==== 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 3V1L . 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) . 11846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 71.4 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 . 1 0.4 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 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 0 120 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 135.9 -19.5 31.1 -21.9 2 5 A T > - 0 0 78 1,-0.1 4,-1.3 5,-0.0 5,-0.1 -0.803 360.0-107.9-125.1 164.4 -17.4 30.0 -24.8 3 6 A E H > S+ 0 0 45 -2,-0.3 4,-1.0 1,-0.2 3,-0.3 0.933 118.3 46.3 -53.9 -48.5 -13.6 29.7 -25.5 4 7 A S H 4 S+ 0 0 95 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.907 110.9 49.4 -67.1 -45.9 -13.7 32.8 -27.9 5 8 A S H 4 S+ 0 0 87 1,-0.2 -1,-0.2 20,-0.0 -2,-0.2 0.756 118.3 40.2 -66.4 -23.2 -15.6 35.1 -25.6 6 9 A T H < S+ 0 0 5 -4,-1.3 20,-2.6 -3,-0.3 -1,-0.2 0.534 89.4 120.8 -99.0 -9.5 -13.4 34.3 -22.6 7 10 A S E < +A 25 0A 35 -4,-1.0 2,-0.3 -3,-0.5 18,-0.2 -0.308 31.9 158.0 -67.9 133.2 -10.1 34.3 -24.5 8 11 A K E -A 24 0A 92 16,-2.8 16,-2.5 -2,-0.1 2,-0.3 -0.952 25.8-147.7-146.8 163.7 -7.3 36.7 -23.6 9 12 A F E -A 23 0A 103 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.963 12.5-178.8-131.0 147.9 -3.5 37.1 -23.9 10 13 A V E -A 22 0A 23 12,-2.0 12,-3.0 -2,-0.3 2,-0.5 -0.977 24.4-129.5-142.5 147.7 -1.0 38.7 -21.6 11 14 A K E -A 21 0A 107 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.855 28.6-152.8 -96.5 131.0 2.8 39.2 -21.9 12 15 A I E -A 20 0A 1 8,-3.0 8,-2.2 -2,-0.5 2,-0.3 -0.805 17.6-170.2-112.2 151.1 4.8 38.0 -18.9 13 16 A N E + 0 0 91 -2,-0.3 2,-0.3 80,-0.2 5,-0.2 -0.849 33.6 130.1-136.8 96.6 8.2 39.0 -17.5 14 17 A E E > S-A 17 0A 25 3,-0.8 3,-2.9 -2,-0.3 79,-0.1 -0.958 74.1 -49.6-152.3 127.2 9.5 36.8 -14.7 15 18 A K T 3 S+ 0 0 143 -2,-0.3 -1,-0.0 1,-0.3 75,-0.0 -0.174 133.1 7.0 45.3-113.7 13.0 35.2 -14.4 16 19 A G T 3 S+ 0 0 76 -3,-0.1 2,-0.4 70,-0.0 -1,-0.3 0.704 112.2 95.9 -68.7 -19.6 13.7 33.5 -17.7 17 20 A F E < -A 14 0A 18 -3,-2.9 -3,-0.8 3,-0.1 2,-0.5 -0.618 47.9-179.5 -85.1 123.9 10.5 34.9 -19.4 18 21 A S E S- 0 0 101 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.974 76.4 -29.7-123.6 113.3 10.9 38.1 -21.5 19 22 A D E S+ 0 0 97 -2,-0.5 2,-0.4 1,-0.2 -6,-0.2 0.893 88.8 176.9 40.3 55.7 7.7 39.4 -23.1 20 23 A F E -A 12 0A 22 -8,-2.2 -8,-3.0 1,-0.0 2,-0.5 -0.728 28.1-124.0 -94.2 131.2 6.5 35.8 -23.2 21 24 A N E -A 11 0A 32 -2,-0.4 54,-2.9 -10,-0.2 2,-0.5 -0.628 27.4-174.7 -85.6 120.7 2.9 35.4 -24.5 22 25 A I E -A 10 0A 0 -12,-3.0 -12,-2.0 -2,-0.5 2,-0.4 -0.961 10.2-153.3-114.0 124.6 0.5 33.5 -22.3 23 26 A H E +A 9 0A 0 -2,-0.5 44,-2.4 -14,-0.2 2,-0.3 -0.781 22.7 165.3 -91.7 138.5 -3.0 32.7 -23.4 24 27 A Y E -AB 8 66A 10 -16,-2.5 -16,-2.8 -2,-0.4 2,-0.5 -0.976 32.9-132.7-147.5 163.4 -5.8 32.3 -20.9 25 28 A N E -AB 7 65A 2 40,-2.0 40,-2.7 -2,-0.3 2,-0.4 -0.976 29.9-171.8-117.4 124.6 -9.6 32.1 -20.7 26 29 A E E + B 0 64A 23 -20,-2.6 2,-0.3 -2,-0.5 38,-0.2 -0.931 14.1 160.5-125.9 138.1 -11.2 34.3 -18.0 27 30 A A E + B 0 63A 11 36,-2.0 36,-3.1 -2,-0.4 2,-0.1 -0.977 45.4 28.5-149.7 152.0 -14.8 34.6 -16.6 28 31 A G - 0 0 34 -2,-0.3 34,-0.2 34,-0.2 29,-0.1 -0.113 59.7-126.4 89.0 173.6 -16.2 36.0 -13.4 29 32 A N + 0 0 157 28,-0.2 33,-0.2 32,-0.2 3,-0.1 0.331 69.6 91.4-144.3 10.2 -15.0 38.8 -11.2 30 33 A G S S- 0 0 31 1,-0.3 31,-0.2 27,-0.1 2,-0.1 0.220 92.8 -23.2 -85.6-149.4 -14.7 37.6 -7.5 31 34 A E S S- 0 0 119 29,-0.5 31,-2.1 1,-0.1 -1,-0.3 -0.390 80.9-104.8 -64.5 141.5 -11.7 36.0 -5.9 32 35 A T E -c 62 0A 10 70,-0.4 72,-2.3 29,-0.2 2,-0.5 -0.464 33.7-176.9 -76.5 129.9 -9.3 34.5 -8.4 33 36 A V E -cd 63 104A 0 29,-2.9 31,-2.3 -2,-0.2 2,-0.5 -0.994 12.9-158.0-118.4 117.0 -9.0 30.7 -8.9 34 37 A I E -cd 64 105A 0 70,-2.9 72,-2.6 -2,-0.5 2,-0.4 -0.883 5.5-156.4 -96.9 125.1 -6.4 29.8 -11.5 35 38 A M E -cd 65 106A 0 29,-3.1 31,-2.2 -2,-0.5 2,-0.4 -0.864 6.4-162.3-106.8 134.2 -6.8 26.3 -13.1 36 39 A L E -cd 66 107A 0 70,-2.8 72,-2.1 -2,-0.4 75,-0.2 -0.953 8.4-141.4-127.3 131.6 -3.8 24.5 -14.6 37 40 A H - 0 0 0 29,-0.6 8,-0.1 -2,-0.4 6,-0.0 -0.291 19.4 -94.4 -96.5 169.7 -3.9 21.6 -17.0 38 41 A G - 0 0 6 72,-0.2 -1,-0.2 6,-0.2 71,-0.1 -0.105 32.2-113.1 -74.2 178.3 -2.0 18.4 -17.7 39 42 A G + 0 0 7 3,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.218 65.9 122.2-105.6 12.2 0.9 17.9 -20.0 40 43 A G S > S- 0 0 5 1,-0.1 3,-2.0 2,-0.1 113,-0.1 -0.344 77.1 -78.5 -77.7 159.0 -0.3 15.5 -22.8 41 44 A P T 3 S+ 0 0 0 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.297 118.6 18.0 -60.5 133.2 -0.2 16.6 -26.4 42 45 A G T 3 S+ 0 0 10 1,-0.3 148,-0.1 148,-0.3 149,-0.1 0.375 89.4 147.1 89.9 -2.6 -3.0 19.0 -27.3 43 46 A A < + 0 0 1 -3,-2.0 29,-0.4 29,-0.1 2,-0.3 -0.235 14.2 152.8 -68.3 154.0 -3.8 20.0 -23.7 44 47 A G > - 0 0 0 1,-0.1 4,-1.4 27,-0.1 5,-0.2 -0.968 52.3 -93.8-170.8 170.7 -5.0 23.5 -22.8 45 48 A G H > S+ 0 0 0 -2,-0.3 4,-1.8 20,-0.2 21,-0.2 0.933 115.0 42.8 -64.4 -51.3 -7.0 25.5 -20.2 46 49 A W H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.947 114.7 47.5 -65.0 -51.5 -10.4 25.6 -21.9 47 50 A S H 4 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.800 116.4 46.5 -64.2 -26.3 -10.6 21.9 -23.1 48 51 A N H < S+ 0 0 6 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.822 127.1 23.3 -79.5 -32.0 -9.4 20.7 -19.6 49 52 A Y H >X S+ 0 0 0 -4,-1.8 3,-2.0 -3,-0.2 4,-1.7 0.205 78.2 114.3-125.6 14.3 -11.8 22.9 -17.5 50 53 A Y T 3< S+ 0 0 83 -4,-1.4 4,-0.5 1,-0.3 -1,-0.1 0.741 81.8 55.1 -67.8 -20.0 -14.8 23.9 -19.6 51 54 A R T 34 S+ 0 0 101 1,-0.1 -1,-0.3 -3,-0.1 222,-0.1 0.486 114.0 41.3 -83.3 -3.6 -17.1 21.8 -17.3 52 55 A N T <> S+ 0 0 0 -3,-2.0 4,-2.1 2,-0.1 5,-0.2 0.666 94.2 75.6-113.1 -24.6 -15.9 23.6 -14.3 53 56 A V H X S+ 0 0 6 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.916 97.2 47.2 -62.5 -42.9 -15.6 27.3 -15.3 54 57 A G H > S+ 0 0 18 -4,-0.5 4,-3.0 2,-0.2 5,-0.2 0.949 112.3 46.1 -65.6 -54.7 -19.4 28.0 -15.2 55 58 A P H > S+ 0 0 48 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.902 115.3 48.5 -57.5 -38.4 -20.2 26.4 -11.8 56 59 A F H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 4,-0.3 0.917 112.3 47.0 -66.8 -45.3 -17.1 28.2 -10.3 57 60 A V H ><5S+ 0 0 31 -4,-2.6 3,-1.4 1,-0.2 -28,-0.2 0.903 110.5 54.1 -61.2 -41.2 -18.1 31.6 -11.8 58 61 A D H 3<5S+ 0 0 139 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 102.2 58.0 -58.7 -34.6 -21.7 31.0 -10.5 59 62 A A T 3<5S- 0 0 20 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.559 129.6 -98.0 -75.3 -7.2 -20.2 30.4 -7.1 60 63 A G T < 5S+ 0 0 41 -3,-1.4 -29,-0.5 -4,-0.3 2,-0.2 0.603 79.6 129.6 106.6 12.1 -18.7 33.9 -7.3 61 64 A Y < - 0 0 12 -5,-2.0 2,-0.7 -31,-0.2 -1,-0.3 -0.647 58.3-126.1 -98.5 156.4 -15.1 33.3 -8.3 62 65 A R E - c 0 32A 60 -31,-2.1 -29,-2.9 -2,-0.2 2,-0.5 -0.916 33.8-154.7 -94.4 115.4 -13.1 34.8 -11.1 63 66 A V E -Bc 27 33A 0 -36,-3.1 -36,-2.0 -2,-0.7 2,-0.5 -0.840 15.2-173.9-101.5 130.8 -11.8 31.8 -13.0 64 67 A I E -Bc 26 34A 0 -31,-2.3 -29,-3.1 -2,-0.5 2,-0.8 -0.989 8.2-162.9-121.9 115.7 -8.6 31.8 -15.1 65 68 A L E -Bc 25 35A 1 -40,-2.7 -40,-2.0 -2,-0.5 2,-0.4 -0.915 22.5-154.1 -98.2 107.8 -7.9 28.8 -17.2 66 69 A K E -Bc 24 36A 0 -31,-2.2 2,-0.6 -2,-0.8 -29,-0.6 -0.711 14.5-141.9 -93.1 131.8 -4.2 29.2 -18.0 67 70 A D - 0 0 0 -44,-2.4 -44,-0.2 -2,-0.4 3,-0.1 -0.838 29.9-133.6 -81.6 119.5 -2.3 27.8 -21.0 68 71 A S > - 0 0 0 -2,-0.6 3,-1.5 1,-0.1 6,-0.3 -0.414 36.8 -78.4 -70.2 151.4 1.1 26.7 -19.7 69 72 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.247 121.7 23.5 -51.9 135.5 4.2 27.7 -21.6 70 73 A G T 3 S+ 0 0 4 5,-2.6 2,-0.4 1,-0.2 6,-0.2 0.651 107.2 99.4 78.7 17.0 4.6 25.4 -24.6 71 74 A F S X S- 0 0 4 -3,-1.5 3,-2.3 4,-0.3 -1,-0.2 -0.995 85.2 -35.9-134.9 147.7 1.0 24.4 -24.7 72 75 A N T 3 S- 0 0 27 -29,-0.4 125,-0.1 -2,-0.4 -28,-0.1 -0.175 122.9 -13.6 47.3-125.5 -2.0 25.5 -26.8 73 76 A K T 3 S+ 0 0 66 -50,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.301 109.1 103.0 -98.1 8.0 -2.0 29.2 -27.7 74 77 A S S < S- 0 0 4 -3,-2.3 -52,-0.2 -6,-0.3 -6,-0.1 -0.585 88.0 -76.4 -77.7 157.8 0.8 30.2 -25.2 75 78 A D - 0 0 62 -54,-2.9 -5,-2.6 -2,-0.2 -4,-0.3 -0.091 48.5-103.5 -55.6 148.9 4.2 30.7 -26.7 76 79 A A + 0 0 37 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.357 47.9 172.6 -64.5 148.6 6.5 27.9 -27.8 77 80 A V - 0 0 30 -8,-0.1 2,-0.5 119,-0.1 127,-0.2 -0.980 33.4-144.4-161.0 147.4 9.4 27.1 -25.4 78 81 A V - 0 0 63 -2,-0.3 2,-0.4 125,-0.1 123,-0.1 -0.986 28.4-154.8-112.6 121.6 12.2 24.7 -24.7 79 82 A M - 0 0 6 -2,-0.5 128,-0.3 121,-0.3 129,-0.2 -0.789 22.9-175.8-100.0 138.0 12.8 24.2 -21.0 80 83 A D S S+ 0 0 115 -2,-0.4 2,-0.3 127,-0.1 -1,-0.1 0.458 72.9 63.8-105.8 -2.7 16.0 23.1 -19.4 81 84 A E S S- 0 0 84 1,-0.1 127,-0.2 127,-0.1 126,-0.1 -0.767 107.2 -72.5-111.2 161.6 14.5 23.0 -15.8 82 85 A Q >> - 0 0 25 -2,-0.3 4,-1.6 130,-0.2 3,-0.7 -0.250 46.6-125.4 -51.3 133.2 11.8 20.7 -14.5 83 86 A R H 3> S+ 0 0 11 125,-0.3 4,-3.1 1,-0.2 5,-0.3 0.813 103.4 63.8 -59.4 -33.4 8.4 21.9 -16.0 84 87 A G H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 107.0 42.3 -55.3 -47.8 6.7 22.3 -12.6 85 88 A L H <> S+ 0 0 18 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.910 115.6 48.2 -65.5 -46.6 9.0 25.1 -11.6 86 89 A V H X S+ 0 0 16 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.937 112.4 49.9 -64.9 -44.7 9.1 26.9 -15.0 87 90 A N H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.884 107.6 54.4 -55.6 -43.0 5.2 26.8 -15.1 88 91 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.871 104.9 53.2 -63.2 -40.3 5.0 28.2 -11.6 89 92 A R H X S+ 0 0 35 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.881 107.7 52.3 -60.9 -38.2 7.1 31.2 -12.6 90 93 A A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.888 106.3 52.9 -64.2 -39.6 4.7 31.8 -15.5 91 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.944 112.0 45.5 -61.1 -46.5 1.7 31.7 -13.1 92 95 A K H X S+ 0 0 33 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.922 111.4 53.1 -61.5 -45.3 3.5 34.4 -11.0 93 96 A G H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -80,-0.2 0.914 111.2 46.6 -51.7 -46.7 4.3 36.3 -14.2 94 97 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.930 112.1 49.7 -63.7 -46.0 0.6 36.2 -15.1 95 98 A M H X>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.5 0.908 111.3 48.4 -64.3 -41.9 -0.5 37.3 -11.6 96 99 A D H ><5S+ 0 0 71 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.966 110.3 52.8 -60.1 -47.2 2.0 40.2 -11.5 97 100 A A H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 115.7 39.8 -57.2 -31.7 0.8 41.3 -15.0 98 101 A L H 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.319 110.4-114.2-105.2 7.7 -2.9 41.3 -13.9 99 102 A D T <<5 + 0 0 157 -3,-1.4 2,-0.7 -4,-0.5 -3,-0.2 0.882 59.7 155.3 60.2 41.0 -2.5 42.8 -10.4 100 103 A I < - 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