==== 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 31-OCT-07 3B7K . COMPND 2 MOLECULE: ACYL-COENZYME A THIOESTERASE 12; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LEHTIO,R.D.BUSAM,C.H.ARROWSMITH,R.COLLINS,L.G.DAHLGREN,A.M . 769 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 71.9 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 . 270 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 3 0 0 0 0 0 0 0 0 0 0 1 0 4 4 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 . 13 6 0 3 4 3 2 1 3 2 6 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 6 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 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 5 A S 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.8 -8.3 -7.0 13.9 2 6 A M - 0 0 132 2,-0.2 3,-0.1 122,-0.0 122,-0.1 -0.186 360.0 -92.3-121.4 37.0 -10.6 -9.8 12.6 3 7 A G S S+ 0 0 40 1,-0.2 2,-0.6 69,-0.1 70,-0.6 0.795 82.8 141.2 54.6 29.6 -9.9 -12.6 15.2 4 8 A E E -A 72 0A 84 68,-0.1 2,-0.4 66,-0.0 68,-0.2 -0.926 42.9-148.5-104.7 117.7 -7.2 -13.9 12.9 5 9 A V E -A 71 0A 3 66,-2.7 66,-2.3 -2,-0.6 2,-0.5 -0.724 12.9-157.8 -90.3 133.0 -4.1 -15.2 14.8 6 10 A V E -A 70 0A 12 -2,-0.4 2,-0.3 64,-0.2 64,-0.2 -0.950 11.8-177.6-121.6 122.0 -0.8 -14.8 13.0 7 11 A M E -A 69 0A 1 62,-2.6 62,-0.8 -2,-0.5 2,-0.3 -0.799 5.1-166.8-106.3 155.7 2.5 -16.7 13.6 8 12 A S E -A 68 0A 2 -2,-0.3 2,-0.4 411,-0.2 60,-0.2 -0.918 7.9-179.9-143.8 118.5 5.8 -16.2 11.8 9 13 A Q E -A 67 0A 14 58,-2.2 58,-2.8 -2,-0.3 2,-0.4 -0.975 18.8-151.7-123.1 127.0 8.7 -18.6 12.0 10 14 A A E -A 66 0A 14 -2,-0.4 2,-1.1 56,-0.2 56,-0.2 -0.807 32.1-120.5 -87.2 136.3 12.2 -18.4 10.4 11 15 A I - 0 0 0 54,-1.9 53,-1.5 -2,-0.4 54,-0.2 -0.665 34.6-177.6 -90.0 97.2 13.5 -21.9 9.8 12 16 A Q > - 0 0 39 -2,-1.1 3,-1.7 51,-0.2 4,-0.3 -0.435 48.1 -97.5 -79.4 162.1 16.8 -22.5 11.6 13 17 A P G > S+ 0 0 23 0, 0.0 3,-0.6 0, 0.0 521,-0.2 0.663 121.8 72.3 -45.8 -21.1 18.8 -25.8 11.3 14 18 A A G 3 S+ 0 0 37 268,-0.3 520,-0.3 1,-0.2 266,-0.1 0.877 101.7 39.3 -64.9 -37.9 17.0 -26.6 14.6 15 19 A H G < S+ 0 0 35 -3,-1.7 8,-2.9 518,-0.1 -1,-0.2 0.383 103.1 111.3 -90.2 2.3 13.7 -27.1 12.8 16 20 A A B < -F 22 0B 3 -3,-0.6 518,-0.4 -4,-0.3 6,-0.2 -0.345 53.0-147.8 -90.7 160.4 15.5 -28.9 9.9 17 21 A T > - 0 0 29 4,-2.1 3,-2.6 515,-0.1 -1,-0.1 -0.531 46.2 -81.0-112.7 177.3 15.6 -32.4 8.6 18 22 A A T 3 S+ 0 0 34 1,-0.3 177,-0.1 -2,-0.2 -2,-0.0 0.553 131.2 53.3 -58.2 -5.9 18.4 -34.5 6.9 19 23 A R T 3 S- 0 0 87 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.370 116.5-110.9-106.1 0.3 17.4 -32.7 3.7 20 24 A G S < S+ 0 0 30 -3,-2.6 43,-2.3 1,-0.3 2,-0.2 0.570 81.9 126.3 69.5 9.8 17.7 -29.1 5.0 21 25 A E B S-G 62 0C 23 41,-0.2 -4,-2.1 1,-0.1 -1,-0.3 -0.581 73.5 -89.2 -89.1 160.0 13.9 -28.9 4.7 22 26 A L B -F 16 0B 12 39,-3.4 -6,-0.2 -6,-0.2 2,-0.1 -0.536 49.2-105.4 -65.2 129.4 11.6 -28.0 7.6 23 27 A S > - 0 0 15 -8,-2.9 4,-1.7 -2,-0.3 3,-0.1 -0.378 20.1-143.1 -52.9 124.8 10.5 -31.0 9.6 24 28 A A H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 101.9 58.9 -59.7 -39.5 6.9 -31.8 8.8 25 29 A G H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 104.7 49.4 -55.2 -43.7 6.4 -32.7 12.5 26 30 A Q H > S+ 0 0 44 2,-0.2 4,-2.5 -11,-0.2 -1,-0.2 0.878 109.0 51.6 -63.9 -39.9 7.4 -29.2 13.4 27 31 A L H X S+ 0 0 9 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.958 109.6 50.3 -64.4 -47.8 5.0 -27.6 10.9 28 32 A L H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.860 111.0 50.2 -51.5 -41.0 2.2 -29.7 12.3 29 33 A K H X S+ 0 0 40 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.914 112.2 45.5 -68.3 -44.4 3.1 -28.6 15.8 30 34 A W H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.877 110.7 54.4 -65.0 -40.7 3.1 -24.9 14.8 31 35 A I H X S+ 0 0 12 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.905 110.3 46.9 -59.0 -41.8 -0.2 -25.2 12.9 32 36 A D H X S+ 0 0 6 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.866 110.7 51.5 -72.7 -38.0 -1.8 -26.7 16.0 33 37 A T H X S+ 0 0 26 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.954 112.5 45.0 -58.5 -53.4 -0.4 -24.0 18.4 34 38 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.901 114.4 48.9 -63.4 -41.3 -1.7 -21.1 16.2 35 39 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.876 110.4 51.1 -64.4 -40.0 -5.1 -22.7 15.7 36 40 A C H X S+ 0 0 8 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.914 108.5 50.6 -65.7 -45.4 -5.4 -23.4 19.5 37 41 A L H X S+ 0 0 1 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.891 108.0 55.1 -59.2 -38.1 -4.6 -19.8 20.3 38 42 A A H X S+ 0 0 3 -4,-1.9 4,-1.0 -5,-0.2 3,-0.5 0.945 112.5 41.9 -59.3 -49.4 -7.3 -18.9 17.7 39 43 A A H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.6 0.901 110.6 55.3 -62.2 -47.1 -9.9 -21.0 19.6 40 44 A E H 3X S+ 0 0 5 -4,-3.3 4,-1.4 1,-0.3 -1,-0.2 0.651 102.0 59.2 -66.2 -15.5 -8.8 -19.9 23.0 41 45 A K H 3< S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.857 111.5 40.3 -75.7 -38.0 -9.4 -16.3 21.9 42 46 A H H << S+ 0 0 22 -4,-1.0 77,-0.3 -3,-0.6 -2,-0.2 0.840 122.8 39.7 -75.1 -36.7 -13.0 -17.1 21.2 43 47 A A H < S- 0 0 24 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.876 83.5-143.7 -87.2 -42.7 -13.5 -19.3 24.2 44 48 A G S < S+ 0 0 15 -4,-1.4 2,-0.2 1,-0.3 460,-0.1 0.194 76.1 76.7 92.1 -15.9 -11.7 -17.6 27.1 45 49 A V S S- 0 0 18 1,-0.1 -1,-0.3 456,-0.1 -2,-0.2 -0.756 97.8 -74.0-118.9 167.2 -10.7 -21.0 28.6 46 50 A S - 0 0 4 64,-0.3 64,-2.9 -2,-0.2 2,-0.4 -0.341 48.6-155.3 -62.7 141.3 -8.1 -23.6 27.6 47 51 A C E -B 109 0A 5 62,-0.2 2,-0.3 -11,-0.1 62,-0.2 -0.959 4.4-154.1-126.6 142.0 -8.8 -25.6 24.4 48 52 A V E -B 108 0A 33 60,-2.2 60,-2.3 -2,-0.4 2,-0.3 -0.866 32.2 -98.3-117.2 144.6 -7.6 -29.1 23.3 49 53 A T E +B 107 0A 13 -2,-0.3 58,-0.2 58,-0.2 3,-0.1 -0.465 38.2 177.1 -64.7 120.2 -7.3 -30.5 19.8 50 54 A A E - 0 0 25 56,-3.0 156,-2.8 1,-0.4 2,-0.3 0.887 61.0 -25.4 -88.5 -50.5 -10.4 -32.6 19.1 51 55 A S E -BC 106 205A 18 55,-1.2 55,-3.0 154,-0.3 -1,-0.4 -0.982 50.8-136.4-159.9 160.4 -9.7 -33.6 15.5 52 56 A V E -BC 105 204A 9 152,-2.5 152,-1.7 -2,-0.3 53,-0.2 -0.946 17.0-139.3-119.6 145.2 -7.9 -32.6 12.3 53 57 A D - 0 0 14 51,-2.3 151,-0.1 -2,-0.4 148,-0.1 -0.337 52.9 -61.0 -82.1 178.9 -9.2 -32.8 8.8 54 58 A D - 0 0 95 -2,-0.1 2,-0.4 149,-0.1 50,-0.4 -0.385 54.4-155.0 -61.5 138.0 -7.0 -34.0 5.9 55 59 A I E -H 201 0D 5 146,-2.1 146,-1.6 48,-0.1 2,-0.4 -0.974 6.3-164.4-117.6 132.4 -3.9 -31.8 5.4 56 60 A Q E -H 200 0D 79 46,-0.5 2,-0.6 -2,-0.4 144,-0.2 -0.944 9.1-148.8-113.2 139.5 -2.1 -31.5 2.1 57 61 A F + 0 0 20 142,-3.3 44,-0.2 -2,-0.4 3,-0.1 -0.934 17.5 175.3-111.1 114.2 1.4 -30.1 1.8 58 62 A E S S+ 0 0 116 42,-3.0 2,-0.3 -2,-0.6 42,-0.2 0.838 70.7 15.4 -84.1 -39.7 2.1 -28.4 -1.5 59 63 A E - 0 0 77 41,-0.4 2,-0.4 39,-0.1 -1,-0.2 -0.909 65.9-139.9-131.9 158.5 5.6 -27.1 -0.8 60 64 A T - 0 0 53 -2,-0.3 2,-0.3 -3,-0.1 -37,-0.1 -0.993 26.8-126.2-120.8 130.5 8.2 -27.9 1.8 61 65 A A - 0 0 4 -2,-0.4 -39,-3.4 -39,-0.1 2,-0.2 -0.563 19.0-144.3 -80.2 135.3 10.1 -24.9 3.3 62 66 A R B > -G 21 0C 178 -2,-0.3 3,-1.6 -41,-0.3 -51,-0.2 -0.571 36.6 -80.0 -91.3 159.1 13.9 -25.0 3.2 63 67 A V T 3 S+ 0 0 41 -43,-2.3 -51,-0.2 1,-0.3 -1,-0.1 -0.327 119.4 37.1 -53.7 133.7 16.2 -23.5 5.9 64 68 A G T 3 S+ 0 0 10 -53,-1.5 28,-0.6 1,-0.4 2,-0.3 0.396 94.4 110.2 98.8 -2.8 16.4 -19.8 5.5 65 69 A Q E < - D 0 91A 31 -3,-1.6 -54,-1.9 -54,-0.2 -1,-0.4 -0.778 63.0-130.6-104.5 152.7 12.8 -19.4 4.5 66 70 A V E -AD 10 90A 2 24,-2.0 24,-2.9 -2,-0.3 2,-0.4 -0.857 15.2-154.5-108.1 135.1 10.0 -17.7 6.6 67 71 A I E -AD 9 89A 1 -58,-2.8 -58,-2.2 -2,-0.4 2,-0.5 -0.888 2.3-161.0-112.2 136.8 6.6 -19.4 7.2 68 72 A T E -AD 8 88A 17 20,-0.8 20,-1.4 -2,-0.4 2,-0.4 -0.909 6.4-169.3-124.9 107.4 3.4 -17.5 8.0 69 73 A I E -AD 7 87A 1 -62,-0.8 -62,-2.6 -2,-0.5 2,-0.4 -0.773 1.7-171.1 -96.9 131.9 0.5 -19.3 9.7 70 74 A K E -AD 6 86A 80 16,-2.4 16,-2.7 -2,-0.4 2,-0.3 -0.990 5.1-178.2-123.4 126.3 -2.9 -17.7 10.0 71 75 A A E +AD 5 85A 0 -66,-2.3 -66,-2.7 -2,-0.4 2,-0.3 -0.935 4.0 172.9-125.6 153.0 -5.8 -19.2 12.0 72 76 A K E -AD 4 84A 37 12,-1.3 12,-2.3 -2,-0.3 2,-0.6 -0.991 36.6-113.5-152.8 145.0 -9.4 -18.1 12.6 73 77 A V E - 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0 0 81 -6,-0.1 -5,-2.5 1,-0.1 2,-0.5 -0.242 34.4-160.1 -59.8 130.9 8.5 -15.2 -3.8 97 101 A E E - E 0 90A 106 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.960 12.9-179.5-108.0 130.5 5.6 -16.3 -1.6 98 102 A K E - E 0 89A 91 -9,-2.4 -9,-1.8 -2,-0.5 2,-0.4 -0.900 31.2-107.0-123.4 158.1 3.9 -19.7 -2.2 99 103 A L E + E 0 88A 70 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.697 30.0 178.1 -81.9 133.6 1.0 -21.5 -0.6 100 104 A V E - 0 0 2 -13,-3.1 -42,-3.0 -2,-0.4 -41,-0.4 0.813 61.8 -16.6 -98.1 -47.2 2.0 -24.5 1.6 101 105 A S E - E 0 87A 1 -14,-1.6 -14,-1.4 -44,-0.2 2,-0.4 -0.932 38.1-155.3-165.8 132.8 -1.4 -25.7 3.0 102 106 A V E + E 0 86A 80 -2,-0.3 -46,-0.5 -16,-0.2 2,-0.3 -0.938 40.8 166.1-100.9 138.1 -5.0 -24.8 3.5 103 107 A A E - E 0 85A 2 -18,-2.5 -18,-3.7 -2,-0.4 2,-0.4 -0.994 31.1-141.4-155.7 154.7 -6.4 -26.8 6.4 104 108 A F E + E 0 84A 36 -50,-0.4 -51,-2.3 -2,-0.3 2,-0.3 -0.947 20.3 175.7-122.3 144.1 -9.2 -27.3 8.9 105 109 A S E -BE 52 83A 6 -22,-2.5 -22,-3.1 -2,-0.4 2,-0.4 -0.975 20.0-133.0-145.9 160.1 -9.1 -28.3 12.6 106 110 A T E -BE 51 82A 13 -55,-3.0 -56,-3.0 -2,-0.3 -55,-1.2 -0.935 17.6-172.6-122.3 134.6 -11.4 -28.8 15.6 107 111 A F E -BE 49 81A 1 -26,-1.9 -26,-1.8 -2,-0.4 2,-0.5 -0.923 11.6-147.8-125.6 149.4 -10.9 -27.6 19.2 108 112 A V E -BE 48 80A 42 -60,-2.3 -60,-2.2 -2,-0.3 2,-0.2 -0.971 18.0-129.6-120.2 126.7 -12.9 -28.2 22.4 109 113 A A E -B 47 0A 6 -30,-2.4 -62,-0.2 -2,-0.5 -63,-0.1 -0.534 24.6-139.1 -65.9 134.3 -13.2 -25.7 25.2 110 114 A K - 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