==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-09 3K2I . COMPND 2 MOLECULE: ACYL-COENZYME A THIOESTERASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.I.SIPONEN,M.MOCHE,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA, . 810 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 18.1 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 . 6 0.7 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 . 77 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 15.1 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+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 1 2 1 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 6 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 0 PARALLEL BRIDGES PER LADDER . 6 8 2 3 3 2 2 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 . 0 4 2 0 2 0 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 3 A A 0 0 80 0, 0.0 2,-0.3 0, 0.0 20,-0.3 0.000 360.0 360.0 360.0 95.7 -51.9 -16.1 -5.7 2 4 A T E -A 20 0A 76 18,-2.0 18,-2.3 115,-0.1 2,-0.5 -0.916 360.0-138.3-136.8 149.8 -48.6 -14.8 -7.0 3 5 A L E -A 19 0A 19 -2,-0.3 2,-0.4 115,-0.2 16,-0.2 -0.815 22.9-163.9-105.7 123.2 -45.3 -12.9 -6.2 4 6 A I E -A 18 0A 46 14,-3.8 14,-2.1 -2,-0.5 2,-0.5 -0.898 10.5-171.6-119.1 132.0 -43.9 -10.5 -8.8 5 7 A L E -A 17 0A 37 -2,-0.4 12,-0.2 12,-0.2 -2,-0.0 -0.952 27.3-132.6-122.5 111.6 -40.4 -8.9 -8.9 6 8 A E E A 16 0A 84 10,-2.3 10,-2.4 -2,-0.5 -2,-0.0 -0.944 360.0 360.0-128.6 144.2 -39.8 -6.1 -11.5 7 9 A P 0 0 149 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.576 360.0 360.0 -90.7 360.0 -37.8 -5.4 -13.6 8 ! 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 9 13 A C 0 0 73 0, 0.0 115,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 145.9 -30.2 -7.7 -11.2 10 14 A C B > -c 124 0B 4 113,-0.2 3,-1.9 1,-0.1 115,-0.2 -0.472 360.0-113.8-102.3 154.9 -27.6 -6.5 -8.6 11 15 A W T 3 S+ 0 0 0 113,-2.5 114,-0.1 1,-0.3 -1,-0.1 0.880 114.4 54.0 -53.6 -41.2 -27.9 -6.1 -4.8 12 16 A N T 3 S+ 0 0 15 112,-0.3 -1,-0.3 2,-0.1 350,-0.1 0.240 89.1 96.9 -79.5 11.7 -27.6 -2.3 -5.0 13 17 A E S < S- 0 0 83 -3,-1.9 2,-0.0 348,-0.1 0, 0.0 -0.892 75.7-120.3-107.8 131.1 -30.6 -1.9 -7.4 14 18 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.380 32.0-167.4 -65.3 144.1 -34.1 -1.1 -6.2 15 19 A V - 0 0 9 58,-0.1 2,-0.6 -2,-0.0 -10,-0.0 -0.930 20.6-125.0-131.9 157.4 -36.8 -3.6 -7.1 16 20 A R E -A 6 0A 55 -10,-2.4 -10,-2.3 -2,-0.3 2,-0.4 -0.927 21.9-161.4-105.9 117.0 -40.5 -3.5 -7.1 17 21 A I E +A 5 0A 3 -2,-0.6 41,-2.0 -12,-0.2 42,-0.4 -0.850 18.0 172.1-100.4 134.9 -42.1 -6.4 -5.1 18 22 A A E -AB 4 57A 0 -14,-2.1 -14,-3.8 -2,-0.4 2,-0.4 -0.983 21.3-157.1-145.4 148.4 -45.8 -7.1 -5.8 19 23 A V E -AB 3 56A 0 37,-2.9 37,-3.0 -2,-0.3 2,-0.3 -1.000 11.9-179.8-131.0 130.0 -48.4 -9.7 -5.0 20 24 A R E +A 2 0A 130 -18,-2.3 -18,-2.0 -2,-0.4 35,-0.2 -0.777 59.3 46.7-114.0 165.1 -51.5 -10.5 -7.0 21 25 A G S S+ 0 0 49 32,-0.4 2,-0.2 -2,-0.3 34,-0.2 0.737 73.8 133.9 78.5 27.0 -54.3 -13.0 -6.3 22 26 A L - 0 0 15 32,-2.7 -1,-0.2 31,-0.2 3,-0.1 -0.572 64.6 -89.9 -97.0 167.3 -54.9 -12.3 -2.6 23 27 A A > - 0 0 48 -2,-0.2 3,-1.6 1,-0.1 2,-0.3 -0.302 62.3 -80.8 -62.9 157.9 -58.3 -11.9 -0.9 24 28 A P T 3 S- 0 0 88 0, 0.0 28,-0.2 0, 0.0 -1,-0.1 -0.546 114.7 -5.6 -66.0 127.9 -59.6 -8.4 -0.9 25 29 A E T 3 S+ 0 0 142 26,-2.5 27,-0.1 -2,-0.3 26,-0.1 0.789 93.7 175.3 59.6 31.9 -57.8 -6.6 2.0 26 30 A Q < - 0 0 27 -3,-1.6 24,-2.5 25,-0.3 2,-0.6 -0.395 32.0-124.0 -69.8 144.1 -56.2 -9.8 3.2 27 31 A R E +D 49 0C 133 22,-0.2 80,-3.2 -2,-0.1 2,-0.3 -0.828 41.7 171.2 -87.3 119.5 -53.8 -9.6 6.1 28 32 A V E -DE 48 106C 0 20,-2.5 20,-3.5 -2,-0.6 2,-0.4 -0.942 29.8-144.0-129.7 152.9 -50.4 -11.1 5.0 29 33 A T E -DE 47 105C 16 76,-2.1 76,-3.4 -2,-0.3 2,-0.4 -0.958 16.1-156.2-105.3 132.3 -46.9 -11.4 6.3 30 34 A L E -DE 46 104C 4 16,-2.9 16,-2.1 -2,-0.4 2,-0.4 -0.906 11.9-170.7-104.0 143.4 -44.0 -11.2 3.8 31 35 A R E -DE 45 103C 83 72,-2.3 72,-2.0 -2,-0.4 2,-0.4 -0.977 8.0-165.6-137.3 141.1 -40.7 -12.8 4.8 32 36 A A E +DE 44 102C 0 12,-2.8 12,-1.8 -2,-0.4 2,-0.3 -0.974 14.1 173.0-128.3 144.3 -37.3 -12.7 3.1 33 37 A S E +DE 43 101C 23 68,-1.3 68,-2.4 -2,-0.4 2,-0.3 -0.994 9.1 171.5-154.6 150.9 -34.4 -15.0 3.8 34 38 A L E -D 42 0C 4 8,-1.9 8,-2.8 -2,-0.3 2,-0.5 -0.977 25.6-135.9-158.7 147.8 -30.9 -15.9 2.6 35 39 A R E -D 41 0C 140 64,-0.4 64,-0.3 -2,-0.3 6,-0.2 -0.942 29.0-141.6-103.0 130.3 -27.9 -18.0 3.7 36 40 A D > - 0 0 18 4,-2.8 3,-1.4 -2,-0.5 55,-0.1 0.071 39.4 -75.8 -79.3-164.0 -24.6 -16.2 3.2 37 41 A E T 3 S+ 0 0 70 53,-0.3 -1,-0.1 1,-0.3 54,-0.0 0.652 132.7 44.9 -72.7 -18.7 -21.3 -17.8 2.0 38 42 A K T 3 S- 0 0 144 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.107 124.2-100.0-106.8 17.7 -20.6 -19.5 5.4 39 43 A G S < S+ 0 0 33 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.516 71.3 150.2 80.8 3.6 -24.2 -20.7 5.7 40 44 A A - 0 0 18 -5,-0.1 -4,-2.8 1,-0.1 2,-0.3 -0.535 43.5-124.2 -76.1 136.8 -25.3 -18.1 8.2 41 45 A L E -D 35 0C 28 -2,-0.3 42,-2.1 -6,-0.2 2,-0.4 -0.590 23.2-171.1 -84.9 137.1 -29.1 -17.2 7.9 42 46 A F E +DF 34 82C 2 -8,-2.8 -8,-1.9 -2,-0.3 2,-0.3 -0.973 15.1 170.7-123.1 134.7 -30.4 -13.6 7.3 43 47 A R E +DF 33 81C 99 38,-2.3 38,-2.3 -2,-0.4 2,-0.3 -0.991 15.3 172.5-149.3 158.6 -34.1 -12.8 7.6 44 48 A A E -D 32 0C 1 -12,-1.8 -12,-2.8 -2,-0.3 2,-0.3 -0.969 8.8-174.2-157.3 154.1 -36.6 -10.0 7.7 45 49 A H E -D 31 0C 69 -2,-0.3 22,-2.7 -14,-0.2 23,-0.5 -0.962 5.2-171.4-151.9 164.4 -40.4 -9.8 7.6 46 50 A A E -DG 30 66C 0 -16,-2.1 -16,-2.9 -2,-0.3 2,-0.4 -0.972 20.1-126.2-159.7 148.2 -43.2 -7.3 7.5 47 51 A R E +DG 29 65C 8 18,-2.6 17,-2.7 -2,-0.3 18,-0.5 -0.775 33.7 167.7-104.0 138.1 -47.0 -7.3 7.8 48 52 A Y E -D 28 0C 3 -20,-3.5 -20,-2.5 -2,-0.4 2,-0.4 -0.901 31.2-130.4-139.7 170.4 -49.3 -5.9 5.2 49 53 A C E -D 27 0C 41 -2,-0.3 -22,-0.2 13,-0.3 -23,-0.1 -0.997 26.7-130.6-121.3 125.8 -52.9 -5.6 4.0 50 54 A A - 0 0 6 -24,-2.5 6,-0.2 -2,-0.4 -30,-0.1 -0.254 28.2-115.8 -58.2 156.1 -53.9 -6.2 0.3 51 55 A D > - 0 0 55 4,-3.1 -26,-2.5 -26,-0.1 3,-1.3 -0.038 42.8 -78.5 -79.4-169.0 -56.0 -3.6 -1.4 52 56 A A T 3 S+ 0 0 80 1,-0.3 -2,-0.1 -28,-0.2 -1,-0.0 0.838 130.9 54.4 -69.1 -31.9 -59.6 -4.1 -2.8 53 57 A C T 3 S- 0 0 109 2,-0.1 -32,-0.4 -29,-0.1 -1,-0.3 0.316 121.2-107.4 -78.8 9.7 -58.4 -6.0 -5.9 54 58 A G S < S+ 0 0 0 -3,-1.3 -32,-2.7 1,-0.3 2,-0.3 0.819 79.6 133.6 62.8 31.8 -56.5 -8.4 -3.7 55 59 A E - 0 0 8 -35,-0.2 -4,-3.1 -34,-0.2 2,-0.4 -0.856 41.2-162.2-111.7 149.0 -53.2 -6.8 -4.8 56 60 A L E -B 19 0A 2 -37,-3.0 -37,-2.9 -2,-0.3 2,-0.5 -0.998 4.8-174.7-130.7 127.0 -50.2 -5.7 -2.7 57 61 A D E >> -B 18 0A 10 -2,-0.4 4,-2.8 -39,-0.2 3,-2.7 -0.918 15.5-155.8-125.9 110.6 -47.6 -3.3 -4.1 58 62 A L T 34 S+ 0 0 3 -41,-2.0 14,-0.2 -2,-0.5 5,-0.1 0.700 92.8 60.0 -61.4 -18.8 -44.6 -2.7 -1.8 59 63 A E T 34 S+ 0 0 89 -42,-0.4 -1,-0.3 1,-0.1 -41,-0.1 0.503 121.3 23.3 -82.1 -6.6 -43.9 0.7 -3.5 60 64 A R T <4 S+ 0 0 157 -3,-2.7 -2,-0.2 1,-0.2 -1,-0.1 0.612 109.8 72.9-127.6 -28.6 -47.3 2.0 -2.4 61 65 A A S < S- 0 0 23 -4,-2.8 11,-0.3 9,-0.0 2,-0.2 -0.813 74.3-133.5 -97.2 127.5 -48.5 -0.0 0.6 62 66 A P - 0 0 69 0, 0.0 -13,-0.3 0, 0.0 9,-0.3 -0.514 18.6-113.6 -79.0 145.9 -46.8 0.6 3.9 63 67 A A B -I 70 0D 5 7,-2.6 7,-2.7 -2,-0.2 -15,-0.2 -0.515 19.9-156.3 -69.1 138.3 -45.6 -2.2 6.3 64 68 A L - 0 0 57 -17,-2.7 638,-0.3 1,-0.4 2,-0.3 0.531 67.1 -35.5 -93.9 -9.0 -47.7 -2.1 9.4 65 69 A G E S+G 47 0C 0 -18,-0.5 -18,-2.6 3,-0.3 -1,-0.4 -0.930 83.5 98.1 163.2 174.2 -45.0 -3.8 11.4 66 70 A G E S-G 46 0C 0 -2,-0.3 -20,-0.2 -20,-0.3 3,-0.1 -0.929 98.4 -12.9 122.4-149.6 -42.2 -6.3 11.4 67 71 A S S S- 0 0 22 -22,-2.7 2,-0.3 -2,-0.3 -21,-0.1 0.639 140.6 -2.3 -59.8 -17.2 -38.5 -5.8 10.9 68 72 A F S S- 0 0 9 -23,-0.5 2,-0.3 -3,-0.1 -3,-0.3 -0.931 70.6-145.6-160.6 177.5 -39.5 -2.3 9.9 69 73 A A + 0 0 8 -2,-0.3 -5,-0.2 -5,-0.1 2,-0.1 -0.957 52.2 43.2-147.3 159.3 -42.7 -0.3 9.3 70 74 A G B S-I 63 0D 11 -7,-2.7 -7,-2.6 -2,-0.3 2,-1.2 -0.470 104.4 -27.5 98.4-173.4 -43.8 2.5 7.0 71 75 A L S S+ 0 0 92 -9,-0.3 -12,-0.1 -2,-0.1 -2,-0.1 -0.697 76.6 145.0 -83.2 96.9 -43.4 2.9 3.2 72 76 A E > + 0 0 29 -2,-1.2 3,-1.6 -11,-0.3 4,-0.3 -0.743 23.2 180.0-139.3 84.4 -40.1 1.0 2.6 73 77 A P T 3 S+ 0 0 38 0, 0.0 3,-0.2 0, 0.0 -56,-0.2 0.793 88.1 38.5 -57.2 -35.6 -40.1 -0.8 -0.8 74 78 A M T >> S+ 0 0 9 1,-0.1 4,-2.8 2,-0.1 3,-1.5 0.240 84.5 108.5-100.0 13.1 -36.6 -2.3 -0.2 75 79 A G H <> + 0 0 0 -3,-1.6 4,-2.8 1,-0.3 -1,-0.1 0.840 67.8 64.3 -61.5 -39.6 -37.0 -3.0 3.5 76 80 A L H 34 S+ 0 0 2 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.731 115.5 34.0 -57.9 -20.3 -37.2 -6.8 3.2 77 81 A L H X4 S+ 0 0 7 -3,-1.5 3,-1.3 2,-0.1 -2,-0.2 0.817 120.5 43.3-102.2 -47.4 -33.6 -6.5 1.9 78 82 A W H 3< S+ 0 0 16 -4,-2.8 287,-0.5 1,-0.2 -3,-0.2 0.870 113.3 53.2 -72.5 -24.6 -32.1 -3.7 3.8 79 83 A A T 3< S+ 0 0 10 -4,-2.8 -1,-0.2 -5,-0.3 -34,-0.1 0.326 75.4 134.7 -87.2 6.6 -33.6 -4.8 7.2 80 84 A L < - 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