==== 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 31-OCT-07 3B7W . COMPND 2 MOLECULE: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,G.T.KOCHAN,A.C.W.PIKE,F.VON DELFT,C.H.ARROWSMITH, . 537 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.0 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 . 6 1.1 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 . 41 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 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 2 2 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 . 1 2 3 4 1 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 . 3 3 1 3 2 1 0 0 0 1 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 2 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 0 180 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 114.4 -7.7 5.7 57.5 2 34 A Q T >4 + 0 0 69 2,-0.2 3,-0.6 1,-0.2 384,-0.4 0.779 360.0 71.5 -61.3 -31.2 -8.7 7.0 54.1 3 35 A W T 34 S+ 0 0 29 1,-0.2 383,-0.2 382,-0.1 -1,-0.2 0.885 89.8 54.4 -49.0 -49.3 -5.6 9.1 55.0 4 36 A G T 34 S+ 0 0 31 -3,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.807 91.9 91.5 -58.0 -31.6 -3.2 6.2 54.5 5 37 A H << + 0 0 61 -3,-0.6 381,-0.8 -4,-0.5 2,-0.3 -0.482 54.6 158.2 -71.5 131.8 -4.5 5.6 51.0 6 38 A Q - 0 0 33 -2,-0.2 2,-1.3 2,-0.1 175,-0.0 -0.953 52.7-105.2-147.0 167.0 -2.7 7.5 48.2 7 39 A E S S+ 0 0 84 379,-0.3 381,-0.1 -2,-0.3 -2,-0.0 -0.676 77.4 118.7 -92.0 74.6 -2.1 7.4 44.5 8 40 A V S S- 0 0 34 -2,-1.3 -2,-0.1 4,-0.0 4,-0.1 -0.931 70.2 -96.0-138.6 153.2 1.5 6.1 44.8 9 41 A P - 0 0 69 0, 0.0 171,-0.2 0, 0.0 195,-0.1 -0.334 40.3-113.3 -62.2 159.5 3.4 3.0 43.6 10 42 A A S S+ 0 0 90 169,-0.1 170,-2.4 170,-0.1 2,-0.4 0.863 99.4 36.0 -65.1 -35.0 3.7 0.3 46.3 11 43 A K B +A 179 0A 99 168,-0.3 2,-0.3 169,-0.1 168,-0.3 -0.916 63.7 162.7-123.7 141.9 7.4 0.7 46.6 12 44 A F + 0 0 10 166,-1.8 2,-0.3 -2,-0.4 191,-0.1 -0.954 6.4 170.0-154.1 143.9 9.6 3.8 46.4 13 45 A N > - 0 0 2 -2,-0.3 4,-2.8 1,-0.1 5,-0.4 -0.895 24.8-149.5-152.7 122.5 13.2 4.6 47.4 14 46 A F H >>S+ 0 0 1 -2,-0.3 4,-2.3 3,-0.2 5,-1.8 0.918 97.6 51.4 -62.3 -40.2 15.0 7.8 46.5 15 47 A A H 4>S+ 0 0 0 3,-0.2 5,-2.3 1,-0.2 6,-0.2 0.955 120.3 30.4 -63.3 -51.3 18.4 6.1 46.5 16 48 A S H 45S+ 0 0 46 3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 126.5 43.7 -76.6 -34.1 17.6 3.2 44.2 17 49 A D H <5S+ 0 0 78 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.780 133.1 9.5 -84.8 -29.2 14.9 4.9 42.1 18 50 A V T X5S+ 0 0 6 -4,-2.3 4,-1.4 -5,-0.4 3,-0.5 0.772 127.1 43.9-117.5 -59.6 16.7 8.2 41.5 19 51 A L H > S+ 0 0 87 -3,-0.5 4,-2.1 -6,-0.2 -1,-0.2 0.943 107.7 42.5 -56.7 -53.6 19.6 5.8 37.8 22 54 A W H X S+ 0 0 35 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.893 114.0 50.9 -59.6 -44.5 22.3 8.6 37.5 23 55 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 28,-0.3 -2,-0.2 0.916 112.2 48.1 -56.2 -48.0 25.1 6.3 38.7 24 56 A D H X S+ 0 0 91 -4,-2.4 4,-2.5 1,-0.2 6,-0.3 0.821 105.4 57.7 -64.0 -36.2 23.9 3.7 36.1 25 57 A M H <>S+ 0 0 45 -4,-2.1 5,-2.0 2,-0.2 6,-1.3 0.903 110.4 44.8 -58.7 -42.9 23.9 6.2 33.3 26 58 A E H ><5S+ 0 0 18 -4,-1.7 3,-1.3 4,-0.2 -2,-0.2 0.941 114.4 47.2 -64.3 -50.4 27.5 7.0 34.1 27 59 A K H 3<5S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.866 111.6 51.1 -61.5 -39.3 28.5 3.3 34.3 28 60 A A T 3<5S- 0 0 65 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.510 112.8-119.2 -75.9 -5.8 26.7 2.5 31.1 29 61 A G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.600 82.7 118.9 76.7 13.1 28.4 5.3 29.3 30 62 A K S -B 35 0B 25 -2,-0.4 4,-2.7 -15,-0.3 5,-0.2 -0.328 41.3 -93.2 -83.2 178.0 30.2 12.2 40.6 51 83 A F H > S+ 0 0 0 -17,-1.0 4,-2.2 2,-0.2 -28,-0.3 0.867 127.0 50.4 -69.4 -32.9 27.0 10.1 40.7 52 84 A R H > S+ 0 0 111 -30,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.957 114.5 44.2 -64.9 -44.0 28.9 6.8 40.5 53 85 A E H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.889 112.0 52.8 -67.1 -37.5 31.1 7.9 43.4 54 86 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.923 111.2 46.5 -64.0 -44.3 28.2 9.2 45.3 55 87 A S H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.928 114.7 47.4 -62.0 -46.1 26.4 5.9 44.9 56 88 A E H X S+ 0 0 54 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.920 114.4 45.3 -59.2 -49.5 29.5 3.8 45.9 57 89 A N H X S+ 0 0 26 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.799 113.1 50.2 -69.0 -31.9 30.3 5.9 48.9 58 90 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.772 107.3 54.6 -76.7 -30.6 26.6 6.0 50.1 59 91 A Q H X S+ 0 0 20 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.874 107.2 50.7 -62.7 -40.9 26.5 2.2 49.7 60 92 A Q H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 108.9 51.8 -55.7 -48.1 29.6 2.1 52.0 61 93 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.911 108.8 50.0 -55.5 -48.4 27.6 4.3 54.4 62 94 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.824 109.2 52.3 -59.1 -36.6 24.7 1.9 54.3 63 95 A N H X>S+ 0 0 34 -4,-1.7 4,-2.2 107,-0.3 5,-1.3 0.868 107.9 51.4 -66.2 -37.0 27.1 -1.0 55.0 64 96 A V H <>S+ 0 0 1 -4,-2.3 5,-2.4 3,-0.2 6,-0.3 0.975 116.4 40.5 -60.5 -50.2 28.5 0.9 58.0 65 97 A L H <5S+ 0 0 0 -4,-2.5 6,-2.4 3,-0.2 -2,-0.2 0.916 128.4 28.4 -67.1 -47.4 24.9 1.4 59.4 66 98 A S H <5S+ 0 0 38 -4,-2.7 -3,-0.2 4,-0.2 -1,-0.2 0.833 132.5 30.7 -86.2 -32.0 23.5 -2.0 58.6 67 99 A G T ><5S+ 0 0 51 -4,-2.2 3,-0.7 -5,-0.3 -3,-0.2 0.926 127.6 28.1 -93.9 -77.8 26.6 -4.1 58.8 68 100 A A T 3 - 0 0 141 -2,-0.2 3,-2.7 1,-0.1 25,-0.0 -0.788 30.1 -75.3-113.2 151.5 17.9 -3.0 61.2 73 105 A R T 3 S+ 0 0 126 -2,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.103 120.8 24.8 -41.7 125.1 15.2 -1.9 58.9 74 106 A G T 3 S+ 0 0 39 24,-2.7 -1,-0.3 1,-0.4 25,-0.1 0.129 87.0 135.2 97.8 -16.0 12.9 0.5 60.8 75 107 A D < - 0 0 29 -3,-2.7 25,-2.1 23,-0.1 2,-0.4 -0.380 54.1-125.6 -63.3 142.1 15.5 1.6 63.4 76 108 A R E -h 100 0C 48 45,-0.3 47,-1.8 23,-0.2 48,-1.4 -0.778 22.2-164.6 -98.3 132.9 15.6 5.3 64.0 77 109 A V E -hi 101 124C 0 23,-3.2 25,-2.5 -2,-0.4 2,-0.3 -0.966 11.3-145.9-125.8 111.8 18.9 7.2 63.7 78 110 A A E -hi 102 125C 9 46,-2.3 48,-2.7 -2,-0.5 2,-0.5 -0.599 15.9-163.4 -70.7 131.4 19.4 10.7 65.0 79 111 A V E +hi 103 126C 0 23,-2.1 25,-2.5 -2,-0.3 2,-0.4 -0.982 17.3 167.4-124.0 117.1 21.7 12.7 62.7 80 112 A V E + i 0 127C 2 46,-3.2 48,-1.0 -2,-0.5 51,-0.2 -0.805 25.2 140.1-134.7 84.9 23.3 15.9 64.2 81 113 A L - 0 0 0 23,-0.4 150,-0.3 -2,-0.4 25,-0.3 -0.903 47.3-119.0-130.9 151.6 26.1 17.1 61.9 82 114 A P - 0 0 19 0, 0.0 2,-2.3 0, 0.0 5,-0.2 -0.108 63.1 -66.4 -71.1-175.8 27.6 20.3 60.4 83 115 A R S S+ 0 0 49 172,-0.5 147,-0.0 4,-0.1 170,-0.0 -0.512 89.3 132.2 -80.1 73.2 27.6 21.0 56.7 84 116 A V S >> S- 0 0 23 -2,-2.3 3,-2.2 -45,-0.0 4,-0.7 -0.886 71.4-108.2-121.1 155.0 30.1 18.2 55.8 85 117 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.804 112.1 70.8 -53.8 -27.9 29.8 15.5 53.1 86 118 A E H 3> S+ 0 0 23 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.700 88.7 63.4 -68.2 -19.7 29.0 12.8 55.7 87 119 A W H <> S+ 0 0 0 -3,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.977 107.8 41.2 -64.1 -50.3 25.6 14.4 56.3 88 120 A W H X S+ 0 0 2 -4,-0.7 4,-2.1 -3,-0.5 -2,-0.2 0.896 117.3 48.9 -62.8 -42.3 24.6 13.6 52.7 89 121 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.885 111.9 47.8 -63.9 -44.9 26.3 10.1 52.8 90 122 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.865 111.1 49.9 -67.1 -39.6 24.6 9.1 56.0 91 123 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.957 113.4 46.6 -64.3 -47.1 21.2 10.2 55.0 92 124 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.888 110.4 54.9 -59.0 -42.2 21.6 8.3 51.7 93 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.872 107.5 47.8 -56.4 -46.3 22.8 5.4 53.8 94 126 A C H X>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.7 0.938 110.9 52.3 -59.8 -45.0 19.7 5.4 56.0 95 127 A I H ><5S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.931 112.3 45.3 -57.5 -49.9 17.6 5.5 52.8 96 128 A R H 3<5S+ 0 0 1 -4,-2.6 80,-2.5 1,-0.2 -1,-0.2 0.855 116.3 45.8 -56.0 -41.6 19.4 2.5 51.4 97 129 A A H 3<5S- 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.387 112.6-114.8 -90.9 5.9 19.2 0.6 54.6 98 130 A G T <<5 + 0 0 1 -3,-0.9 -24,-2.7 -4,-0.7 2,-0.4 0.870 66.3 149.1 62.5 34.4 15.6 1.3 55.3 99 131 A L < - 0 0 0 -5,-2.9 2,-0.8 -26,-0.2 -1,-0.2 -0.849 51.4-120.8-101.6 143.7 16.5 3.3 58.4 100 132 A I E -h 76 0C 10 -25,-2.1 -23,-3.2 -2,-0.4 2,-0.3 -0.711 28.2-153.2 -86.8 109.7 14.5 6.3 59.7 101 133 A F E -hj 77 185C 0 83,-2.2 85,-2.0 -2,-0.8 -23,-0.2 -0.654 9.5-168.2 -86.4 142.9 16.8 9.4 59.7 102 134 A M E -h 78 0C 9 -25,-2.5 -23,-2.1 -2,-0.3 85,-0.1 -0.820 11.0-158.5-134.2 84.3 16.0 12.1 62.2 103 135 A P E +h 79 0C 8 0, 0.0 85,-0.4 0, 0.0 2,-0.3 -0.407 15.3 172.3 -69.5 144.6 18.0 15.3 61.5 104 136 A G - 0 0 9 -25,-2.5 -23,-0.4 -2,-0.1 2,-0.2 -0.957 34.2 -91.8-143.7 167.7 18.7 17.9 64.1 105 137 A T > - 0 0 11 -2,-0.3 3,-1.7 127,-0.1 399,-0.0 -0.509 20.3-133.7 -81.1 142.3 20.7 21.1 64.5 106 138 A I T 3 S+ 0 0 53 -25,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.532 102.4 77.1 -66.6 -7.8 24.2 21.1 65.9 107 139 A Q T 3 S+ 0 0 60 397,-0.1 -1,-0.3 2,-0.0 399,-0.1 0.571 71.9 119.7 -72.2 -11.5 23.0 24.1 68.0 108 140 A M < - 0 0 9 -3,-1.7 2,-0.2 396,-0.2 26,-0.1 -0.296 54.1-145.1 -64.6 139.0 21.2 21.6 70.3 109 141 A K > - 0 0 58 393,-0.1 4,-2.0 25,-0.1 3,-0.4 -0.469 35.9 -92.0 -95.7 170.6 22.0 21.4 74.0 110 142 A S H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.840 125.1 52.4 -57.2 -38.6 22.0 18.2 76.1 111 143 A T H > S+ 0 0 78 391,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.899 108.6 51.0 -65.5 -40.2 18.3 18.6 77.2 112 144 A D H > S+ 0 0 12 -3,-0.4 4,-1.7 390,-0.3 -1,-0.2 0.900 112.6 47.2 -59.5 -44.7 17.2 19.0 73.5 113 145 A I H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.914 110.8 49.8 -65.4 -44.5 19.1 15.8 72.6 114 146 A L H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.899 108.4 54.0 -64.0 -42.2 17.7 13.7 75.5 115 147 A Y H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.938 113.6 42.5 -55.0 -46.6 14.1 14.8 74.7 116 148 A R H X S+ 0 0 37 -4,-1.7 4,-2.1 1,-0.2 6,-0.2 0.899 114.6 47.9 -73.0 -42.6 14.6 13.6 71.1 117 149 A L H X>S+ 0 0 5 -4,-2.8 5,-1.1 2,-0.2 4,-0.8 0.861 116.9 43.7 -64.8 -38.0 16.4 10.4 71.9 118 150 A Q H <5S+ 0 0 90 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.928 115.1 47.2 -74.5 -47.2 13.9 9.4 74.5 119 151 A M H <5S+ 0 0 57 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.892 121.9 35.7 -56.0 -47.3 10.8 10.4 72.6 120 152 A S H <5S- 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.638 97.1-136.8 -79.9 -19.2 12.0 8.6 69.4 121 153 A K T <5 - 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