==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-04 1TBU . COMPND 2 MOLECULE: PEROXISOMAL ACYL-COENZYME A THIOESTER HYDROLASE . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.D.DEVEDJIEV,J.LI,U.DEREWENDA,Z.S.DEREWENDA . 387 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 45.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 0 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 0 0 0 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 . 1 0 7 1 2 1 0 4 3 4 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 1 1 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 13 A K 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.7 30.0 26.6 10.7 2 14 A I + 0 0 126 15,-0.1 15,-0.2 17,-0.0 14,-0.0 -0.138 360.0 63.5 156.4 -38.1 30.0 30.0 12.3 3 15 A L S S+ 0 0 52 12,-0.1 2,-0.5 13,-0.1 12,-0.0 -0.423 83.6 135.5 -94.1 46.7 27.9 28.3 15.1 4 16 A E - 0 0 67 13,-0.0 12,-1.7 2,-0.0 13,-0.4 -0.869 38.7-162.8-104.8 127.9 31.1 26.2 15.6 5 17 A L E -A 15 0A 26 -2,-0.5 10,-0.2 10,-0.2 -2,-0.1 -0.887 11.8-143.8-108.6 145.2 32.4 25.6 19.1 6 18 A V E -A 14 0A 61 8,-3.0 8,-2.2 -2,-0.4 2,-0.1 -0.928 23.5-129.6-101.1 120.0 35.8 24.4 20.2 7 19 A P E +A 13 0A 81 0, 0.0 6,-0.3 0, 0.0 26,-0.0 -0.385 27.8 175.5 -63.3 138.4 35.7 22.1 23.1 8 20 A L - 0 0 103 4,-3.1 5,-0.2 1,-0.4 -2,-0.0 0.486 69.3 -19.1-115.1 -15.4 38.1 23.1 25.9 9 21 A S S S- 0 0 48 3,-1.2 3,-0.5 0, 0.0 -1,-0.4 -0.916 91.6 -66.9-170.3-176.1 37.1 20.4 28.4 10 22 A P S S+ 0 0 115 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.756 133.3 20.5 -60.9 -18.6 34.2 18.0 29.0 11 23 A T S S+ 0 0 29 53,-0.0 54,-2.8 52,-0.0 2,-0.3 0.211 109.1 79.6-135.7 7.6 31.9 21.1 29.8 12 24 A S E + B 0 64A 10 -3,-0.5 -4,-3.1 52,-0.2 -3,-1.2 -0.970 46.2 174.7-134.0 143.8 33.4 24.2 28.3 13 25 A F E -AB 7 63A 6 50,-1.8 50,-3.4 -2,-0.3 2,-0.3 -0.990 13.2-155.1-149.6 135.0 33.4 25.5 24.7 14 26 A V E -AB 6 62A 20 -8,-2.2 -8,-3.0 -2,-0.3 48,-0.2 -0.879 31.9-104.1-110.7 152.5 34.7 28.7 23.0 15 27 A T E -A 5 0A 12 46,-1.6 -10,-0.2 -2,-0.3 -12,-0.1 -0.532 21.8-154.9 -71.6 139.9 33.5 30.2 19.8 16 28 A K S S+ 0 0 77 -12,-1.7 2,-0.2 -2,-0.2 -1,-0.1 0.897 78.8 34.5 -81.5 -50.5 35.8 29.5 16.9 17 29 A Y S S- 0 0 131 -13,-0.4 -15,-0.1 -15,-0.2 -13,-0.0 -0.663 103.7 -78.0-104.5 164.8 34.7 32.5 14.9 18 30 A L 0 0 128 -2,-0.2 40,-0.1 1,-0.1 42,-0.1 -0.384 360.0 360.0 -63.8 123.4 33.5 36.0 15.9 19 31 A P 0 0 34 0, 0.0 3,-0.3 0, 0.0 39,-0.2 0.896 360.0 360.0 -59.0 360.0 29.9 36.2 17.2 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 40 A T 0 0 30 0, 0.0 34,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.1 26.0 39.2 20.1 22 41 A F >> - 0 0 102 -3,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.570 360.0-132.2 -72.3 139.1 22.7 38.2 18.6 23 42 A G H 3> S+ 0 0 9 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.859 106.5 59.6 -50.7 -41.7 20.4 36.4 21.1 24 43 A G H 3> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 105.5 47.4 -63.2 -36.1 19.7 33.8 18.4 25 44 A T H <> S+ 0 0 33 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.879 110.7 52.5 -68.2 -45.3 23.4 32.9 18.2 26 45 A L H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 112.6 45.2 -53.6 -47.5 23.6 32.8 22.0 27 46 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.937 115.5 45.0 -68.3 -45.6 20.7 30.4 22.2 28 47 A S H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.874 113.7 48.3 -68.8 -42.8 21.9 28.1 19.4 29 48 A Q H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.922 111.6 51.1 -62.4 -39.8 25.5 27.9 20.5 30 49 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.893 110.3 49.4 -69.7 -33.2 24.3 27.1 24.1 31 50 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.937 111.4 48.6 -68.4 -44.5 22.0 24.3 22.7 32 51 A L H X S+ 0 0 44 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.908 110.6 51.9 -62.0 -42.7 24.9 22.8 20.6 33 52 A A H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.917 110.5 48.1 -54.9 -47.3 27.2 22.9 23.7 34 53 A S H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-0.4 0.876 103.8 61.2 -66.9 -33.8 24.6 21.1 25.8 35 54 A L H >< S+ 0 0 37 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.846 96.3 60.2 -66.6 -34.4 24.1 18.5 23.0 36 55 A H T 3< S+ 0 0 125 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.579 107.8 46.1 -59.1 -13.8 27.8 17.4 23.3 37 56 A T T < S+ 0 0 39 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.347 98.6 75.5-116.9 8.0 27.2 16.5 27.1 38 57 A V S < S- 0 0 12 -3,-0.9 4,-0.0 -4,-0.4 37,-0.0 -0.882 91.8 -94.3-123.4 142.8 24.0 14.5 26.9 39 58 A P > - 0 0 66 0, 0.0 3,-2.1 0, 0.0 -2,-0.1 -0.243 37.6-111.8 -60.9 150.2 23.7 11.0 25.7 40 59 A L T 3 S+ 0 0 160 1,-0.3 -3,-0.0 -4,-0.1 -2,-0.0 0.718 113.0 59.4 -55.0 -28.8 22.7 10.6 22.0 41 60 A N T 3 S+ 0 0 90 2,-0.0 2,-0.4 56,-0.0 -1,-0.3 0.314 87.1 92.1 -87.1 10.1 19.3 9.1 22.8 42 61 A F < - 0 0 18 -3,-2.1 55,-0.2 55,-0.2 -4,-0.1 -0.875 57.4-166.1-105.1 141.0 18.1 12.3 24.8 43 62 A F E -C 96 0A 131 53,-3.0 53,-3.0 -2,-0.4 2,-0.2 -0.953 26.4-103.9-129.6 142.2 16.3 15.1 23.0 44 63 A P E +C 95 0A 25 0, 0.0 51,-0.3 0, 0.0 3,-0.1 -0.452 30.5 177.7 -62.8 128.7 15.5 18.6 24.1 45 64 A T E - 0 0 60 49,-3.0 104,-2.3 1,-0.4 2,-0.3 0.698 69.5 -6.0 -97.0 -32.0 11.8 19.2 25.2 46 65 A S E -CD 94 148A 2 48,-1.2 48,-2.5 102,-0.2 -1,-0.4 -0.988 56.3-155.1-156.9 163.2 12.2 22.9 26.1 47 66 A L E -CD 93 147A 0 100,-2.5 100,-3.0 -2,-0.3 2,-0.4 -0.997 3.2-164.8-145.8 145.1 14.8 25.6 26.6 48 67 A H E -CD 92 146A 0 44,-2.3 44,-2.9 -2,-0.3 2,-0.4 -0.981 11.9-171.3-141.8 114.7 14.7 28.7 28.7 49 68 A S E -CD 91 145A 0 96,-2.1 96,-2.2 -2,-0.4 2,-0.4 -0.923 9.0-159.8-123.7 142.1 17.2 31.5 28.1 50 69 A Y E -CD 90 144A 2 40,-3.1 40,-2.0 -2,-0.4 2,-0.9 -0.962 13.0-144.3-127.8 123.9 17.9 34.7 30.1 51 70 A F E +C 89 0A 46 92,-2.3 38,-0.2 -2,-0.4 3,-0.1 -0.851 28.2 169.0 -95.7 101.1 19.7 37.7 28.6 52 71 A I - 0 0 44 36,-1.6 2,-0.3 -2,-0.9 37,-0.2 0.855 60.4 -4.3 -91.2 -38.3 21.8 38.9 31.4 53 72 A K S S- 0 0 113 35,-2.3 -1,-0.3 33,-0.1 33,-0.0 -0.977 84.0 -89.7-155.3 147.8 24.1 41.5 29.9 54 73 A G - 0 0 70 -2,-0.3 2,-0.2 -3,-0.1 35,-0.1 -0.271 41.8-137.8 -63.4 138.1 24.6 42.7 26.3 55 74 A G - 0 0 27 -34,-0.4 -1,-0.1 33,-0.1 -32,-0.0 -0.521 0.9-138.5 -88.5 160.7 27.2 40.9 24.2 56 75 A D > - 0 0 55 -2,-0.2 3,-1.2 4,-0.1 -34,-0.0 -0.993 5.5-150.7-116.2 137.5 29.9 42.2 21.8 57 76 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.511 91.4 71.9 -86.8 -4.9 30.4 40.3 18.6 58 77 A R T 3 S+ 0 0 229 -39,-0.2 2,-0.3 -40,-0.1 -40,-0.1 0.263 94.8 69.2 -85.0 5.3 34.0 41.3 18.4 59 78 A T S < S- 0 0 24 -3,-1.2 2,-0.1 24,-0.0 -3,-0.0 -0.942 85.9-111.1-127.6 152.4 34.7 39.0 21.4 60 79 A K - 0 0 131 -2,-0.3 2,-0.5 -42,-0.1 24,-0.3 -0.428 27.7-136.0 -76.4 152.5 34.7 35.2 21.8 61 80 A I - 0 0 0 -2,-0.1 -46,-1.6 22,-0.1 2,-0.5 -0.940 9.5-154.9-111.4 134.2 32.0 33.6 23.9 62 81 A T E -BE 14 82A 5 20,-2.5 20,-2.5 -2,-0.5 2,-0.4 -0.927 10.3-159.3-108.9 126.4 32.9 30.8 26.4 63 82 A Y E -BE 13 81A 0 -50,-3.4 -50,-1.8 -2,-0.5 2,-0.4 -0.872 4.3-165.5-109.1 136.2 30.1 28.4 27.3 64 83 A H E -BE 12 80A 17 16,-2.3 16,-2.7 -2,-0.4 2,-0.5 -0.994 9.8-149.3-124.5 126.2 30.0 26.2 30.4 65 84 A V E - E 0 79A 4 -54,-2.8 2,-0.4 -2,-0.4 14,-0.2 -0.821 15.6-171.2 -96.5 126.9 27.6 23.4 30.7 66 85 A Q E - E 0 78A 2 12,-3.1 12,-2.9 -2,-0.5 2,-0.3 -0.967 21.6-127.2-125.3 126.8 26.5 22.7 34.3 67 86 A N E + E 0 77A 29 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.580 28.8 173.2 -78.4 136.9 24.6 19.6 35.2 68 87 A L E - 0 0 3 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.751 63.3 -12.8-108.7 -46.0 21.3 20.4 37.2 69 88 A R E - E 0 76A 78 7,-1.7 7,-3.4 2,-0.0 -1,-0.3 -0.944 54.8-164.7-165.3 142.2 19.6 17.0 37.4 70 89 A N E + E 0 75A 96 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.916 16.6 150.6-122.4 151.8 19.8 13.5 35.9 71 90 A G - 0 0 44 3,-1.1 -2,-0.0 -2,-0.3 0, 0.0 -0.874 58.9 -95.0-156.3-173.9 17.5 10.5 35.8 72 91 A R S S+ 0 0 233 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.776 125.3 31.6 -77.8 -26.4 17.0 7.6 33.4 73 92 A N S S+ 0 0 84 1,-0.2 24,-1.7 23,-0.1 2,-0.3 0.685 122.4 34.4-103.7 -21.5 14.1 9.5 31.8 74 93 A F E - F 0 96A 127 22,-0.2 -3,-1.1 -32,-0.1 2,-0.4 -0.986 51.8-169.9-139.8 144.2 15.1 13.2 32.1 75 94 A I E -EF 70 95A 4 20,-1.5 20,-2.6 -2,-0.3 2,-0.5 -0.998 7.3-162.3-133.4 128.3 18.2 15.4 32.1 76 95 A H E +EF 69 94A 25 -7,-3.4 -8,-2.6 -2,-0.4 -7,-1.7 -0.969 13.9 179.9-105.9 127.2 18.4 19.1 33.1 77 96 A K E -EF 67 93A 21 16,-2.6 16,-2.6 -2,-0.5 2,-0.4 -0.905 17.8-152.0-122.1 150.1 21.3 21.2 32.1 78 97 A Q E -EF 66 92A 0 -12,-2.9 -12,-3.1 -2,-0.3 2,-0.5 -0.975 10.5-164.8-112.6 138.9 22.3 24.9 32.5 79 98 A V E -EF 65 91A 0 12,-3.2 12,-2.2 -2,-0.4 2,-0.4 -0.961 5.0-168.4-123.6 120.4 24.5 26.6 30.0 80 99 A S E -EF 64 90A 4 -16,-2.7 -16,-2.3 -2,-0.5 2,-0.4 -0.838 7.5-150.4-110.2 145.9 26.2 29.9 30.9 81 100 A A E -EF 63 89A 0 8,-3.0 7,-3.0 -2,-0.4 8,-1.2 -0.913 13.3-169.0-121.6 132.4 28.0 32.2 28.5 82 101 A Y E -EF 62 87A 4 -20,-2.5 -20,-2.5 -2,-0.4 2,-0.4 -0.930 14.1-179.2-128.1 141.9 30.9 34.5 29.4 83 102 A Q E > S- F 0 86A 8 3,-1.8 3,-1.3 -2,-0.4 -22,-0.1 -0.983 81.0 -6.4-135.9 126.3 32.7 37.3 27.8 84 103 A H T 3 S- 0 0 129 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.904 130.0 -56.6 56.5 43.4 35.7 39.0 29.5 85 104 A D T 3 S+ 0 0 91 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.766 114.4 119.1 60.2 28.8 35.0 37.0 32.7 86 105 A K E < - F 0 83A 115 -3,-1.3 -3,-1.8 305,-0.0 2,-0.3 -0.986 67.8-121.9-128.5 132.3 31.4 38.3 32.8 87 106 A L E + F 0 82A 27 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.544 37.6 164.9 -70.1 123.4 28.2 36.3 32.7 88 107 A I E + 0 0 3 -7,-3.0 -35,-2.3 1,-0.4 -36,-1.6 0.611 59.6 6.7-110.1 -16.0 26.2 37.6 29.8 89 108 A F E -CF 51 81A 0 -8,-1.2 -8,-3.0 -38,-0.2 -1,-0.4 -0.978 54.3-168.0-172.3 138.3 23.6 34.9 29.2 90 109 A T E -CF 50 80A 3 -40,-2.0 -40,-3.1 -2,-0.3 2,-0.4 -0.997 4.6-170.1-142.2 146.6 22.3 31.7 30.7 91 110 A S E -CF 49 79A 0 -12,-2.2 -12,-3.2 -2,-0.3 2,-0.5 -0.988 14.5-150.0-136.8 139.4 20.0 28.9 29.5 92 111 A M E -CF 48 78A 0 -44,-2.9 -44,-2.3 -2,-0.4 2,-0.5 -0.973 18.9-167.5-101.3 125.6 18.3 25.9 31.1 93 112 A I E -CF 47 77A 0 -16,-2.6 -16,-2.6 -2,-0.5 2,-0.4 -0.977 4.4-158.1-118.5 127.7 17.7 23.0 28.6 94 113 A L E -CF 46 76A 10 -48,-2.5 -49,-3.0 -2,-0.5 -48,-1.2 -0.898 12.0-170.2-107.9 130.6 15.4 20.1 29.5 95 114 A F E -CF 44 75A 2 -20,-2.6 -20,-1.5 -2,-0.4 2,-0.3 -0.890 7.5-161.8-122.1 151.2 15.9 16.8 27.7 96 115 A A E CF 43 74A 21 -53,-3.0 -53,-3.0 -2,-0.3 -22,-0.2 -0.956 360.0 360.0-133.8 154.3 13.8 13.6 27.6 97 116 A V 0 0 91 -24,-1.7 -55,-0.2 -2,-0.3 -24,-0.1 -0.363 360.0 360.0 -80.0 360.0 14.8 10.0 26.6 98 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 13 B K 0 0 217 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 21.1 35.9 6.8 100 14 B I + 0 0 133 3,-0.0 15,-0.2 0, 0.0 14,-0.1 -0.130 360.0 64.0 106.0 -32.1 20.0 32.3 6.1 101 15 B L S S+ 0 0 58 12,-0.1 29,-0.1 13,-0.1 0, 0.0 0.343 76.6 143.7-100.5 2.6 17.4 32.9 9.0 102 16 B E - 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