==== 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 LIGASE 30-MAY-08 3DAY . COMPND 2 MOLECULE: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,G.T.KOCHAN,W.W.YUE,C.BHATIA,F.VON DELFT,C.H.ARROWS . 535 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.1 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0.2 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 1 0 3 2 1 3 1 3 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 1 1 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 33 A L 0 0 97 0, 0.0 2,-0.7 0, 0.0 398,-0.1 0.000 360.0 360.0 360.0 132.9 8.0 10.2 -14.9 2 34 A Q + 0 0 169 1,-0.1 3,-0.1 403,-0.0 381,-0.0 -0.849 360.0 120.3-111.2 90.4 9.2 13.1 -17.0 3 35 A W S S- 0 0 13 -2,-0.7 -1,-0.1 1,-0.5 407,-0.0 -0.234 72.5 -92.8-145.9 55.3 11.5 11.5 -19.5 4 36 A G - 0 0 34 381,-0.1 -1,-0.5 382,-0.1 2,-0.3 -0.110 43.3 -89.9 74.4-172.6 10.3 12.2 -23.0 5 37 A H B -a 385 0A 105 379,-2.0 381,-1.9 -3,-0.1 2,-0.3 -0.909 35.0-116.8-134.7 165.5 8.0 10.1 -25.2 6 38 A Q - 0 0 26 -2,-0.3 2,-0.6 379,-0.2 -2,-0.0 -0.687 2.4-141.1-108.0 158.5 8.8 7.4 -27.7 7 39 A E + 0 0 143 379,-0.3 381,-0.1 -2,-0.3 378,-0.0 -0.902 53.9 132.3-113.1 91.1 8.3 6.9 -31.4 8 40 A V - 0 0 35 -2,-0.6 173,-0.1 380,-0.0 4,-0.1 -0.950 62.7 -91.5-137.9 154.8 7.2 3.3 -31.6 9 41 A P - 0 0 67 0, 0.0 171,-0.3 0, 0.0 195,-0.1 -0.314 40.7-115.5 -55.9 151.6 4.5 1.3 -33.4 10 42 A A S S+ 0 0 85 169,-0.1 170,-2.2 170,-0.1 171,-0.4 0.891 98.4 35.0 -57.7 -39.3 1.3 0.9 -31.2 11 43 A K B +B 179 0B 92 168,-0.3 2,-0.3 169,-0.1 168,-0.2 -0.893 63.1 161.3-120.6 144.0 1.8 -2.8 -31.1 12 44 A F + 0 0 10 166,-1.9 2,-0.3 -2,-0.4 191,-0.1 -0.936 5.6 169.2-155.1 146.5 4.8 -5.1 -31.0 13 45 A N > - 0 0 2 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.870 25.6-148.4-155.1 122.7 5.5 -8.7 -30.0 14 46 A F H >>S+ 0 0 2 -2,-0.3 5,-2.4 1,-0.2 4,-1.6 0.831 98.3 51.5 -62.3 -37.1 8.8 -10.5 -30.7 15 47 A A H 4>S+ 0 0 0 3,-0.2 5,-2.7 2,-0.2 6,-0.2 0.963 121.0 30.4 -65.1 -52.3 7.1 -13.9 -31.1 16 48 A S H 45S+ 0 0 45 3,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.901 127.5 41.6 -73.7 -39.8 4.5 -12.8 -33.6 17 49 A D H <5S+ 0 0 79 -4,-3.0 -3,-0.2 3,-0.1 -1,-0.2 0.630 133.1 8.0 -88.4 -22.1 6.5 -10.1 -35.3 18 50 A V T X5S+ 0 0 6 -4,-1.6 4,-1.1 -5,-0.3 3,-0.4 0.632 127.8 43.3-123.8 -59.7 10.0 -11.7 -35.6 19 51 A L H > S+ 0 0 88 -3,-0.4 4,-2.1 -6,-0.2 -1,-0.2 0.931 103.4 46.2 -55.1 -48.4 8.1 -14.7 -39.7 22 54 A W H X S+ 0 0 35 -4,-1.1 4,-1.6 -3,-0.4 -2,-0.2 0.899 111.0 50.8 -65.2 -43.3 10.9 -17.4 -39.8 23 55 A A H X S+ 0 0 1 -4,-1.5 4,-2.4 28,-0.3 3,-0.3 0.947 110.5 51.3 -54.8 -49.3 8.4 -20.2 -39.1 24 56 A D H X S+ 0 0 93 -4,-2.3 4,-2.9 1,-0.2 6,-0.3 0.880 105.2 54.7 -60.9 -38.2 6.2 -18.9 -42.0 25 57 A M H <>S+ 0 0 42 -4,-2.1 5,-2.6 2,-0.2 6,-1.4 0.894 111.3 45.9 -59.4 -39.8 9.1 -18.8 -44.5 26 58 A E H ><5S+ 0 0 18 -4,-1.6 3,-1.4 -3,-0.3 -2,-0.2 0.928 113.4 48.5 -69.8 -46.3 9.8 -22.5 -43.8 27 59 A K H 3<5S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.869 112.0 48.7 -63.9 -38.2 6.1 -23.4 -44.0 28 60 A A T 3<5S- 0 0 71 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.349 114.3-117.6 -80.3 5.8 5.7 -21.5 -47.3 29 61 A G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.702 82.2 123.5 65.7 17.9 8.9 -23.2 -48.6 30 62 A K S -C 35 0C 26 -2,-0.4 4,-2.8 -15,-0.3 5,-0.2 -0.350 42.0 -91.7 -77.4 175.7 13.9 -25.6 -36.6 51 83 A F H > S+ 0 0 0 -17,-1.1 4,-2.1 1,-0.2 -28,-0.3 0.864 127.4 48.6 -62.8 -37.1 11.9 -22.3 -36.7 52 84 A R H > S+ 0 0 107 2,-0.2 4,-2.7 -30,-0.2 -1,-0.2 0.920 113.7 46.3 -67.9 -46.5 8.6 -24.0 -37.4 53 85 A E H > S+ 0 0 82 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.889 112.1 51.5 -59.3 -44.5 9.1 -26.5 -34.5 54 86 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.940 112.6 45.9 -56.2 -49.3 10.2 -23.7 -32.2 55 87 A S H X S+ 0 0 8 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.943 117.4 42.9 -60.8 -48.7 7.0 -21.7 -33.1 56 88 A E H X S+ 0 0 57 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.917 116.8 46.7 -62.8 -45.7 4.7 -24.8 -32.7 57 89 A N H X S+ 0 0 27 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.871 113.4 48.2 -69.2 -37.4 6.4 -25.9 -29.5 58 90 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.805 108.0 55.1 -74.8 -27.7 6.4 -22.4 -28.0 59 91 A Q H X S+ 0 0 28 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.906 106.9 51.5 -65.0 -41.4 2.7 -22.0 -29.0 60 92 A Q H X S+ 0 0 24 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 109.4 50.6 -54.2 -48.5 2.2 -25.3 -27.0 61 93 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.917 108.3 50.4 -58.0 -45.1 4.0 -23.5 -24.1 62 94 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.891 109.8 52.6 -60.8 -39.5 1.7 -20.4 -24.3 63 95 A N H X>S+ 0 0 40 -4,-2.3 4,-2.8 107,-0.3 5,-0.8 0.875 108.2 50.1 -61.8 -39.9 -1.3 -22.8 -24.2 64 96 A V H <>S+ 0 0 2 -4,-2.1 5,-2.3 3,-0.2 6,-0.2 0.910 115.0 42.8 -63.9 -45.1 0.0 -24.4 -21.1 65 97 A L H <5S+ 0 0 0 -4,-2.1 6,-2.2 3,-0.2 -2,-0.2 0.928 124.3 35.0 -68.1 -43.1 0.6 -21.1 -19.3 66 98 A S H <5S+ 0 0 40 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.835 132.0 26.9 -84.1 -37.0 -2.7 -19.5 -20.4 67 99 A G T ><5S+ 0 0 50 -4,-2.8 3,-0.9 -5,-0.3 -3,-0.2 0.925 128.1 30.2 -88.3 -81.9 -4.8 -22.7 -20.3 68 100 A A T 3 - 0 0 125 -2,-0.2 3,-2.5 1,-0.1 -1,-0.0 -0.661 32.8 -76.2-106.6 153.4 -4.0 -14.0 -17.5 73 105 A R T 3 S+ 0 0 123 1,-0.3 26,-0.2 -2,-0.2 25,-0.1 -0.211 120.7 23.7 -46.9 129.7 -2.5 -11.3 -19.6 74 106 A G T 3 S+ 0 0 33 24,-2.9 -1,-0.3 1,-0.3 25,-0.2 0.244 87.4 138.9 90.5 -9.6 -0.3 -9.1 -17.3 75 107 A D < - 0 0 19 -3,-2.5 25,-2.4 23,-0.2 2,-0.5 -0.422 54.1-122.5 -69.5 142.2 0.2 -11.9 -14.7 76 108 A R E -i 100 0D 55 45,-0.3 47,-2.1 23,-0.2 48,-1.4 -0.730 26.2-168.5 -96.3 130.2 3.8 -12.1 -13.4 77 109 A V E -ij 101 124D 0 23,-3.5 25,-2.6 -2,-0.5 2,-0.3 -0.950 11.1-148.7-126.4 112.8 5.7 -15.3 -13.9 78 110 A A E -ij 102 125D 8 46,-2.9 48,-2.8 -2,-0.5 2,-0.5 -0.616 13.0-161.8 -76.9 139.2 9.1 -16.1 -12.1 79 111 A V E +ij 103 126D 0 23,-2.2 25,-2.8 -2,-0.3 2,-0.4 -0.986 17.8 168.7-131.0 113.6 11.3 -18.3 -14.2 80 112 A V E + j 0 127D 5 46,-3.3 48,-1.0 -2,-0.5 25,-0.1 -0.809 26.6 139.0-129.8 82.7 14.2 -20.1 -12.3 81 113 A L - 0 0 0 23,-0.5 25,-0.4 -2,-0.4 150,-0.3 -0.898 46.9-124.8-125.6 151.3 15.6 -22.7 -14.8 82 114 A P - 0 0 17 0, 0.0 2,-2.4 0, 0.0 5,-0.2 -0.127 62.9 -60.5 -78.6-171.4 19.1 -23.9 -15.7 83 115 A R S S+ 0 0 39 172,-0.4 170,-0.0 171,-0.1 147,-0.0 -0.444 90.0 133.1 -77.3 74.0 20.3 -23.8 -19.3 84 116 A V >> - 0 0 24 -2,-2.4 3,-2.0 -45,-0.1 4,-0.6 -0.872 69.9-111.9-120.3 150.1 17.6 -26.2 -20.6 85 117 A P H 3> S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.739 111.0 71.4 -54.4 -28.4 15.5 -25.6 -23.8 86 118 A E H 3> S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.728 88.0 63.3 -63.0 -24.8 12.4 -25.2 -21.7 87 119 A W H <> S+ 0 0 0 -3,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.966 107.2 42.7 -59.1 -49.4 13.7 -21.8 -20.6 88 120 A W H X S+ 0 0 1 -4,-0.6 4,-2.0 -3,-0.3 -2,-0.2 0.912 117.1 47.7 -65.5 -40.7 13.6 -20.6 -24.2 89 121 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.921 111.8 48.7 -64.2 -43.2 10.2 -22.2 -24.7 90 122 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.875 111.5 49.6 -66.8 -37.7 8.7 -20.8 -21.4 91 123 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.933 112.9 45.9 -70.4 -43.0 9.9 -17.2 -22.2 92 124 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.907 110.3 55.3 -63.3 -41.1 8.5 -17.4 -25.7 93 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.903 108.8 48.4 -52.8 -43.2 5.2 -18.8 -24.1 94 126 A C H X>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 4,-0.6 0.920 109.7 51.0 -68.2 -44.4 5.1 -15.8 -21.9 95 127 A I H ><5S+ 0 0 1 -4,-2.5 3,-0.7 3,-0.2 -2,-0.2 0.904 113.2 46.1 -57.9 -47.2 5.6 -13.4 -24.7 96 128 A R H 3<5S+ 0 0 0 -4,-2.5 80,-3.0 1,-0.2 -1,-0.2 0.863 116.3 44.0 -60.1 -41.6 2.8 -15.1 -26.8 97 129 A A H 3<5S- 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.359 113.1-116.0 -92.1 4.8 0.4 -15.1 -23.8 98 130 A G T <<5 + 0 0 1 -3,-0.7 -24,-2.9 -4,-0.6 2,-0.3 0.879 63.4 149.2 61.3 39.4 1.2 -11.6 -22.7 99 131 A L < - 0 0 0 -5,-3.0 2,-0.8 -26,-0.2 -1,-0.2 -0.823 52.1-115.7-105.0 146.1 2.7 -12.6 -19.4 100 132 A I E -i 76 0D 13 -25,-2.4 -23,-3.5 -2,-0.3 2,-0.3 -0.712 30.7-151.4 -85.9 107.5 5.5 -10.8 -17.5 101 133 A F E -ik 77 185D 0 83,-2.4 85,-2.0 -2,-0.8 -23,-0.2 -0.676 12.1-170.9 -84.5 141.0 8.4 -13.1 -17.4 102 134 A M E -i 78 0D 6 -25,-2.6 -23,-2.2 -2,-0.3 85,-0.1 -0.790 12.0-159.3-133.7 82.3 10.8 -12.6 -14.4 103 135 A P E +i 79 0D 0 0, 0.0 85,-0.5 0, 0.0 2,-0.3 -0.418 13.1 176.7 -72.8 142.1 14.0 -14.7 -14.9 104 136 A G - 0 0 1 -25,-2.8 -23,-0.5 -2,-0.1 2,-0.2 -0.980 31.6 -97.2-141.0 153.8 16.3 -15.6 -12.0 105 137 A T > - 0 0 0 -2,-0.3 3,-1.8 127,-0.2 -25,-0.0 -0.409 16.7-137.7 -66.8 132.4 19.4 -17.7 -11.4 106 138 A I T 3 S+ 0 0 64 -25,-0.4 -1,-0.1 1,-0.2 -26,-0.1 0.656 101.1 77.9 -56.9 -15.2 19.2 -21.2 -10.2 107 139 A Q T 3 S+ 0 0 118 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.533 71.5 120.4 -72.4 -6.8 22.2 -20.1 -7.9 108 140 A M < - 0 0 10 -3,-1.8 2,-0.1 4,-0.1 26,-0.1 -0.369 59.5-136.6 -63.4 135.9 19.6 -18.4 -5.7 109 141 A K >> - 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