==== 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 2PUH . 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) . 11801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.3 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 . 18 6.4 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 . 95 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0.000 360.0 360.0 360.0 133.0 -19.4 30.6 -21.6 2 5 A T > - 0 0 71 1,-0.1 4,-1.4 5,-0.0 5,-0.2 -0.912 360.0-114.9-131.9 163.4 -17.3 29.7 -24.5 3 6 A E H >> S+ 0 0 44 -2,-0.3 4,-1.2 1,-0.2 3,-0.6 0.951 117.1 49.2 -57.2 -49.2 -13.6 29.3 -25.3 4 7 A S H 34 S+ 0 0 100 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.896 111.6 46.6 -57.5 -46.4 -13.9 32.2 -27.8 5 8 A S H 34 S+ 0 0 87 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.698 117.7 41.7 -77.5 -16.8 -15.6 34.6 -25.5 6 9 A T H << S+ 0 0 4 -4,-1.4 20,-2.1 -3,-0.6 -1,-0.2 0.555 85.9 122.3-100.8 -11.3 -13.3 33.9 -22.5 7 10 A S E < +A 25 0A 35 -4,-1.2 2,-0.3 -3,-0.4 18,-0.2 -0.282 32.8 162.7 -64.5 127.7 -10.1 33.9 -24.5 8 11 A K E -A 24 0A 89 16,-3.0 16,-2.5 -2,-0.1 2,-0.3 -0.944 23.6-151.3-140.2 158.6 -7.4 36.4 -23.5 9 12 A F E +A 23 0A 104 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.979 13.9 177.2-127.4 146.6 -3.6 36.9 -24.0 10 13 A V E -A 22 0A 26 12,-2.3 12,-3.1 -2,-0.3 2,-0.4 -0.991 26.0-126.8-147.1 144.3 -1.1 38.6 -21.7 11 14 A K E -A 21 0A 96 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.760 27.8-156.5 -88.6 134.0 2.7 39.2 -21.9 12 15 A I E -A 20 0A 1 8,-2.7 8,-2.5 -2,-0.4 2,-0.4 -0.870 15.5-169.4-114.6 151.2 4.7 38.1 -19.0 13 16 A N E + 0 0 100 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.944 34.3 128.3-134.4 107.5 8.1 39.1 -17.6 14 17 A E E > S-A 17 0A 43 3,-1.2 3,-3.6 -2,-0.4 -2,-0.1 -0.965 71.4 -40.9-156.9 147.1 9.5 36.9 -14.9 15 18 A K T 3 S- 0 0 143 -2,-0.3 3,-0.1 1,-0.3 78,-0.1 0.310 134.2 -1.1 -10.1 98.6 12.8 35.0 -14.2 16 19 A G T 3 S+ 0 0 85 1,-0.2 2,-0.5 73,-0.0 -1,-0.3 0.416 113.4 100.3 88.2 -1.7 13.6 33.6 -17.7 17 20 A F E < -A 14 0A 14 -3,-3.6 -3,-1.2 72,-0.1 2,-0.5 -0.980 46.6-178.1-117.4 125.0 10.5 34.9 -19.4 18 21 A S E S- 0 0 103 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.959 73.4 -29.0-129.8 111.8 10.8 38.0 -21.6 19 22 A D E S+ 0 0 94 -2,-0.5 2,-0.5 1,-0.2 -6,-0.2 0.944 90.2 175.5 49.5 53.6 7.7 39.5 -23.2 20 23 A F E -A 12 0A 21 -8,-2.5 -8,-2.7 -3,-0.1 2,-0.5 -0.829 29.0-125.1-100.8 126.9 6.4 35.9 -23.3 21 24 A N E -A 11 0A 33 -2,-0.5 54,-2.5 -10,-0.2 2,-0.5 -0.582 26.1-172.6 -80.1 120.2 2.9 35.4 -24.6 22 25 A I E -A 10 0A 0 -12,-3.1 -12,-2.3 -2,-0.5 2,-0.4 -0.952 8.1-155.6-110.2 127.4 0.5 33.6 -22.3 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.6 44,-0.3 2,-0.3 -0.797 22.9 161.7 -95.7 141.9 -3.0 32.5 -23.4 24 27 A Y E -AB 8 66A 11 -16,-2.5 -16,-3.0 -2,-0.4 2,-0.5 -0.976 34.8-130.3-150.1 161.3 -5.8 32.0 -20.8 25 28 A N E -AB 7 65A 2 40,-1.9 40,-3.3 -2,-0.3 2,-0.4 -0.981 32.0-174.9-115.3 129.7 -9.6 31.8 -20.6 26 29 A E E + B 0 64A 20 -20,-2.1 2,-0.3 -2,-0.5 38,-0.2 -0.962 14.5 153.1-132.0 140.4 -11.2 33.9 -17.9 27 30 A A E + B 0 63A 12 36,-1.8 36,-2.9 -2,-0.4 -21,-0.0 -0.976 42.4 40.7-157.0 158.8 -14.7 34.5 -16.5 28 31 A G - 0 0 35 -2,-0.3 34,-0.3 34,-0.3 29,-0.1 -0.125 59.0-128.4 87.1 171.1 -16.2 35.6 -13.2 29 32 A N + 0 0 154 28,-0.2 33,-0.2 32,-0.2 32,-0.1 0.376 69.4 83.9-144.4 4.6 -15.1 38.4 -10.9 30 33 A G S S- 0 0 31 1,-0.3 31,-0.2 30,-0.1 30,-0.1 0.193 93.6 -14.3 -90.1-146.1 -14.7 37.2 -7.3 31 34 A E S S- 0 0 116 29,-0.3 31,-2.6 1,-0.1 2,-0.3 -0.251 82.2-108.0 -55.6 137.8 -11.7 35.5 -5.6 32 35 A T E -c 62 0A 14 70,-0.4 72,-3.0 29,-0.2 2,-0.5 -0.559 33.8-176.8 -78.2 129.8 -9.3 34.2 -8.2 33 36 A V E -cd 63 104A 0 29,-3.0 31,-2.7 -2,-0.3 2,-0.6 -0.991 9.4-161.9-119.0 116.1 -8.9 30.5 -9.0 34 37 A I E -cd 64 105A 0 70,-2.8 72,-2.4 -2,-0.5 2,-0.4 -0.902 6.8-155.7-100.0 120.6 -6.2 29.7 -11.5 35 38 A M E -cd 65 106A 0 29,-2.6 31,-1.8 -2,-0.6 2,-0.4 -0.866 5.3-157.3 -98.6 134.6 -6.6 26.2 -13.0 36 39 A L E -cd 66 107A 0 70,-3.4 72,-2.5 -2,-0.4 75,-0.2 -0.937 11.0-137.4-122.3 127.3 -3.5 24.5 -14.5 37 40 A H - 0 0 0 29,-0.7 74,-0.4 -2,-0.4 8,-0.1 -0.259 20.0 -96.9 -88.1 166.8 -3.7 21.8 -17.1 38 41 A G - 0 0 6 72,-0.2 -1,-0.1 6,-0.2 71,-0.1 -0.063 31.6-113.6 -70.5 177.2 -1.8 18.4 -17.6 39 42 A G + 0 0 10 3,-0.0 3,-0.1 2,-0.0 -1,-0.1 0.178 68.5 122.2-104.4 16.7 1.2 17.9 -19.8 40 43 A G S > S- 0 0 3 1,-0.1 3,-1.9 2,-0.1 2,-0.1 -0.336 77.6 -79.6 -78.2 159.6 -0.2 15.5 -22.5 41 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.403 119.3 18.1 -60.1 132.0 -0.0 16.5 -26.2 42 45 A G T 3 S+ 0 0 10 1,-0.3 148,-0.1 148,-0.3 5,-0.1 0.338 89.7 149.8 90.6 -4.3 -2.9 19.0 -27.0 43 46 A A < + 0 0 0 -3,-1.9 29,-0.3 4,-0.1 2,-0.3 -0.248 12.3 152.0 -65.3 147.1 -3.5 19.9 -23.4 44 47 A G > - 0 0 1 1,-0.1 4,-2.3 27,-0.1 5,-0.3 -0.966 55.1 -93.9-164.6 170.7 -4.8 23.4 -22.6 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.9 20,-0.2 21,-0.2 0.935 120.2 41.0 -57.9 -54.8 -6.8 25.3 -20.0 46 49 A W H > S+ 0 0 49 19,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.944 114.1 51.9 -61.4 -52.8 -10.2 25.1 -21.8 47 50 A S H 4 S+ 0 0 32 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.910 117.0 39.1 -47.3 -50.7 -9.8 21.4 -22.9 48 51 A N H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.826 129.2 29.0 -72.0 -32.9 -9.0 20.2 -19.4 49 52 A Y H >X S+ 0 0 1 -4,-1.9 3,-2.3 -5,-0.3 4,-1.9 0.303 74.6 111.8-120.1 10.4 -11.4 22.4 -17.5 50 53 A Y T 3< S+ 0 0 76 -4,-1.7 4,-0.4 1,-0.3 -1,-0.1 0.714 82.8 55.0 -69.0 -15.8 -14.5 23.3 -19.6 51 54 A R T 34 S+ 0 0 97 -3,-0.2 -1,-0.3 -4,-0.2 222,-0.1 0.527 114.8 39.7 -84.9 -3.8 -16.7 21.2 -17.3 52 55 A N T <> S+ 0 0 0 -3,-2.3 4,-2.1 2,-0.1 5,-0.2 0.698 95.2 74.1-112.7 -31.1 -15.5 23.1 -14.2 53 56 A V H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.915 96.4 51.2 -57.6 -44.7 -15.3 26.8 -15.3 54 57 A G H > S+ 0 0 20 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.957 112.3 43.5 -58.4 -60.1 -19.1 27.3 -15.3 55 58 A P H > S+ 0 0 46 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.852 113.7 51.5 -56.3 -37.0 -19.9 26.0 -11.9 56 59 A F H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-0.3 0.910 112.7 45.3 -66.5 -41.2 -16.9 27.8 -10.3 57 60 A V H ><5S+ 0 0 31 -4,-2.5 3,-1.9 -5,-0.2 -28,-0.2 0.932 110.4 54.0 -67.1 -43.1 -18.0 31.1 -11.8 58 61 A D H 3<5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.849 104.3 58.0 -54.8 -34.6 -21.6 30.5 -10.8 59 62 A A T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.566 129.0 -98.1 -75.2 -10.6 -20.2 30.0 -7.3 60 63 A G T < 5S+ 0 0 39 -3,-1.9 -29,-0.3 1,-0.3 2,-0.2 0.514 77.8 132.6 110.2 7.8 -18.7 33.4 -7.3 61 64 A Y < - 0 0 17 -5,-2.1 2,-0.8 -31,-0.2 -1,-0.3 -0.605 57.9-126.7 -91.3 150.2 -15.1 32.8 -8.3 62 65 A R E - c 0 32A 60 -31,-2.6 -29,-3.0 -34,-0.3 2,-0.5 -0.872 35.7-157.3 -85.7 114.3 -13.0 34.5 -10.9 63 66 A V E -Bc 27 33A 0 -36,-2.9 -36,-1.8 -2,-0.8 2,-0.5 -0.829 16.3-175.6-102.0 127.1 -11.7 31.6 -13.0 64 67 A I E -Bc 26 34A 0 -31,-2.7 -29,-2.6 -2,-0.5 2,-0.9 -0.976 9.4-162.1-118.6 113.3 -8.6 31.7 -15.1 65 68 A L E -Bc 25 35A 0 -40,-3.3 -40,-1.9 -2,-0.5 2,-0.3 -0.857 23.9-156.2 -91.1 101.1 -7.8 28.6 -17.2 66 69 A K E -Bc 24 36A 0 -31,-1.8 2,-0.7 -2,-0.9 -29,-0.7 -0.591 15.4-141.2 -89.4 136.4 -4.1 29.2 -17.9 67 70 A D - 0 0 0 -44,-2.6 -44,-0.3 -2,-0.3 3,-0.1 -0.843 27.3-135.6 -87.7 119.7 -2.2 27.7 -20.9 68 71 A S > - 0 0 0 -2,-0.7 3,-1.6 1,-0.1 6,-0.3 -0.314 37.8 -77.7 -70.4 155.2 1.3 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 -0.252 120.9 24.1 -51.8 135.9 4.3 27.8 -21.6 70 73 A G T 3 S+ 0 0 3 5,-2.5 2,-0.4 1,-0.2 6,-0.2 0.653 106.9 100.1 81.1 13.5 4.8 25.4 -24.6 71 74 A F S X S- 0 0 4 -3,-1.6 3,-2.3 4,-0.3 -1,-0.2 -0.994 85.6 -39.4-130.2 149.7 1.1 24.4 -24.6 72 75 A N T 3 S- 0 0 37 -2,-0.4 -28,-0.1 -29,-0.3 125,-0.1 -0.120 122.9 -9.5 46.3-125.3 -1.9 25.4 -26.7 73 76 A K T 3 S+ 0 0 49 -50,-0.0 -1,-0.3 -4,-0.0 2,-0.2 0.344 109.8 102.1 -94.8 9.0 -2.0 29.1 -27.5 74 77 A S S < S- 0 0 3 -3,-2.3 -52,-0.2 -6,-0.3 -6,-0.1 -0.547 87.6 -79.5 -81.3 159.9 0.9 30.1 -25.2 75 78 A D - 0 0 64 -54,-2.5 -5,-2.5 -2,-0.2 -4,-0.3 -0.190 48.6-104.7 -58.1 146.1 4.3 30.7 -26.7 76 79 A A + 0 0 41 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.373 46.9 172.2 -66.2 150.4 6.6 27.8 -27.6 77 80 A V - 0 0 30 -8,-0.1 2,-0.5 -2,-0.1 127,-0.2 -0.983 32.6-142.2-159.7 147.2 9.5 27.2 -25.3 78 81 A V - 0 0 60 -2,-0.3 2,-0.5 125,-0.1 123,-0.1 -0.991 27.4-153.8-113.3 124.8 12.3 24.7 -24.6 79 82 A M - 0 0 6 -2,-0.5 128,-0.2 121,-0.3 129,-0.2 -0.871 22.4-177.4-105.4 128.8 12.8 24.2 -20.9 80 83 A D S S+ 0 0 119 -2,-0.5 2,-0.3 127,-0.1 -1,-0.1 0.483 72.9 63.4 -98.5 -5.1 16.1 23.1 -19.4 81 84 A E S S- 0 0 78 1,-0.1 127,-0.1 127,-0.1 126,-0.1 -0.766 107.3 -72.1-111.1 163.3 14.7 23.1 -15.8 82 85 A Q > - 0 0 26 -2,-0.3 4,-1.7 130,-0.2 3,-0.5 -0.243 45.2-127.5 -58.0 138.3 11.9 20.9 -14.4 83 86 A R H > S+ 0 0 9 125,-0.3 4,-3.0 1,-0.2 5,-0.2 0.746 100.5 64.9 -65.5 -29.2 8.6 22.0 -15.7 84 87 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 108.6 39.6 -57.3 -49.5 6.8 22.5 -12.4 85 88 A L H > S+ 0 0 22 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.915 116.6 48.7 -67.2 -48.4 9.1 25.3 -11.3 86 89 A V H X S+ 0 0 14 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.945 113.1 48.8 -58.9 -49.5 9.3 27.0 -14.8 87 90 A N H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.876 108.4 54.5 -54.1 -37.8 5.4 26.8 -15.0 88 91 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.910 104.5 53.3 -69.2 -39.0 5.1 28.3 -11.5 89 92 A R H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 108.3 51.9 -57.4 -40.6 7.3 31.2 -12.6 90 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.881 106.4 52.4 -65.8 -38.5 4.9 31.7 -15.5 91 94 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.927 110.8 48.5 -62.1 -41.8 1.8 31.7 -13.1 92 95 A K H X S+ 0 0 36 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.906 110.5 50.8 -66.2 -41.7 3.5 34.4 -11.0 93 96 A G H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -80,-0.2 0.871 111.0 48.9 -61.5 -38.6 4.3 36.5 -14.1 94 97 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.953 113.1 46.3 -64.0 -49.3 0.7 36.2 -15.2 95 98 A M H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.5 0.907 112.2 51.5 -60.9 -42.5 -0.6 37.2 -11.7 96 99 A D H ><5S+ 0 0 61 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.926 111.0 47.8 -59.7 -43.4 1.9 40.1 -11.6 97 100 A A H 3<5S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 116.0 43.7 -69.4 -29.0 0.7 41.3 -15.0 98 101 A L T 3<5S- 0 0 35 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.337 111.2-117.8 -97.7 4.7 -2.9 41.1 -14.1 99 102 A D T < 5 + 0 0 145 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.891 59.5 154.1 58.4 42.1 -2.5 42.7 -10.6 100 103 A I < - 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