==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-11 3V1M . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLA . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR S.GHOSH,J.T.BOLIN . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 69.6 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 . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 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 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 0 117 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 143.4 -19.4 30.9 -21.7 2 5 A T > - 0 0 74 1,-0.1 4,-1.4 5,-0.0 5,-0.1 -0.896 360.0-115.8-131.1 160.8 -17.2 30.1 -24.8 3 6 A E H > S+ 0 0 48 -2,-0.3 4,-1.0 1,-0.2 3,-0.2 0.922 116.8 48.6 -59.2 -44.9 -13.5 29.7 -25.4 4 7 A S H 4 S+ 0 0 98 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.900 110.0 48.3 -64.9 -45.3 -13.6 32.6 -27.8 5 8 A S H 4 S+ 0 0 84 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.757 118.9 40.8 -68.7 -22.6 -15.5 35.0 -25.6 6 9 A T H < S+ 0 0 5 -4,-1.4 20,-2.3 -3,-0.2 -1,-0.2 0.535 86.4 121.2-100.0 -9.0 -13.2 34.3 -22.6 7 10 A S E < +A 25 0A 35 -4,-1.0 2,-0.3 -3,-0.4 18,-0.2 -0.314 33.0 161.5 -68.2 130.2 -9.9 34.2 -24.5 8 11 A K E -A 24 0A 88 16,-3.0 16,-2.4 -2,-0.1 2,-0.3 -0.952 24.1-148.6-142.8 161.9 -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 -0.971 12.1-179.9-131.2 148.8 -3.5 37.1 -23.7 10 13 A V E -A 22 0A 22 12,-2.1 12,-3.0 -2,-0.3 2,-0.5 -0.989 24.6-131.4-147.7 138.7 -0.9 38.7 -21.4 11 14 A K E -A 21 0A 107 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.802 30.0-151.8 -89.2 129.4 2.9 39.2 -21.8 12 15 A I E -A 20 0A 0 8,-3.5 8,-2.2 -2,-0.5 2,-0.4 -0.783 18.1-168.8-109.3 153.4 4.8 38.1 -18.7 13 16 A N E + 0 0 93 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.885 33.3 131.5-136.5 99.1 8.1 39.1 -17.2 14 17 A E E > S-A 17 0A 35 3,-0.9 3,-2.5 -2,-0.4 79,-0.1 -0.959 72.8 -50.5-153.5 132.7 9.4 36.8 -14.4 15 18 A K T 3 S+ 0 0 161 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.098 132.7 5.3 34.2-119.4 12.9 35.3 -13.9 16 19 A G T 3 S+ 0 0 75 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.168 113.4 96.3 -78.5 20.9 13.7 33.7 -17.2 17 20 A F E < +A 14 0A 13 -3,-2.5 -3,-0.9 72,-0.1 2,-0.4 -0.953 47.1 177.6-109.6 124.9 10.6 35.0 -19.0 18 21 A S E S- 0 0 100 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.970 74.7 -24.8-128.6 120.0 10.9 38.2 -21.1 19 22 A D E S+ 0 0 90 -2,-0.4 2,-0.5 -7,-0.3 -6,-0.2 0.899 88.3 173.2 42.9 51.1 7.8 39.4 -22.9 20 23 A F E -A 12 0A 21 -8,-2.2 -8,-3.5 55,-0.0 2,-0.4 -0.769 30.1-126.6 -94.0 128.3 6.5 35.9 -22.9 21 24 A N E -A 11 0A 31 -2,-0.5 54,-2.5 -10,-0.2 2,-0.5 -0.593 25.4-172.4 -82.0 122.1 3.0 35.5 -24.2 22 25 A I E -A 10 0A 0 -12,-3.0 -12,-2.1 -2,-0.4 2,-0.4 -0.975 8.1-155.1-115.2 124.0 0.6 33.6 -22.0 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.6 44,-0.2 2,-0.3 -0.789 23.0 161.0 -91.3 141.9 -2.9 32.7 -23.2 24 27 A Y E -AB 8 66A 10 -16,-2.4 -16,-3.0 -2,-0.4 2,-0.5 -0.966 34.8-129.3-151.7 163.9 -5.7 32.2 -20.7 25 28 A N E -AB 7 65A 2 40,-2.0 40,-3.1 -2,-0.3 2,-0.4 -0.988 29.0-171.0-118.3 129.5 -9.5 32.1 -20.6 26 29 A E E + B 0 64A 33 -20,-2.3 2,-0.3 -2,-0.5 38,-0.2 -0.958 13.6 160.2-127.0 135.1 -11.2 34.2 -17.9 27 30 A A E + B 0 63A 9 36,-2.0 36,-3.0 -2,-0.4 -2,-0.0 -0.977 45.3 29.8-145.8 156.6 -14.8 34.5 -16.6 28 31 A G - 0 0 29 -2,-0.3 34,-0.2 34,-0.2 29,-0.1 -0.056 60.6-126.4 84.9 171.9 -16.4 35.8 -13.5 29 32 A N S S+ 0 0 157 28,-0.2 33,-0.2 32,-0.2 3,-0.1 0.384 70.3 84.8-141.5 7.0 -15.2 38.7 -11.2 30 33 A G S S- 0 0 32 1,-0.3 31,-0.2 27,-0.1 32,-0.1 0.221 93.0 -13.0 -88.0-147.7 -15.0 37.5 -7.5 31 34 A E S S- 0 0 112 29,-0.5 31,-2.5 30,-0.1 2,-0.3 -0.249 81.3-111.1 -51.1 134.7 -12.1 35.7 -5.8 32 35 A T E -c 62 0A 15 70,-0.4 72,-2.3 29,-0.2 2,-0.5 -0.555 32.7-176.5 -79.7 129.7 -9.5 34.4 -8.3 33 36 A V E -cd 63 104A 0 29,-2.9 31,-2.4 -2,-0.3 2,-0.5 -0.998 11.2-157.8-116.9 121.1 -9.1 30.7 -8.9 34 37 A I E -cd 64 105A 0 70,-3.1 72,-2.6 -2,-0.5 2,-0.4 -0.910 6.4-157.8-100.8 127.7 -6.4 29.8 -11.4 35 38 A M E -cd 65 106A 0 29,-2.7 31,-2.0 -2,-0.5 2,-0.4 -0.911 5.1-160.7-111.1 132.6 -6.8 26.3 -13.0 36 39 A L E -cd 66 107A 0 70,-3.1 72,-2.0 -2,-0.4 75,-0.2 -0.935 8.1-142.2-124.5 132.5 -3.7 24.6 -14.4 37 40 A H - 0 0 0 29,-0.6 8,-0.1 -2,-0.4 6,-0.0 -0.336 20.1 -96.2 -96.9 170.0 -3.8 21.7 -16.9 38 41 A G - 0 0 7 72,-0.2 -1,-0.2 6,-0.2 30,-0.2 -0.085 32.0-110.3 -77.2 179.3 -1.8 18.6 -17.5 39 42 A G + 0 0 9 3,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.165 67.3 125.8-103.4 18.5 1.2 18.0 -19.8 40 43 A G S > S- 0 0 3 1,-0.1 3,-2.2 2,-0.1 114,-0.0 -0.388 75.6 -79.2 -75.5 155.6 -0.3 15.7 -22.5 41 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.290 118.7 14.2 -54.0 128.7 -0.1 16.7 -26.2 42 45 A G T 3 S+ 0 0 10 1,-0.2 148,-0.1 148,-0.2 149,-0.1 0.427 90.4 151.3 84.2 1.4 -2.7 19.2 -27.1 43 46 A A < + 0 0 2 -3,-2.2 29,-0.4 4,-0.1 2,-0.3 -0.261 11.8 156.6 -63.9 148.2 -3.6 20.1 -23.5 44 47 A G > - 0 0 0 1,-0.1 4,-1.8 27,-0.1 5,-0.2 -0.966 50.9-100.0-162.8 169.7 -4.9 23.6 -22.6 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.9 20,-0.2 21,-0.2 0.925 114.2 47.5 -62.1 -52.8 -6.9 25.4 -19.9 46 49 A W H > S+ 0 0 47 19,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.930 115.5 42.8 -59.4 -49.9 -10.2 25.6 -21.7 47 50 A S H 4 S+ 0 0 50 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.853 115.2 50.9 -68.2 -30.8 -10.4 21.9 -22.8 48 51 A N H < S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 125.9 23.2 -72.0 -33.7 -9.1 20.7 -19.4 49 52 A Y H >X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 3,-1.8 0.118 78.3 117.6-123.0 18.6 -11.6 22.6 -17.4 50 53 A Y T 3< S+ 0 0 81 -4,-0.8 4,-0.3 -3,-0.3 -1,-0.1 0.674 80.1 54.2 -72.1 -10.3 -14.6 23.4 -19.6 51 54 A R T 34 S+ 0 0 102 -3,-0.2 -1,-0.3 -4,-0.1 222,-0.1 0.505 115.6 39.6 -88.2 -4.9 -16.9 21.4 -17.3 52 55 A N T <> S+ 0 0 0 -3,-1.8 4,-2.2 2,-0.1 5,-0.3 0.668 93.9 76.0-113.5 -26.3 -15.8 23.4 -14.2 53 56 A V H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.924 97.3 48.8 -59.9 -45.5 -15.5 27.0 -15.3 54 57 A G H > S+ 0 0 20 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.941 112.3 45.5 -59.2 -55.7 -19.3 27.7 -15.4 55 58 A P H > S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.884 113.8 49.8 -58.3 -40.9 -20.1 26.2 -11.9 56 59 A F H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.5 0.908 111.6 48.1 -64.5 -43.0 -17.1 28.0 -10.3 57 60 A V H ><5S+ 0 0 31 -4,-2.4 3,-1.4 -5,-0.3 -28,-0.2 0.922 110.1 52.8 -61.6 -42.1 -18.2 31.4 -11.9 58 61 A D H 3<5S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 103.8 57.6 -60.9 -32.3 -21.8 30.7 -10.7 59 62 A A T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.579 128.8 -98.6 -76.1 -11.3 -20.4 30.2 -7.2 60 63 A G T < 5S+ 0 0 40 -3,-1.4 -29,-0.5 -4,-0.5 2,-0.2 0.552 78.5 129.9 109.4 10.7 -18.9 33.7 -7.4 61 64 A Y < - 0 0 9 -5,-2.2 2,-0.7 -31,-0.2 -1,-0.3 -0.632 57.6-126.8 -93.7 154.8 -15.3 33.1 -8.4 62 65 A R E - c 0 32A 50 -31,-2.5 -29,-2.9 -2,-0.2 2,-0.5 -0.906 32.8-154.9 -92.0 119.9 -13.2 34.6 -11.1 63 66 A V E -Bc 27 33A 0 -36,-3.0 -36,-2.0 -2,-0.7 2,-0.5 -0.862 15.7-173.7-106.3 126.4 -11.8 31.7 -13.0 64 67 A I E -Bc 26 34A 0 -31,-2.4 -29,-2.7 -2,-0.5 2,-0.8 -0.982 8.0-162.7-114.6 113.5 -8.6 31.9 -15.0 65 68 A L E -Bc 25 35A 0 -40,-3.1 -40,-2.0 -2,-0.5 2,-0.4 -0.887 22.7-155.2 -94.6 103.2 -7.9 28.8 -17.1 66 69 A K E -Bc 24 36A 0 -31,-2.0 2,-0.6 -2,-0.8 -29,-0.6 -0.668 15.6-141.6 -90.5 133.9 -4.2 29.3 -17.9 67 70 A D - 0 0 0 -44,-2.6 -44,-0.2 -2,-0.4 3,-0.1 -0.847 28.8-135.0 -83.8 120.6 -2.2 27.8 -20.8 68 71 A S > - 0 0 0 -2,-0.6 3,-1.4 1,-0.2 6,-0.3 -0.382 37.7 -76.5 -72.2 154.5 1.2 26.8 -19.4 69 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 -0.224 121.3 23.5 -52.3 136.3 4.3 27.8 -21.4 70 73 A G T 3 S+ 0 0 3 5,-2.6 2,-0.3 1,-0.2 6,-0.1 0.669 107.0 99.6 79.2 16.6 4.8 25.4 -24.3 71 74 A F S X S- 0 0 4 -3,-1.4 3,-2.1 4,-0.3 -1,-0.2 -0.994 85.5 -37.0-134.5 146.4 1.1 24.5 -24.5 72 75 A N T 3 S- 0 0 20 -29,-0.4 -28,-0.1 -2,-0.3 125,-0.1 -0.173 122.9 -11.5 49.8-124.0 -1.9 25.6 -26.6 73 76 A K T 3 S+ 0 0 58 -50,-0.0 -1,-0.3 -4,-0.0 2,-0.2 0.346 109.4 102.0 -96.3 5.5 -1.8 29.3 -27.4 74 77 A S S < S- 0 0 3 -3,-2.1 -52,-0.2 -6,-0.3 -6,-0.1 -0.535 87.6 -77.5 -78.8 159.8 0.9 30.3 -25.0 75 78 A D - 0 0 63 -54,-2.5 -5,-2.6 -2,-0.2 -4,-0.3 -0.083 48.7-103.1 -58.1 151.9 4.4 30.8 -26.4 76 79 A A + 0 0 46 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.395 47.6 171.5 -69.9 150.2 6.7 28.0 -27.4 77 80 A V - 0 0 30 -2,-0.1 2,-0.5 119,-0.1 127,-0.2 -0.976 33.0-146.3-162.1 145.9 9.5 27.2 -25.0 78 81 A V - 0 0 57 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.995 27.7-155.3-113.2 120.0 12.3 24.6 -24.4 79 82 A M - 0 0 6 -2,-0.5 128,-0.2 121,-0.3 129,-0.2 -0.818 22.4-175.5-100.6 135.5 12.8 24.3 -20.6 80 83 A D S S+ 0 0 108 -2,-0.4 2,-0.3 127,-0.1 -1,-0.1 0.474 73.5 65.8-101.7 -5.7 16.1 23.1 -19.1 81 84 A E S S- 0 0 79 1,-0.1 127,-0.1 127,-0.1 132,-0.1 -0.737 107.4 -73.7-110.2 161.7 14.6 23.1 -15.5 82 85 A Q >> - 0 0 25 -2,-0.3 4,-1.6 130,-0.2 3,-0.6 -0.252 45.1-126.6 -56.6 138.8 11.8 20.9 -14.1 83 86 A R H 3> S+ 0 0 10 125,-0.3 4,-3.1 1,-0.2 5,-0.3 0.793 101.6 65.0 -65.2 -30.5 8.5 22.1 -15.6 84 87 A G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 107.1 41.4 -56.5 -46.5 6.7 22.5 -12.3 85 88 A L H <> S+ 0 0 23 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.908 115.8 48.5 -70.6 -44.4 9.0 25.3 -11.2 86 89 A V H X S+ 0 0 14 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.949 112.8 48.7 -62.6 -47.3 9.1 27.0 -14.6 87 90 A N H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.877 108.7 54.6 -56.7 -38.1 5.3 26.8 -14.9 88 91 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.908 104.9 52.3 -66.2 -42.8 5.0 28.2 -11.4 89 92 A R H X S+ 0 0 39 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.894 107.8 53.4 -57.3 -39.8 7.1 31.2 -12.3 90 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.858 105.3 53.0 -65.6 -36.2 4.8 31.8 -15.2 91 94 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.909 110.0 48.3 -62.9 -42.5 1.7 31.8 -12.9 92 95 A K H X S+ 0 0 40 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.921 110.5 51.7 -63.3 -44.1 3.5 34.5 -10.7 93 96 A G H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -80,-0.2 0.913 111.3 47.3 -57.7 -44.5 4.2 36.5 -13.9 94 97 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 112.7 48.8 -62.3 -45.8 0.6 36.4 -14.9 95 98 A M H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.908 112.5 47.2 -65.0 -43.1 -0.6 37.3 -11.5 96 99 A D H ><5S+ 0 0 60 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.959 112.1 51.2 -58.9 -50.8 1.8 40.3 -11.2 97 100 A A H 3<5S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.815 116.1 40.8 -55.8 -35.2 0.8 41.4 -14.7 98 101 A L T 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.332 111.6-117.0 -97.2 7.8 -3.0 41.3 -13.8 99 102 A D T < 5 + 0 0 154 -3,-1.6 2,-0.6 -4,-0.4 -3,-0.2 0.895 58.0 156.5 55.2 42.9 -2.6 42.8 -10.3 100 103 A I < - 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