==== 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 3V1K . 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 . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.6 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 . 3 0.5 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 . 43 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.6 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 3 2 2 0 0 2 0 4 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 5 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 1 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 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 0 182 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.6 48.1 -43.3 2.6 2 3 A A - 0 0 72 1,-0.1 2,-0.8 0, 0.0 0, 0.0 -0.414 360.0-123.8 -62.6 143.7 50.5 -42.8 5.4 3 4 A L + 0 0 71 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.867 52.5 141.8 -96.5 105.6 52.4 -39.5 5.2 4 5 A T > - 0 0 68 -2,-0.8 4,-1.4 1,-0.1 5,-0.1 -0.881 66.1-100.6-134.8 165.9 56.1 -40.2 5.2 5 6 A E T 4 S+ 0 0 75 -2,-0.3 4,-0.4 1,-0.2 3,-0.3 0.933 123.8 42.3 -54.2 -46.2 59.1 -38.7 3.4 6 7 A S T >4 S+ 0 0 99 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.912 109.3 54.1 -72.1 -40.7 59.0 -41.6 0.9 7 8 A S T 34 S+ 0 0 51 1,-0.3 -1,-0.2 20,-0.0 -2,-0.2 0.733 115.1 43.3 -68.5 -18.2 55.2 -41.8 0.4 8 9 A T T 3< S+ 0 0 6 -4,-1.4 20,-2.5 -3,-0.3 -1,-0.3 0.470 85.8 118.3 -99.5 -3.5 55.3 -38.1 -0.5 9 10 A S E < +A 27 0A 39 -3,-1.2 2,-0.3 -4,-0.4 18,-0.2 -0.470 35.9 158.9 -77.7 129.7 58.4 -38.1 -2.7 10 11 A K E -A 26 0A 79 16,-2.9 16,-2.7 -2,-0.2 2,-0.3 -0.941 26.5-146.0-145.3 161.5 57.8 -37.1 -6.4 11 12 A F E -A 25 0A 101 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.971 12.0-177.4-130.4 147.6 59.7 -35.8 -9.4 12 13 A V E -A 24 0A 20 12,-1.9 12,-2.6 -2,-0.3 2,-0.4 -0.984 24.0-130.4-146.0 135.5 58.7 -33.4 -12.2 13 14 A K E -A 23 0A 98 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.703 28.8-157.4 -79.8 133.4 60.7 -32.2 -15.3 14 15 A I E -A 22 0A 1 8,-2.6 8,-2.1 -2,-0.4 2,-0.3 -0.850 16.2-169.5-116.0 153.9 60.6 -28.5 -15.7 15 16 A N E + 0 0 93 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.891 32.2 133.0-138.9 100.1 61.1 -26.3 -18.7 16 17 A E E > S-A 19 0A 38 3,-1.2 3,-1.5 -2,-0.3 79,-0.1 -0.968 72.9 -52.7-154.8 135.2 61.4 -22.6 -18.0 17 18 A K T 3 S+ 0 0 150 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.044 132.8 10.2 29.4-111.8 63.9 -20.1 -19.3 18 19 A G T 3 S+ 0 0 70 -3,-0.1 2,-0.4 70,-0.0 -1,-0.3 -0.109 116.8 85.5 -84.6 36.8 67.4 -21.7 -18.5 19 20 A F E < +A 16 0A 13 -3,-1.5 -3,-1.2 -2,-0.6 2,-0.4 -0.994 48.9 173.7-132.0 124.8 65.9 -25.1 -17.5 20 21 A S E S- 0 0 90 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.976 76.3 -17.9-131.3 123.4 65.1 -27.8 -20.1 21 22 A D E S+ 0 0 95 -2,-0.4 2,-0.6 -7,-0.2 -6,-0.2 0.902 88.9 167.0 53.3 43.3 64.0 -31.2 -18.9 22 23 A F E -A 14 0A 23 -8,-2.1 -8,-2.6 55,-0.0 2,-0.5 -0.815 33.4-131.3 -98.6 121.5 65.4 -30.4 -15.5 23 24 A N E -A 13 0A 37 -2,-0.6 54,-2.6 -10,-0.2 2,-0.5 -0.642 22.0-168.8 -81.3 119.6 64.3 -32.9 -12.8 24 25 A I E -A 12 0A 0 -12,-2.6 -12,-1.9 -2,-0.5 2,-0.4 -0.932 9.9-147.9-107.9 124.2 62.9 -31.2 -9.7 25 26 A H E +A 11 0A 0 -2,-0.5 44,-2.8 44,-0.3 2,-0.3 -0.743 26.8 162.8 -87.7 141.4 62.4 -33.4 -6.6 26 27 A Y E -AB 10 68A 11 -16,-2.7 -16,-2.9 -2,-0.4 2,-0.5 -0.982 35.0-129.9-147.5 165.0 59.6 -32.5 -4.3 27 28 A N E -AB 9 67A 2 40,-2.3 40,-3.2 -2,-0.3 2,-0.4 -0.975 32.2-175.8-114.1 131.3 57.4 -33.9 -1.5 28 29 A E E + B 0 66A 21 -20,-2.5 2,-0.3 -2,-0.5 38,-0.2 -0.973 13.8 151.3-132.4 139.3 53.7 -33.5 -1.8 29 30 A A E + B 0 65A 19 36,-1.7 36,-3.0 -2,-0.4 2,-0.0 -0.972 43.0 34.1-154.7 162.9 50.6 -34.2 0.2 30 31 A G - 0 0 23 -2,-0.3 2,-0.3 34,-0.3 34,-0.3 -0.198 68.4-108.6 84.7-175.7 47.0 -32.9 0.7 31 32 A N + 0 0 139 32,-0.3 2,-0.4 28,-0.2 -2,-0.0 -0.976 64.4 22.7-150.5 155.9 44.8 -31.4 -2.0 32 33 A G S S+ 0 0 55 -2,-0.3 31,-0.1 31,-0.1 30,-0.0 -0.728 96.2 43.8 94.4-133.6 43.3 -28.1 -3.0 33 34 A E S S- 0 0 105 29,-0.4 31,-2.6 -2,-0.4 2,-0.4 -0.295 84.3-126.9 -66.2 130.8 44.7 -24.7 -2.2 34 35 A T E +c 64 0A 9 70,-0.5 72,-3.2 29,-0.2 2,-0.5 -0.631 28.4 179.9 -98.9 131.0 48.4 -24.8 -2.7 35 36 A V E -cd 65 106A 0 29,-2.7 31,-2.6 -2,-0.4 2,-0.5 -0.991 11.2-162.8-119.9 123.0 51.3 -23.9 -0.4 36 37 A I E -cd 66 107A 0 70,-2.8 72,-2.8 -2,-0.5 2,-0.5 -0.935 6.0-156.5-109.3 127.5 54.8 -24.3 -1.7 37 38 A M E -cd 67 108A 0 29,-3.1 31,-2.0 -2,-0.5 2,-0.4 -0.881 5.3-163.3-111.0 130.1 57.6 -24.4 0.9 38 39 A L E -cd 68 109A 0 70,-2.9 72,-2.2 -2,-0.5 75,-0.2 -0.948 12.2-141.2-122.0 129.6 61.1 -23.4 -0.1 39 40 A H - 0 0 0 29,-0.7 74,-0.5 -2,-0.4 8,-0.1 -0.191 19.7 -84.6 -90.7 176.4 64.2 -24.3 1.9 40 41 A G - 0 0 6 72,-0.2 -1,-0.2 6,-0.2 71,-0.1 -0.082 30.8-117.4 -74.1 172.9 67.5 -22.7 3.0 41 42 A G + 0 0 5 3,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.272 67.5 118.3-103.7 7.0 70.8 -22.7 1.2 42 43 A G S > S- 0 0 5 1,-0.1 3,-2.1 2,-0.1 113,-0.1 -0.314 78.8 -76.1 -73.0 157.8 73.1 -24.6 3.6 43 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.302 118.4 12.4 -57.1 134.2 74.8 -27.8 2.6 44 45 A G T 3 S+ 0 0 8 1,-0.3 148,-0.2 148,-0.2 5,-0.1 0.485 90.2 148.9 74.6 7.8 72.5 -30.7 2.6 45 46 A A < + 0 0 0 -3,-2.1 29,-0.4 147,-0.1 2,-0.3 -0.333 13.4 153.9 -65.5 155.9 69.3 -28.6 2.8 46 47 A G > - 0 0 1 1,-0.1 4,-2.0 27,-0.1 5,-0.2 -0.959 53.7 -91.0-170.2 174.2 66.2 -29.8 1.2 47 48 A G H > S+ 0 0 0 -2,-0.3 4,-2.0 2,-0.2 21,-0.2 0.918 119.8 41.9 -63.9 -53.2 62.4 -29.6 1.4 48 49 A W H > S+ 0 0 39 19,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.959 113.3 53.1 -57.0 -53.1 61.7 -32.5 3.8 49 50 A S H 4 S+ 0 0 32 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.854 117.0 38.5 -55.1 -39.5 64.6 -31.7 6.1 50 51 A N H < S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.783 128.6 28.9 -77.0 -33.3 63.5 -28.1 6.5 51 52 A Y H >X S+ 0 0 0 -4,-2.0 3,-2.1 -5,-0.2 4,-1.7 0.336 75.2 111.9-121.5 11.1 59.7 -28.6 6.7 52 53 A Y T 3< S+ 0 0 78 -4,-1.9 4,-0.5 1,-0.3 -1,-0.1 0.722 82.6 54.6 -63.3 -20.4 59.0 -32.1 8.1 53 54 A R T 34 S+ 0 0 86 -3,-0.2 -1,-0.3 -5,-0.2 222,-0.1 0.529 113.6 41.9 -86.7 -7.5 57.5 -30.5 11.2 54 55 A N T <> S+ 0 0 0 -3,-2.1 4,-2.1 2,-0.1 5,-0.2 0.719 94.2 75.5-105.4 -28.9 55.1 -28.4 9.2 55 56 A V H X S+ 0 0 8 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.912 93.7 51.0 -59.1 -47.6 53.8 -30.6 6.5 56 57 A G H > S+ 0 0 31 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.928 113.0 43.4 -57.2 -52.9 51.4 -32.7 8.7 57 58 A P H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.875 113.6 50.3 -63.9 -38.5 49.6 -29.7 10.2 58 59 A F H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 -2,-0.2 0.905 113.6 46.2 -64.7 -40.9 49.3 -27.7 7.0 59 60 A V H ><5S+ 0 0 36 -4,-2.4 3,-2.1 -5,-0.2 -28,-0.2 0.947 112.2 50.8 -65.1 -46.8 47.8 -30.8 5.2 60 61 A D H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 102.9 60.0 -61.7 -29.6 45.5 -31.4 8.1 61 62 A A T 3<5S- 0 0 19 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.528 129.6 -96.3 -76.3 -2.7 44.4 -27.8 7.9 62 63 A G T < 5S+ 0 0 49 -3,-2.1 -29,-0.4 1,-0.3 2,-0.3 0.671 80.3 130.5 103.4 20.1 43.2 -28.6 4.3 63 64 A Y < - 0 0 12 -5,-1.9 2,-0.6 -31,-0.1 -1,-0.3 -0.709 58.1-127.2-103.2 154.6 46.2 -27.4 2.2 64 65 A R E - c 0 34A 52 -31,-2.6 -29,-2.7 -34,-0.3 2,-0.4 -0.928 36.0-155.5 -90.7 120.1 48.0 -29.1 -0.6 65 66 A V E -Bc 29 35A 1 -36,-3.0 -36,-1.7 -2,-0.6 2,-0.5 -0.842 15.3-171.2-107.8 131.6 51.6 -28.9 0.5 66 67 A I E -Bc 28 36A 0 -31,-2.6 -29,-3.1 -2,-0.4 2,-0.8 -0.967 5.6-166.3-121.2 114.4 54.6 -28.9 -1.8 67 68 A L E -Bc 27 37A 0 -40,-3.2 -40,-2.3 -2,-0.5 2,-0.4 -0.875 22.0-157.9 -96.8 102.7 58.1 -29.1 -0.2 68 69 A K E -Bc 26 38A 0 -31,-2.0 -29,-0.7 -2,-0.8 2,-0.6 -0.685 15.8-142.5 -92.1 133.8 60.3 -28.3 -3.2 69 70 A D - 0 0 0 -44,-2.8 -44,-0.3 -2,-0.4 3,-0.1 -0.842 31.0-131.8 -85.8 118.5 64.0 -29.2 -3.5 70 71 A S > - 0 0 0 -2,-0.6 3,-1.6 1,-0.1 6,-0.3 -0.321 36.1 -77.1 -67.2 157.5 65.6 -26.2 -5.2 71 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.276 121.5 20.7 -54.2 134.8 67.9 -26.7 -8.2 72 73 A G T 3 S+ 0 0 4 5,-2.5 2,-0.3 1,-0.3 6,-0.1 0.699 106.9 103.5 74.9 19.3 71.3 -27.9 -7.1 73 74 A F S X S- 0 0 4 -3,-1.6 3,-2.3 4,-0.3 -1,-0.3 -0.985 84.7 -40.9-132.0 144.9 70.0 -29.2 -3.7 74 75 A N T 3 S- 0 0 22 -29,-0.4 -28,-0.1 -2,-0.3 125,-0.1 -0.080 122.8 -9.2 48.0-121.8 69.3 -32.6 -2.4 75 76 A K T 3 S+ 0 0 80 -50,-0.0 -1,-0.3 -4,-0.0 2,-0.1 0.404 108.6 101.2 -95.0 -0.1 67.5 -34.8 -5.0 76 77 A S S < S- 0 0 5 -3,-2.3 -52,-0.2 -6,-0.3 -6,-0.1 -0.422 87.2 -77.9 -73.5 163.0 66.9 -32.2 -7.6 77 78 A D - 0 0 60 -54,-2.6 -5,-2.5 1,-0.1 -4,-0.3 -0.192 50.3-101.8 -63.2 155.6 69.2 -32.0 -10.6 78 79 A A + 0 0 48 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.407 43.8 171.3 -78.4 149.7 72.7 -30.5 -10.5 79 80 A V - 0 0 30 -2,-0.1 2,-0.6 119,-0.1 127,-0.2 -0.964 32.5-148.0-159.4 139.0 73.4 -27.0 -11.8 80 81 A V - 0 0 63 -2,-0.3 2,-0.3 125,-0.1 123,-0.1 -0.986 32.5-153.5-100.8 119.1 76.1 -24.4 -11.9 81 82 A M - 0 0 7 -2,-0.6 128,-0.3 121,-0.3 129,-0.2 -0.711 23.5-172.2 -94.1 143.1 74.3 -21.0 -12.0 82 83 A D S S+ 0 0 109 -2,-0.3 2,-0.3 127,-0.1 -1,-0.1 0.363 72.0 60.4-111.5 4.9 75.7 -17.8 -13.5 83 84 A E S S- 0 0 77 127,-0.1 127,-0.2 1,-0.1 126,-0.1 -0.844 105.6 -66.6-125.0 166.9 72.9 -15.6 -12.2 84 85 A Q >> - 0 0 30 -2,-0.3 4,-1.6 130,-0.2 3,-0.6 -0.202 45.0-132.1 -59.5 134.4 71.6 -14.7 -8.7 85 86 A R H 3> S+ 0 0 10 125,-0.3 4,-2.7 1,-0.2 5,-0.2 0.755 98.9 63.7 -67.9 -28.2 70.1 -17.8 -7.1 86 87 A G H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 108.8 41.4 -59.0 -45.0 66.9 -16.2 -5.9 87 88 A L H <> S+ 0 0 25 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.917 114.7 49.4 -72.0 -43.7 65.8 -15.5 -9.4 88 89 A V H X S+ 0 0 13 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.941 112.1 50.0 -64.1 -44.1 66.9 -18.8 -10.9 89 90 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.871 107.3 54.1 -59.5 -37.9 65.1 -20.6 -8.1 90 91 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.896 105.1 53.9 -66.3 -37.7 62.0 -18.6 -8.8 91 92 A R H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.915 108.7 50.0 -57.8 -42.8 62.1 -19.7 -12.4 92 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.876 108.6 51.6 -66.2 -37.2 62.2 -23.3 -11.2 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.934 112.1 46.5 -63.4 -44.7 59.2 -22.7 -8.9 94 95 A K H X S+ 0 0 39 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.910 111.2 52.8 -62.1 -41.7 57.3 -21.3 -11.8 95 96 A G H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -80,-0.2 0.889 109.7 48.5 -59.9 -40.3 58.4 -24.2 -14.0 96 97 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.883 110.8 50.3 -70.2 -35.9 57.1 -26.7 -11.4 97 98 A M H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.5 0.940 111.6 47.6 -67.7 -45.4 53.8 -24.9 -11.2 98 99 A D H ><5S+ 0 0 64 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.958 113.0 49.4 -57.6 -48.0 53.4 -24.9 -15.0 99 100 A A H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 115.5 42.5 -63.8 -32.7 54.3 -28.6 -15.1 100 101 A L H 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.380 111.2-118.0 -95.1 5.5 51.8 -29.6 -12.3 101 102 A D T <<5 + 0 0 141 -3,-1.4 2,-0.6 -4,-0.5 -3,-0.2 0.810 58.6 155.2 62.8 35.8 49.0 -27.3 -13.6 102 103 A I < - 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