==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-09 3HLK . COMPND 2 MOLECULE: ACYL-COENZYME A THIOESTERASE 2, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.R.MANDEL,B.TWEEL,L.TONG . 819 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 77 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 0 0 2 0 0 0 0 3 2 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 4 4 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 . 7 10 2 2 2 1 3 2 2 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 . 1 5 1 0 0 2 2 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 58 A R 0 0 294 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.7 112.4 61.2 47.4 2 59 A V - 0 0 131 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.247 360.0 -91.2 -62.7 152.1 110.1 59.1 45.1 3 60 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.181 50.5 -87.7 -60.9 160.0 108.3 60.9 42.2 4 61 A A - 0 0 95 1,-0.1 3,-0.1 -3,-0.1 0, 0.0 -0.266 57.3 -84.3 -61.9 156.1 104.8 62.4 42.8 5 62 A R - 0 0 248 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.269 52.0-100.5 -57.3 147.2 101.9 60.1 42.1 6 63 A X - 0 0 175 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.319 51.6 -81.4 -66.6 158.2 100.7 59.8 38.5 7 64 A A - 0 0 81 1,-0.1 -1,-0.1 -3,-0.1 24,-0.1 -0.088 53.6 -89.0 -56.4 155.5 97.6 61.9 37.4 8 65 A A - 0 0 18 117,-0.4 2,-0.3 22,-0.1 22,-0.2 -0.303 43.6-151.6 -60.6 156.6 94.1 60.7 38.1 9 66 A T E -A 29 0A 69 20,-2.4 20,-2.5 117,-0.1 2,-0.4 -0.988 8.2-135.6-136.6 136.3 92.5 58.5 35.4 10 67 A L E -A 28 0A 23 -2,-0.3 2,-0.4 117,-0.3 18,-0.2 -0.837 20.0-166.4 -93.2 135.2 88.8 58.0 34.4 11 68 A I E -A 27 0A 60 16,-3.1 16,-2.4 -2,-0.4 2,-0.4 -0.985 3.1-166.4-122.2 126.8 87.7 54.4 33.8 12 69 A L E -A 26 0A 19 -2,-0.4 14,-0.2 14,-0.2 3,-0.0 -0.916 15.8-127.9-114.6 143.9 84.5 53.5 32.0 13 70 A E E S+A 25 0A 124 12,-2.1 12,-3.3 -2,-0.4 2,-0.1 -0.985 106.2 34.0-127.4 120.6 82.6 50.2 31.7 14 71 A P S S- 0 0 53 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.514 83.8-172.3 -71.2 145.2 81.9 49.5 29.0 15 72 A A + 0 0 93 -2,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.792 67.6 41.8 -74.6 -32.0 85.2 51.0 27.8 16 73 A G S S- 0 0 53 1,-0.2 2,-0.5 114,-0.1 115,-0.1 0.320 110.4 -1.1 -94.7-136.4 84.5 50.7 24.1 17 74 A R - 0 0 195 115,-0.1 2,-0.5 1,-0.0 -1,-0.2 -0.361 60.9-178.7 -74.7 111.3 81.4 51.2 21.9 18 75 A C E -c 132 0B 0 113,-0.8 115,-2.5 -2,-0.5 2,-0.1 -0.866 20.3-134.4-109.9 129.2 78.3 52.2 23.9 19 76 A C E > -c 133 0B 9 -2,-0.5 3,-1.9 113,-0.2 115,-0.2 -0.485 27.3-111.7 -75.7 155.3 74.9 52.9 22.3 20 77 A W T 3 S+ 0 0 0 113,-2.8 114,-0.1 1,-0.3 -1,-0.1 0.777 117.4 51.2 -54.1 -32.7 72.9 55.9 23.3 21 78 A D T 3 S+ 0 0 16 112,-0.3 -1,-0.3 2,-0.1 350,-0.1 0.321 94.2 95.0 -91.1 7.7 70.3 53.8 25.1 22 79 A E S < S- 0 0 64 -3,-1.9 2,-0.1 348,-0.1 -4,-0.0 -0.842 73.4-120.7-107.4 137.3 72.9 51.9 27.2 23 80 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.376 24.3-159.4 -68.8 146.4 74.1 52.6 30.7 24 81 A V - 0 0 1 -2,-0.1 2,-0.6 58,-0.1 -9,-0.0 -0.951 11.7-137.4-124.7 146.0 77.8 53.3 31.4 25 82 A R E -A 13 0A 77 -12,-3.3 -12,-2.1 -2,-0.3 2,-0.4 -0.941 21.0-160.0-107.1 122.3 79.6 53.0 34.7 26 83 A I E +A 12 0A 2 -2,-0.6 41,-3.0 56,-0.2 2,-0.3 -0.866 14.5 170.5-108.4 130.2 82.1 55.8 35.4 27 84 A A E -AB 11 66A 10 -16,-2.4 -16,-3.1 -2,-0.4 2,-0.4 -0.966 17.8-157.1-135.5 153.8 84.9 55.6 37.8 28 85 A V E -AB 10 65A 0 37,-2.5 37,-2.7 -2,-0.3 2,-0.3 -0.995 13.2-173.6-126.8 134.2 87.9 57.8 38.7 29 86 A R E +A 9 0A 132 -20,-2.5 -20,-2.4 -2,-0.4 35,-0.2 -0.920 58.3 45.5-124.5 154.8 91.1 56.5 40.3 30 87 A G S S+ 0 0 51 32,-0.4 34,-0.1 -2,-0.3 2,-0.1 0.637 73.0 132.5 89.3 17.8 94.1 58.3 41.6 31 88 A L - 0 0 16 32,-2.1 -1,-0.3 -3,-0.2 3,-0.1 -0.455 66.8 -88.8 -81.3 171.2 92.4 61.2 43.5 32 89 A A > - 0 0 49 -2,-0.1 3,-1.9 1,-0.1 27,-0.2 -0.431 59.0 -81.3 -72.8 154.9 93.4 62.1 47.0 33 90 A P T 3 S- 0 0 86 0, 0.0 28,-0.3 0, 0.0 -1,-0.1 -0.403 115.2 -2.3 -58.9 131.3 91.6 60.3 49.9 34 91 A E T 3 S+ 0 0 118 26,-2.4 27,-0.1 1,-0.2 26,-0.1 0.638 91.2 172.2 59.2 19.9 88.2 62.0 50.4 35 92 A Q < - 0 0 32 -3,-1.9 24,-2.6 25,-0.3 2,-0.4 -0.396 31.4-130.5 -59.7 124.6 89.0 64.6 47.7 36 93 A P E +D 58 0B 39 0, 0.0 80,-2.3 0, 0.0 2,-0.3 -0.699 39.5 168.9 -75.1 128.6 86.0 66.8 46.9 37 94 A V E -DE 57 115B 0 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.908 32.3-136.7-137.6 164.5 85.5 67.0 43.2 38 95 A T E -DE 56 114B 11 76,-2.7 76,-3.5 -2,-0.3 2,-0.4 -0.993 14.8-155.5-121.4 128.5 83.1 68.2 40.6 39 96 A L E -DE 55 113B 0 16,-2.5 16,-2.0 -2,-0.4 2,-0.4 -0.881 12.5-169.1 -99.7 138.4 82.3 66.0 37.5 40 97 A R E -DE 54 112B 60 72,-2.3 72,-2.7 -2,-0.4 2,-0.4 -0.997 8.1-160.6-132.7 126.7 81.0 67.9 34.5 41 98 A A E -DE 53 111B 0 12,-2.9 12,-2.1 -2,-0.4 2,-0.4 -0.925 12.5-174.4-106.2 134.7 79.5 66.3 31.3 42 99 A S E +DE 52 110B 17 68,-2.1 68,-3.2 -2,-0.4 2,-0.3 -0.986 5.9 177.3-132.5 139.7 79.4 68.3 28.1 43 100 A L E -DE 51 109B 1 8,-2.7 8,-3.1 -2,-0.4 2,-0.5 -0.995 14.6-157.3-141.7 139.2 77.8 67.5 24.8 44 101 A R E -D 50 0B 145 64,-0.5 64,-0.3 -2,-0.3 6,-0.2 -0.989 19.9-143.7-115.5 127.5 77.5 69.5 21.5 45 102 A D > - 0 0 10 4,-2.2 3,-1.8 -2,-0.5 55,-0.2 -0.088 36.9 -86.6 -80.5-174.7 74.7 68.5 19.2 46 103 A E T 3 S+ 0 0 78 53,-2.3 54,-0.1 1,-0.3 -1,-0.1 0.656 130.0 55.3 -70.6 -12.9 74.8 68.5 15.3 47 104 A K T 3 S- 0 0 171 52,-0.3 -1,-0.3 2,-0.1 53,-0.1 0.205 122.1-107.0 -96.7 8.7 73.8 72.2 15.3 48 105 A G < + 0 0 44 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.467 69.3 152.2 75.4 5.2 76.8 73.1 17.6 49 106 A A - 0 0 22 48,-0.1 -4,-2.2 50,-0.1 2,-0.3 -0.490 41.1-127.4 -77.2 131.2 74.5 73.6 20.6 50 107 A L E -D 44 0B 16 -2,-0.2 42,-2.6 -6,-0.2 43,-0.4 -0.591 24.0-178.0 -83.7 131.4 75.9 73.0 24.1 51 108 A F E +DF 43 91B 4 -8,-3.1 -8,-2.7 -2,-0.3 2,-0.3 -0.993 14.0 174.4-123.1 136.0 74.3 70.7 26.7 52 109 A Q E +DF 42 90B 69 38,-2.4 38,-2.8 -2,-0.4 2,-0.3 -0.974 17.1 177.7-141.3 151.8 75.9 70.3 30.2 53 110 A A E -D 41 0B 1 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.3 -0.968 8.9-176.0-144.7 156.3 75.4 68.7 33.6 54 111 A H E -D 40 0B 77 -2,-0.3 22,-3.9 -14,-0.2 23,-0.4 -0.989 4.5-176.1-147.9 152.5 77.5 68.7 36.7 55 112 A A E -DG 39 75B 0 -16,-2.0 -16,-2.5 -2,-0.3 2,-0.3 -0.990 24.4-122.4-147.6 149.7 77.5 67.1 40.2 56 113 A R E +DG 38 74B 87 18,-2.9 17,-2.8 -2,-0.3 18,-0.6 -0.682 36.3 167.7 -88.1 143.5 79.7 67.4 43.3 57 114 A Y E -D 37 0B 2 -20,-3.0 -20,-2.1 -2,-0.3 2,-0.4 -0.872 28.6-135.1-142.2 174.0 81.2 64.2 44.7 58 115 A R E -D 36 0B 128 13,-0.3 -23,-0.1 -2,-0.3 -24,-0.1 -0.990 24.3-126.5-136.1 127.0 83.8 63.1 47.2 59 116 A A - 0 0 4 -24,-2.6 6,-0.2 -2,-0.4 -30,-0.1 -0.266 32.7-112.5 -59.3 157.4 86.3 60.3 46.5 60 117 A D > - 0 0 46 4,-2.9 -26,-2.4 -27,-0.1 3,-1.7 -0.096 43.9 -78.5 -80.1-169.0 86.4 57.5 49.0 61 118 A T T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -28,-0.3 -2,-0.1 0.639 132.5 55.2 -69.0 -13.7 89.4 56.7 51.4 62 119 A L T 3 S- 0 0 142 2,-0.2 -32,-0.4 -30,-0.1 -1,-0.3 0.404 119.7-108.2 -94.7 1.7 91.3 55.1 48.5 63 120 A G S < S+ 0 0 1 -3,-1.7 -32,-2.1 1,-0.3 2,-0.4 0.754 77.3 136.7 73.1 25.5 90.9 58.1 46.3 64 121 A E - 0 0 32 -35,-0.2 -4,-2.9 -34,-0.1 2,-0.5 -0.869 37.6-169.3-107.6 135.7 88.4 56.3 44.1 65 122 A L E +B 28 0A 0 -37,-2.7 -37,-2.5 -2,-0.4 2,-0.5 -0.955 11.2 174.1-121.6 111.2 85.2 57.8 42.8 66 123 A D E >> -B 27 0A 10 -2,-0.5 4,-2.7 -39,-0.3 3,-2.1 -0.974 25.1-148.9-120.3 118.9 82.8 55.2 41.3 67 124 A L T 34 S+ 0 0 4 -41,-3.0 5,-0.1 -2,-0.5 -40,-0.1 0.629 97.7 56.1 -71.2 -11.9 79.4 56.5 40.3 68 125 A E T 34 S+ 0 0 89 -42,-0.3 -1,-0.3 14,-0.1 -41,-0.1 0.419 121.2 31.1 -89.0 3.0 77.6 53.2 41.0 69 126 A R T <4 S+ 0 0 150 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.606 113.1 59.7-126.7 -29.5 79.0 53.4 44.6 70 127 A A S < S- 0 0 20 -4,-2.7 11,-0.3 9,-0.1 -1,-0.2 -0.912 75.2-133.5-110.9 131.9 79.2 57.1 45.4 71 128 A P - 0 0 64 0, 0.0 -13,-0.3 0, 0.0 9,-0.3 -0.528 22.9-109.2 -82.3 149.5 76.2 59.4 45.4 72 129 A A B -I 79 0C 5 7,-2.5 7,-2.7 -2,-0.2 -15,-0.2 -0.590 23.5-155.2 -66.9 140.0 76.1 62.9 43.9 73 130 A L - 0 0 94 -17,-2.8 2,-0.3 1,-0.4 -16,-0.1 0.584 60.2 -52.5 -99.8 -15.5 76.0 65.4 46.7 74 131 A G E S+G 56 0B 11 -18,-0.6 -18,-2.9 3,-0.4 2,-0.4 -0.871 84.2 99.5 156.3 175.6 74.3 68.2 44.6 75 132 A G E S-G 55 0B 34 -2,-0.3 -20,-0.2 -20,-0.2 3,-0.1 -0.995 104.9 -2.4 122.2-127.9 74.6 70.1 41.4 76 133 A S S S- 0 0 32 -22,-3.9 2,-0.3 -2,-0.4 -21,-0.2 0.704 141.2 -9.4 -69.8 -17.2 72.4 69.1 38.5 77 134 A F - 0 0 16 -23,-0.4 -3,-0.4 -21,-0.0 2,-0.3 -0.974 63.3-138.1-166.4 169.7 71.1 66.2 40.7 78 135 A A + 0 0 66 -2,-0.3 -5,-0.2 -5,-0.1 2,-0.1 -0.953 53.4 45.4-138.1 158.5 71.7 64.4 44.0 79 136 A G B S-I 72 0C 29 -7,-2.7 -7,-2.5 -2,-0.3 2,-1.7 -0.312 101.5 -37.8 103.6 174.5 71.7 60.7 45.0 80 137 A L S S+ 0 0 82 -9,-0.3 -12,-0.1 -2,-0.1 -2,-0.1 -0.601 77.3 150.0 -74.9 90.3 73.1 57.4 43.8 81 138 A E > - 0 0 28 -2,-1.7 3,-2.1 -11,-0.3 4,-0.4 -0.725 23.7-179.7-132.1 81.0 72.4 58.3 40.1 82 139 A P T 3 S+ 0 0 30 0, 0.0 3,-0.2 0, 0.0 -56,-0.2 0.758 87.5 37.0 -55.3 -31.1 75.0 56.6 37.9 83 140 A X T >> S+ 0 0 13 1,-0.2 4,-2.6 2,-0.1 3,-1.6 0.210 83.0 107.8-106.3 10.7 73.5 58.1 34.7 84 141 A G H <> + 0 0 0 -3,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.825 69.8 64.8 -60.7 -36.2 72.6 61.5 36.1 85 142 A L H 34 S+ 0 0 2 -4,-0.4 -1,-0.3 -3,-0.2 -44,-0.1 0.699 114.7 34.0 -60.9 -18.5 75.4 63.3 34.2 86 143 A L H X4 S+ 0 0 2 -3,-1.6 3,-1.5 2,-0.1 -2,-0.2 0.834 119.7 44.7-100.4 -50.2 73.5 62.2 31.1 87 144 A W H 3< S+ 0 0 15 -4,-2.6 287,-0.6 1,-0.3 -3,-0.2 0.777 113.6 52.6 -70.4 -21.5 69.8 62.4 32.0 88 145 A A T 3< S+ 0 0 8 -4,-2.4 -1,-0.3 -5,-0.3 -34,-0.1 0.304 77.1 138.3 -93.7 8.2 70.2 65.7 33.8 89 146 A L < - 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