -80.2 -72.1 158.0 -0.5 15.9 -22.6 41 44 A P T 3 S+ 0 0 7 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.340 118.9 13.6 -57.5 130.0 -0.2 16.9 -26.3 42 45 A G T 3 S+ 0 0 11 148,-0.3 5,-0.1 1,-0.2 149,-0.1 0.441 91.5 151.3 84.0 1.5 -2.8 19.5 -27.2 43 46 A A < + 0 0 7 -3,-2.2 29,-0.3 4,-0.1 2,-0.3 -0.250 11.7 152.8 -64.0 151.8 -3.6 20.3 -23.6 44 47 A G > - 0 0 0 1,-0.1 4,-1.7 27,-0.1 -6,-0.2 -0.973 52.6 -92.9-166.4 175.7 -4.8 23.8 -22.6 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.8 20,-0.2 21,-0.2 0.956 117.5 40.3 -64.3 -57.4 -6.9 25.7 -20.1 46 49 A W H > S+ 0 0 46 19,-0.3 4,-1.5 1,-0.2 3,-0.3 0.942 115.9 50.2 -58.7 -51.7 -10.2 25.8 -21.8 47 50 A S H 4 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.855 116.1 42.5 -56.5 -36.6 -10.1 22.2 -23.1 48 51 A N H < S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.779 127.2 26.6 -83.4 -22.3 -9.2 20.8 -19.7 49 52 A Y H >X S+ 0 0 0 -4,-1.8 3,-2.2 -3,-0.3 4,-1.8 0.220 75.6 113.9-128.6 11.2 -11.6 22.9 -17.5 50 53 A Y T 3< S+ 0 0 88 -4,-1.5 4,-0.5 1,-0.3 -1,-0.1 0.732 80.9 55.9 -66.4 -17.5 -14.6 23.9 -19.5 51 54 A R T 34 S+ 0 0 91 1,-0.1 -1,-0.3 -4,-0.1 222,-0.1 0.484 114.5 41.0 -85.2 -2.3 -16.9 21.6 -17.3 52 55 A N T <> S+ 0 0 0 -3,-2.2 4,-1.9 2,-0.1 5,-0.2 0.689 94.8 74.2-112.4 -29.3 -15.6 23.5 -14.3 53 56 A V H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.914 95.3 51.6 -59.7 -45.4 -15.5 27.2 -15.2 54 57 A G H > S+ 0 0 20 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.955 110.9 44.4 -58.1 -59.8 -19.3 27.8 -15.2 55 58 A P H > S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.865 114.0 50.5 -57.7 -35.0 -20.1 26.4 -11.7 56 59 A F H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.2 0.907 112.2 47.1 -67.4 -40.3 -17.1 28.2 -10.2 57 60 A V H ><5S+ 0 0 29 -4,-2.4 3,-1.9 -5,-0.2 -28,-0.2 0.928 110.1 53.2 -64.6 -44.4 -18.1 31.5 -11.7 58 61 A D H 3<5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 104.0 57.9 -56.8 -33.6 -21.7 30.9 -10.5 59 62 A A T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.508 128.4 -99.0 -77.2 -7.8 -20.3 30.4 -7.1 60 63 A G T < 5S+ 0 0 41 -3,-1.9 -29,-0.4 1,-0.3 2,-0.2 0.541 78.7 129.8 104.6 10.3 -18.8 33.9 -7.2 61 64 A Y < - 0 0 14 -5,-2.1 2,-0.6 -31,-0.2 -1,-0.3 -0.632 58.2-126.4 -92.5 153.6 -15.2 33.2 -8.2 62 65 A R E - c 0 32A 52 -31,-2.3 -29,-2.8 -34,-0.3 2,-0.5 -0.902 33.3-154.4 -91.5 120.6 -13.1 34.8 -10.9 63 66 A V E -Bc 27 33A 0 -36,-2.9 -36,-1.8 -2,-0.6 2,-0.5 -0.857 14.4-171.7-104.2 129.2 -11.8 31.8 -12.9 64 67 A I E -Bc 26 34A 0 -31,-2.5 -29,-2.8 -2,-0.5 2,-0.8 -0.984 6.7-163.3-119.7 116.5 -8.6 32.0 -14.9 65 68 A L E -Bc 25 35A 0 -40,-3.0 -40,-1.9 -2,-0.5 2,-0.3 -0.884 22.2-157.1 -98.6 101.9 -7.8 29.0 -17.1 66 69 A K E -Bc 24 36A 0 -31,-1.9 2,-0.6 -2,-0.8 -29,-0.6 -0.635 15.2-140.7 -91.7 135.8 -4.2 29.4 -17.9 67 70 A D - 0 0 0 -44,-2.6 -44,-0.2 -2,-0.3 3,-0.1 -0.837 28.7-132.6 -86.2 120.6 -2.3 28.0 -20.8 68 71 A S > - 0 0 0 -2,-0.6 3,-1.6 1,-0.1 6,-0.3 -0.344 37.7 -78.2 -69.4 156.3 1.2 26.9 -19.5 69 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.251 121.5 23.4 -52.1 136.4 4.3 28.0 -21.5 70 73 A G T 3 S+ 0 0 4 5,-2.5 2,-0.4 1,-0.2 6,-0.1 0.661 107.2 101.1 77.6 16.4 4.7 25.7 -24.5 71 74 A F S X S- 0 0 5 -3,-1.6 3,-2.3 4,-0.3 -1,-0.2 -0.989 85.1 -39.4-134.2 147.3 1.0 24.8 -24.6 72 75 A N T 3 S- 0 0 20 -2,-0.4 -28,-0.1 -29,-0.3 125,-0.1 -0.141 122.9 -9.5 44.9-121.4 -2.0 25.8 -26.7 73 76 A K T 3 S+ 0 0 63 -50,-0.1 -1,-0.3 -4,-0.0 2,-0.1 0.393 108.8 101.3 -95.3 3.5 -2.0 29.5 -27.4 74 77 A S S < S- 0 0 5 -3,-2.3 -52,-0.2 -6,-0.3 -6,-0.1 -0.442 87.7 -76.9 -77.5 164.1 0.8 30.5 -25.0 75 78 A D - 0 0 62 -54,-3.1 -5,-2.5 -2,-0.1 -4,-0.3 -0.172 49.7-103.1 -61.3 151.1 4.3 31.2 -26.5 76 79 A A + 0 0 51 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.425 48.3 170.9 -69.8 148.1 6.6 28.3 -27.6 77 80 A V - 0 0 29 -2,-0.1 2,-0.5 -8,-0.1 127,-0.2 -0.985 33.5-144.1-160.7 145.6 9.4 27.5 -25.2 78 81 A V - 0 0 62 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.990 27.9-153.4-110.4 124.9 12.2 25.0 -24.6 79 82 A M - 0 0 5 -2,-0.5 128,-0.2 121,-0.3 129,-0.2 -0.835 22.0-175.7-103.9 134.7 12.7 24.5 -20.8 80 83 A D S S+ 0 0 118 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.442 73.1 61.6-104.2 -2.4 16.0 23.4 -19.3 81 84 A E S S- 0 0 84 1,-0.1 127,-0.2 127,-0.1 126,-0.1 -0.768 107.5 -70.7-113.9 163.6 14.6 23.2 -15.7 82 85 A Q >> - 0 0 24 -2,-0.3 4,-1.8 130,-0.2 3,-0.7 -0.289 45.7-126.7 -55.8 136.6 11.7 21.0 -14.4 83 86 A R H 3> S+ 0 0 12 125,-0.3 4,-3.1 1,-0.2 5,-0.3 0.786 102.0 64.4 -63.4 -31.5 8.4 22.2 -15.8 84 87 A G H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 108.3 40.3 -57.5 -44.6 6.7 22.5 -12.4 85 88 A L H <> S+ 0 0 18 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.933 116.3 48.7 -70.9 -46.0 9.0 25.3 -11.3 86 89 A V H X S+ 0 0 16 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.934 112.6 49.3 -61.6 -45.0 9.2 27.1 -14.7 87 90 A N H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.871 107.2 55.5 -59.1 -38.6 5.4 27.0 -14.9 88 91 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.896 104.5 52.9 -63.5 -39.8 5.1 28.4 -11.4 89 92 A R H X S+ 0 0 22 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.897 107.9 52.3 -61.3 -38.2 7.2 31.4 -12.4 90 93 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.868 106.8 51.6 -67.4 -37.0 4.8 31.9 -15.3 91 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.929 111.0 48.3 -61.1 -45.0 1.8 31.9 -12.9 92 95 A K H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 110.6 52.0 -60.9 -45.3 3.6 34.5 -10.7 93 96 A G H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.892 110.7 47.8 -56.5 -42.9 4.3 36.6 -13.9 94 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.932 111.6 49.2 -65.0 -45.4 0.7 36.4 -14.8 95 98 A M H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.5 0.912 111.3 49.3 -62.7 -42.2 -0.6 37.4 -11.4 96 99 A D H ><5S+ 0 0 60 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.927 111.7 49.3 -61.0 -44.8 1.9 40.4 -11.2 97 100 A A H 3<5S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 116.0 42.6 -63.8 -33.8 0.7 41.5 -14.7 98 101 A L H 3<5S- 0 0 36 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.364 111.3-117.8 -95.1 4.0 -3.0 41.3 -13.7 99 102 A D T <<5 + 0 0 151 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.907 57.4 156.9 58.0 45.9 -2.5 42.9 -10.2 100 103 A I < - 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