==== 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 10-OCT-07 2RI6 . 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) . 11878.0 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 . 14 4.9 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 . 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 0.000 360.0 360.0 360.0 138.1 -19.3 31.1 -21.5 2 5 A T > - 0 0 76 1,-0.1 4,-1.4 5,-0.0 5,-0.2 -0.887 360.0-109.7-133.7 164.5 -17.3 30.0 -24.5 3 6 A E H > S+ 0 0 46 -2,-0.3 4,-1.2 1,-0.2 3,-0.3 0.930 119.4 48.3 -57.0 -46.2 -13.6 29.7 -25.3 4 7 A S H 4 S+ 0 0 100 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.906 110.8 48.2 -62.8 -45.5 -13.9 32.6 -27.7 5 8 A S H 4 S+ 0 0 86 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.751 118.4 40.4 -71.0 -20.7 -15.7 34.9 -25.4 6 9 A T H < S+ 0 0 5 -4,-1.4 20,-2.5 -3,-0.3 -1,-0.2 0.546 86.0 122.3-102.4 -11.0 -13.3 34.3 -22.4 7 10 A S E < +A 25 0A 35 -4,-1.2 2,-0.3 -3,-0.3 18,-0.2 -0.294 31.6 161.9 -63.8 132.7 -10.0 34.2 -24.4 8 11 A K E -A 24 0A 91 16,-2.7 16,-2.5 -2,-0.0 2,-0.3 -0.962 24.4-148.1-144.8 158.2 -7.3 36.7 -23.3 9 12 A F E +A 23 0A 106 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.972 14.1 178.6-127.5 146.2 -3.6 37.2 -23.8 10 13 A V E -A 22 0A 22 12,-2.2 12,-2.8 -2,-0.3 2,-0.4 -0.992 24.3-132.0-145.4 139.5 -1.0 38.8 -21.4 11 14 A K E -A 21 0A 95 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.778 28.0-156.7 -90.5 133.8 2.7 39.2 -21.7 12 15 A I E -A 20 0A 1 8,-2.6 8,-2.3 -2,-0.4 2,-0.4 -0.830 16.3-167.6-115.5 154.8 4.7 38.1 -18.7 13 16 A N E + 0 0 98 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.951 33.1 130.1-139.9 110.7 8.1 39.0 -17.3 14 17 A E E > S-A 17 0A 39 3,-1.2 3,-3.5 -2,-0.4 79,-0.1 -0.918 72.1 -37.7-165.2 137.2 9.5 36.9 -14.5 15 18 A K T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 74,-0.1 0.529 134.7 -4.8 -1.7 94.9 12.8 35.1 -14.0 16 19 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 73,-0.0 -1,-0.3 -0.171 112.6 102.1 102.4 -38.4 13.7 33.9 -17.5 17 20 A F E < +A 14 0A 19 -3,-3.5 -3,-1.2 3,-0.1 2,-0.4 -0.665 45.9 178.8 -82.5 128.7 10.5 35.0 -19.1 18 21 A S E S- 0 0 97 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.963 72.1 -24.7-135.9 114.3 10.7 38.2 -21.1 19 22 A D E S+ 0 0 95 -2,-0.4 2,-0.5 1,-0.2 -6,-0.2 0.916 90.0 172.6 50.4 47.1 7.7 39.6 -23.0 20 23 A F E -A 12 0A 22 -8,-2.3 -8,-2.6 55,-0.0 2,-0.5 -0.778 30.5-126.0 -95.8 126.7 6.4 36.0 -23.0 21 24 A N E -A 11 0A 31 -2,-0.5 54,-2.9 -10,-0.2 2,-0.5 -0.594 25.8-173.8 -81.4 122.1 2.9 35.5 -24.3 22 25 A I E -A 10 0A 0 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.4 -0.969 9.3-155.2-113.6 126.0 0.4 33.7 -22.1 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.5 44,-0.2 2,-0.3 -0.773 23.0 163.5 -93.5 141.9 -3.0 32.8 -23.3 24 27 A Y E -AB 8 66A 11 -16,-2.5 -16,-2.7 -2,-0.4 2,-0.5 -0.965 34.2-129.2-150.2 163.2 -5.8 32.2 -20.7 25 28 A N E -AB 7 65A 2 40,-1.8 40,-3.1 -2,-0.3 2,-0.4 -0.988 30.2-170.3-117.9 125.9 -9.6 32.1 -20.5 26 29 A E E + B 0 64A 26 -20,-2.5 2,-0.3 -2,-0.5 38,-0.2 -0.950 15.4 157.2-123.6 137.4 -11.2 34.3 -17.9 27 30 A A E + B 0 63A 9 36,-2.0 36,-3.0 -2,-0.4 -2,-0.0 -0.978 46.2 30.7-149.9 156.9 -14.7 34.6 -16.5 28 31 A G - 0 0 36 -2,-0.3 34,-0.3 34,-0.2 29,-0.1 -0.100 59.7-129.3 83.1 172.1 -16.2 35.9 -13.3 29 32 A N + 0 0 153 32,-0.2 33,-0.2 28,-0.2 3,-0.1 0.392 68.4 91.9-145.5 2.5 -14.9 38.7 -11.0 30 33 A G S S- 0 0 29 1,-0.3 31,-0.2 27,-0.1 32,-0.1 0.276 92.1 -20.6 -78.5-153.6 -14.7 37.5 -7.4 31 34 A E S S- 0 0 121 29,-0.4 31,-2.4 1,-0.1 -1,-0.3 -0.324 82.8-106.3 -53.3 139.2 -11.7 35.9 -5.6 32 35 A T E -c 62 0A 13 70,-0.4 72,-2.3 29,-0.2 2,-0.4 -0.507 34.4-176.3 -79.8 133.5 -9.3 34.5 -8.2 33 36 A V E -cd 63 104A 0 29,-2.9 31,-2.5 -2,-0.2 2,-0.6 -0.997 11.2-158.4-123.6 119.6 -9.0 30.7 -8.8 34 37 A I E -cd 64 105A 0 70,-2.9 72,-2.6 -2,-0.4 2,-0.4 -0.903 5.8-157.0-103.2 123.1 -6.3 29.8 -11.4 35 38 A M E -cd 65 106A 0 29,-2.8 31,-1.9 -2,-0.6 2,-0.4 -0.869 5.5-159.4-104.8 133.6 -6.8 26.4 -12.9 36 39 A L E -cd 66 107A 0 70,-3.2 72,-2.2 -2,-0.4 75,-0.2 -0.925 10.3-138.7-123.6 130.1 -3.7 24.7 -14.4 37 40 A H - 0 0 0 29,-0.7 74,-0.2 -2,-0.4 8,-0.1 -0.247 19.7 -94.4 -94.1 171.0 -3.9 21.9 -17.0 38 41 A G - 0 0 8 72,-0.2 -1,-0.1 6,-0.2 71,-0.1 -0.127 31.0-114.9 -75.3 176.2 -2.1 18.6 -17.6 39 42 A G + 0 0 11 3,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.276 66.5 123.0-102.9 11.4 0.9 18.0 -19.8 40 43 A G S > S- 0 0 9 1,-0.2 3,-2.2 2,-0.1 113,-0.1 -0.307 77.0 -79.7 -72.4 155.2 -0.4 15.7 -22.6 41 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.2 -0.306 119.1 16.6 -53.6 131.7 -0.2 16.7 -26.3 42 45 A G T 3 S+ 0 0 12 148,-0.3 148,-0.1 1,-0.2 5,-0.1 0.407 90.0 147.5 85.6 -0.7 -2.9 19.2 -27.1 43 46 A A < + 0 0 1 -3,-2.2 29,-0.4 4,-0.1 2,-0.3 -0.259 14.1 154.7 -66.3 151.4 -3.7 20.1 -23.5 44 47 A G > - 0 0 0 1,-0.1 4,-1.8 27,-0.1 -6,-0.2 -0.970 51.9 -95.2-164.9 174.7 -4.9 23.6 -22.7 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.7 20,-0.2 21,-0.2 0.945 118.9 40.6 -66.2 -53.7 -6.9 25.5 -20.1 46 49 A W H > S+ 0 0 47 19,-0.2 4,-1.4 1,-0.2 3,-0.4 0.950 115.4 53.0 -61.2 -49.6 -10.3 25.6 -21.8 47 50 A S H 4 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.857 115.0 41.1 -48.2 -44.6 -10.0 22.0 -23.0 48 51 A N H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 127.3 27.2 -81.6 -27.2 -9.2 20.7 -19.5 49 52 A Y H >X S+ 0 0 0 -4,-1.7 3,-2.3 -3,-0.4 4,-1.9 0.244 73.2 115.0-127.0 12.7 -11.6 22.8 -17.5 50 53 A Y T 3< S+ 0 0 86 -4,-1.4 4,-0.4 1,-0.3 -1,-0.1 0.695 82.6 54.9 -68.0 -15.5 -14.7 23.8 -19.5 51 54 A R T 34 S+ 0 0 90 -5,-0.1 -1,-0.3 -4,-0.1 222,-0.1 0.482 114.4 41.0 -86.7 -3.9 -16.9 21.6 -17.2 52 55 A N T <> S+ 0 0 0 -3,-2.3 4,-2.0 2,-0.1 5,-0.2 0.704 94.8 74.4-112.2 -30.6 -15.6 23.5 -14.2 53 56 A V H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.909 96.3 49.7 -57.0 -46.4 -15.5 27.2 -15.2 54 57 A G H > S+ 0 0 19 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.959 111.7 44.9 -61.0 -58.0 -19.3 27.8 -15.1 55 58 A P H > S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.862 114.1 50.0 -56.7 -34.0 -20.0 26.4 -11.7 56 59 A F H <>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-0.3 0.909 112.6 46.9 -71.3 -40.4 -17.0 28.1 -10.1 57 60 A V H ><5S+ 0 0 31 -4,-2.5 3,-1.7 -5,-0.2 -28,-0.2 0.929 110.1 53.5 -63.8 -44.5 -18.1 31.4 -11.7 58 61 A D H 3<5S+ 0 0 137 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 104.1 56.8 -54.7 -36.0 -21.7 30.8 -10.5 59 62 A A T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.541 129.5 -97.7 -76.3 -8.7 -20.2 30.3 -7.0 60 63 A G T < 5S+ 0 0 41 -3,-1.7 -29,-0.4 1,-0.3 -3,-0.2 0.517 78.5 131.2 109.1 8.3 -18.7 33.8 -7.2 61 64 A Y < - 0 0 10 -5,-2.2 2,-0.7 -31,-0.2 -1,-0.3 -0.577 57.4-126.9 -92.4 152.7 -15.1 33.1 -8.2 62 65 A R E - c 0 32A 51 -31,-2.4 -29,-2.9 -34,-0.3 2,-0.5 -0.909 34.7-155.4 -89.1 120.1 -13.0 34.8 -10.9 63 66 A V E -Bc 27 33A 0 -36,-3.0 -36,-2.0 -2,-0.7 2,-0.5 -0.857 15.5-172.9-106.5 129.7 -11.7 31.8 -12.9 64 67 A I E -Bc 26 34A 0 -31,-2.5 -29,-2.8 -2,-0.5 2,-0.9 -0.987 8.1-162.5-120.5 116.3 -8.6 31.9 -15.0 65 68 A L E -Bc 25 35A 0 -40,-3.1 -40,-1.8 -2,-0.5 2,-0.3 -0.875 23.3-157.3 -97.0 101.7 -7.9 28.8 -17.1 66 69 A K E -Bc 24 36A 0 -31,-1.9 2,-0.7 -2,-0.9 -29,-0.7 -0.636 14.9-141.1 -90.7 136.4 -4.2 29.3 -17.9 67 70 A D - 0 0 0 -44,-2.5 -44,-0.2 -2,-0.3 3,-0.1 -0.855 28.1-132.8 -87.0 119.6 -2.3 27.8 -20.8 68 71 A S > - 0 0 0 -2,-0.7 3,-1.5 1,-0.1 6,-0.3 -0.324 37.7 -77.7 -66.2 154.8 1.1 26.8 -19.5 69 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.263 121.6 23.1 -50.7 134.6 4.2 27.8 -21.5 70 73 A G T 3 S+ 0 0 4 5,-2.5 2,-0.4 1,-0.2 6,-0.2 0.666 107.3 101.6 79.3 17.1 4.7 25.5 -24.5 71 74 A F S X S- 0 0 4 -3,-1.5 3,-2.2 4,-0.3 -1,-0.2 -0.993 85.4 -40.4-134.5 144.6 1.0 24.6 -24.6 72 75 A N T 3 S- 0 0 43 -29,-0.4 -28,-0.1 -2,-0.4 125,-0.1 -0.124 122.6 -10.0 48.1-123.6 -2.0 25.6 -26.6 73 76 A K T 3 S+ 0 0 47 -50,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.396 108.8 102.1 -95.0 3.2 -2.0 29.3 -27.4 74 77 A S S < S- 0 0 4 -3,-2.2 -52,-0.2 -6,-0.3 -6,-0.1 -0.469 88.0 -78.2 -77.0 160.2 0.8 30.3 -25.0 75 78 A D - 0 0 64 -54,-2.9 -5,-2.5 -2,-0.1 -4,-0.3 -0.190 49.4-104.1 -57.9 147.2 4.2 31.0 -26.6 76 79 A A + 0 0 43 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.396 47.4 173.7 -66.9 149.7 6.5 28.1 -27.6 77 80 A V - 0 0 28 -2,-0.1 2,-0.5 119,-0.1 127,-0.2 -0.989 32.6-144.9-158.7 147.0 9.4 27.3 -25.2 78 81 A V - 0 0 59 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.994 28.1-157.2-113.6 123.0 12.2 24.9 -24.6 79 82 A M - 0 0 6 -2,-0.5 128,-0.2 121,-0.3 129,-0.2 -0.801 22.3-174.5-102.7 139.7 12.8 24.4 -20.9 80 83 A D S S+ 0 0 114 -2,-0.4 2,-0.3 127,-0.1 -1,-0.1 0.363 72.5 65.0-109.5 2.6 16.0 23.2 -19.3 81 84 A E S S- 0 0 82 1,-0.1 127,-0.2 127,-0.1 126,-0.1 -0.801 107.1 -70.6-114.8 162.6 14.6 23.1 -15.7 82 85 A Q >> - 0 0 27 -2,-0.3 4,-1.7 130,-0.2 3,-0.7 -0.271 46.6-127.9 -53.7 134.5 11.8 20.9 -14.3 83 86 A R H 3> S+ 0 0 10 125,-0.3 4,-3.0 1,-0.2 5,-0.2 0.770 102.0 63.1 -62.2 -33.7 8.5 22.0 -15.9 84 87 A G H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 108.1 43.2 -58.0 -42.6 6.6 22.4 -12.6 85 88 A L H <> S+ 0 0 18 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.942 115.1 47.2 -68.9 -48.2 9.0 25.1 -11.5 86 89 A V H X S+ 0 0 15 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.941 113.0 50.4 -60.3 -48.1 9.1 27.0 -14.8 87 90 A N H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.863 107.5 54.0 -53.1 -40.2 5.3 26.8 -15.0 88 91 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 105.3 52.5 -66.9 -39.7 5.0 28.2 -11.5 89 92 A R H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.901 108.5 52.5 -60.3 -39.0 7.2 31.2 -12.4 90 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.888 106.4 51.9 -65.6 -38.9 4.8 31.8 -15.3 91 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.928 111.1 48.0 -60.1 -44.4 1.8 31.8 -13.0 92 95 A K H X S+ 0 0 36 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.920 110.2 52.3 -62.9 -42.5 3.5 34.4 -10.8 93 96 A G H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -80,-0.2 0.891 110.7 47.9 -59.1 -42.3 4.3 36.4 -13.9 94 97 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.948 111.9 49.2 -62.6 -48.1 0.6 36.3 -14.9 95 98 A M H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 4,-0.4 0.883 111.2 49.1 -61.3 -40.5 -0.5 37.3 -11.4 96 99 A D H ><5S+ 0 0 58 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.923 111.1 50.4 -64.4 -42.9 1.9 40.2 -11.3 97 100 A A H 3<5S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.831 115.8 41.8 -63.4 -33.8 0.7 41.4 -14.7 98 101 A L T 3<5S- 0 0 37 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.318 111.8-116.6 -96.4 4.0 -3.0 41.2 -13.8 99 102 A D T < 5 + 0 0 150 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.895 58.3 156.5 58.3 44.7 -2.5 42.7 -10.3 100 103 A I < - 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