==== 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-SEP-08 3EQ6 . COMPND 2 MOLECULE: ACYL-COENZYME A SYNTHETASE ACSM2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,G.KOCHAN,W.W.YUE,C.BHATIA,F.VON DELFT,C.H.ARROWSMI . 1066 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 13.5 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 . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 89 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 2 1 5 4 5 4 1 6 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 7 9 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 . 7 6 2 4 6 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 0 2 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 37 A H 0 0 144 0, 0.0 381,-5.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.9 -20.2 -0.9 4.1 2 38 A Q - 0 0 27 379,-0.2 2,-0.6 2,-0.1 379,-0.0 -0.994 360.0-146.4-139.8 148.7 -18.7 2.1 6.0 3 39 A E + 0 0 132 379,-0.4 381,-0.1 -2,-0.3 378,-0.0 -0.750 53.7 115.7-113.4 81.9 -17.2 2.9 9.5 4 40 A V S S- 0 0 42 -2,-0.6 -2,-0.1 1,-0.0 4,-0.1 -0.863 70.8 -83.1-133.8 167.6 -18.1 6.6 10.3 5 41 A P - 0 0 69 0, 0.0 171,-0.2 0, 0.0 195,-0.1 -0.381 46.1-114.4 -61.5 155.6 -20.1 8.6 12.7 6 42 A A S S+ 0 0 89 169,-0.1 170,-2.2 170,-0.1 171,-0.4 0.856 98.1 33.6 -62.4 -33.5 -23.8 8.8 11.8 7 43 A K B +A 175 0A 97 168,-0.3 2,-0.3 169,-0.1 168,-0.3 -0.906 63.0 163.4-125.2 147.6 -23.5 12.5 11.2 8 44 A F + 0 0 14 166,-1.3 2,-0.3 -2,-0.3 191,-0.1 -0.945 7.2 173.2-156.6 150.4 -20.8 14.9 10.0 9 45 A N > - 0 0 2 -2,-0.3 4,-3.4 1,-0.1 5,-0.4 -0.853 25.0-147.4-155.9 120.4 -20.6 18.5 8.7 10 46 A F H >>S+ 0 0 2 -2,-0.3 5,-2.3 1,-0.2 4,-2.2 0.910 99.8 51.9 -55.9 -40.7 -17.3 20.3 7.9 11 47 A A H 4>S+ 0 0 0 3,-0.2 5,-3.7 1,-0.2 6,-0.2 0.939 120.6 28.7 -65.5 -52.0 -18.8 23.6 9.0 12 48 A S H 45S+ 0 0 48 3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 127.9 42.5 -79.8 -33.9 -20.2 22.6 12.3 13 49 A D H <5S+ 0 0 80 -4,-3.4 -3,-0.2 3,-0.1 -2,-0.2 0.669 135.3 7.1 -88.7 -15.7 -17.7 19.9 13.1 14 50 A V T >X5S+ 0 0 5 -4,-2.2 4,-1.5 -5,-0.4 3,-0.6 0.609 128.3 44.5-125.8 -61.6 -14.5 21.7 12.0 15 51 A L H >> S+ 0 0 91 -3,-0.6 4,-1.8 -6,-0.2 -1,-0.3 0.933 105.4 44.0 -62.4 -44.0 -14.7 24.5 16.3 18 54 A W H S+ 0 0 46 -4,-1.8 5,-2.3 2,-0.2 6,-1.3 0.862 110.2 43.7 -58.0 -41.7 -12.1 28.7 20.3 22 58 A E H ><5S+ 0 0 19 -4,-1.4 3,-1.7 -3,-0.4 -2,-0.2 0.944 114.1 51.0 -65.0 -49.9 -11.6 32.4 19.3 23 59 A K H 3<5S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.876 112.6 46.9 -53.5 -40.6 -15.0 33.3 20.9 24 60 A A T 3<5S- 0 0 60 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.446 112.5-122.5 -82.2 -2.8 -13.9 31.5 24.1 25 61 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.710 78.9 122.8 67.7 15.5 -10.5 33.2 24.0 26 62 A K S -B 31 0B 25 -2,-0.5 4,-3.0 -15,-0.3 5,-0.2 -0.222 44.3 -88.2 -74.9-176.8 -10.5 35.2 10.9 47 83 A F H > S+ 0 0 0 -17,-0.9 4,-1.7 2,-0.2 -28,-0.3 0.837 126.8 50.1 -71.4 -34.0 -12.4 32.1 11.9 48 84 A R H > S+ 0 0 109 2,-0.2 4,-3.4 -30,-0.2 -1,-0.2 0.905 114.6 45.2 -65.3 -43.8 -15.3 33.8 13.8 49 85 A E H > S+ 0 0 79 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.942 111.6 51.6 -66.3 -50.5 -15.8 36.1 10.9 50 86 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.856 115.0 45.4 -49.1 -40.8 -15.6 33.3 8.4 51 87 A S H X S+ 0 0 3 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.954 115.2 44.4 -71.1 -52.0 -18.2 31.5 10.5 52 88 A E H X S+ 0 0 48 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.931 116.0 47.4 -57.4 -46.0 -20.5 34.5 11.0 53 89 A N H X S+ 0 0 26 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.855 111.2 49.3 -70.8 -37.4 -20.3 35.5 7.3 54 90 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.709 106.9 56.7 -73.6 -24.4 -20.9 31.9 6.0 55 91 A Q H X S+ 0 0 20 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.880 106.4 50.4 -69.5 -37.3 -23.9 31.7 8.3 56 92 A Q H X S+ 0 0 29 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.946 107.9 52.8 -57.7 -46.9 -25.1 34.8 6.6 57 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.942 109.0 49.0 -51.3 -51.8 -24.4 32.9 3.4 58 94 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 5,-0.4 0.897 109.1 51.7 -60.0 -44.9 -26.6 29.9 4.6 59 95 A N H X>S+ 0 0 39 -4,-2.5 4,-2.2 107,-0.3 5,-1.4 0.837 108.6 52.8 -63.3 -31.8 -29.5 32.3 5.6 60 96 A V H <>S+ 0 0 2 -4,-2.2 5,-2.9 -3,-0.3 6,-0.2 0.943 114.2 41.2 -63.9 -46.7 -29.3 33.8 2.1 61 97 A L H <5S+ 0 0 0 -4,-2.0 6,-2.5 3,-0.2 -2,-0.2 0.906 128.9 28.8 -69.6 -45.3 -29.6 30.4 0.4 62 98 A S H <5S+ 0 0 40 -4,-3.0 -3,-0.2 4,-0.2 -2,-0.2 0.774 131.6 30.8 -88.3 -31.9 -32.3 28.9 2.8 63 99 A G T <5S+ 0 0 53 -4,-2.2 3,-0.3 -5,-0.4 -3,-0.2 0.916 128.1 29.1 -91.9 -70.0 -34.2 32.1 3.9 64 100 A A T - 0 0 134 1,-0.1 3,-2.9 4,-0.0 -1,-0.1 -0.802 27.9 -73.5-118.0 156.3 -34.2 23.3 0.9 69 105 A R T 3 S+ 0 0 126 -2,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.101 120.5 19.5 -44.7 126.9 -32.2 20.4 2.2 70 106 A G T 3 S+ 0 0 40 24,-2.7 -1,-0.3 1,-0.3 25,-0.1 0.248 89.3 131.6 93.4 -13.9 -31.2 18.3 -0.7 71 107 A D < - 0 0 14 -3,-2.9 25,-2.7 23,-0.2 2,-0.5 -0.444 55.4-123.4 -70.3 152.9 -31.6 21.0 -3.4 72 108 A R E -h 96 0C 55 45,-0.3 47,-2.3 23,-0.2 48,-1.3 -0.849 21.4-165.0-107.2 134.9 -28.8 21.4 -5.9 73 109 A V E -hi 97 120C 0 23,-2.8 25,-2.3 -2,-0.5 2,-0.2 -0.966 11.8-144.1-124.9 114.7 -27.0 24.6 -6.4 74 110 A A E -hi 98 121C 8 46,-2.6 48,-2.5 -2,-0.5 2,-0.4 -0.590 15.6-162.0 -74.4 139.2 -24.7 25.3 -9.4 75 111 A V E +hi 99 122C 0 23,-1.8 25,-2.3 -2,-0.2 2,-0.4 -0.963 19.5 165.3-131.6 111.7 -21.7 27.5 -8.5 76 112 A V E + i 0 123C 4 46,-2.9 48,-1.0 -2,-0.4 51,-0.3 -0.800 25.0 141.3-130.6 85.4 -19.8 29.2 -11.3 77 113 A L - 0 0 0 -2,-0.4 150,-0.3 23,-0.4 25,-0.3 -0.919 45.6-125.8-126.9 148.3 -17.6 31.9 -9.8 78 114 A P - 0 0 21 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.085 63.8 -60.3 -74.7-166.1 -14.1 33.2 -10.3 79 115 A R S S+ 0 0 40 172,-0.4 147,-0.0 4,-0.1 173,-0.0 -0.458 89.0 131.1 -83.7 69.1 -11.6 33.4 -7.4 80 116 A V S >> S- 0 0 23 -2,-1.9 3,-1.7 -45,-0.1 4,-0.6 -0.805 70.5-110.4-116.3 153.8 -13.6 35.7 -5.1 81 117 A P H >> S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.819 109.4 74.5 -56.5 -30.1 -14.2 35.2 -1.5 82 118 A E H 3> S+ 0 0 15 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.728 86.7 63.2 -60.5 -21.5 -17.9 34.6 -2.1 83 119 A W H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 -1,-0.3 0.970 107.4 41.8 -66.4 -47.8 -17.1 31.1 -3.6 84 120 A W H S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.2 4,-0.7 0.893 109.7 53.1 -61.9 -42.0 -24.5 25.2 1.1 91 127 A I H <5S+ 0 0 2 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.877 111.6 45.6 -64.9 -37.6 -22.8 23.0 3.6 92 128 A R H <5S+ 0 0 1 -4,-2.3 80,-2.8 1,-0.2 -2,-0.2 0.911 116.8 43.8 -68.9 -43.1 -24.6 24.7 6.5 93 129 A A H <5S- 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.370 113.6-115.9 -87.0 2.9 -28.0 24.6 4.8 94 130 A G T <5 + 0 0 1 -4,-0.7 -24,-2.7 -3,-0.4 2,-0.3 0.888 62.9 151.3 66.6 38.9 -27.6 21.0 3.6 95 131 A L < - 0 0 0 -5,-3.2 2,-0.6 -26,-0.2 -1,-0.2 -0.818 50.3-119.1-101.9 144.3 -27.5 22.1 -0.0 96 132 A I E -h 72 0C 10 -25,-2.7 -23,-2.8 -2,-0.3 2,-0.3 -0.740 30.8-149.1 -87.5 116.5 -25.7 20.0 -2.7 97 133 A F E -hj 73 181C 0 83,-2.5 85,-2.2 -2,-0.6 -23,-0.2 -0.686 12.3-168.0 -94.2 140.8 -23.1 22.3 -4.2 98 134 A M E -h 74 0C 8 -25,-2.3 -23,-1.8 -2,-0.3 85,-0.1 -0.709 9.8-161.6-129.8 83.2 -22.0 21.8 -7.8 99 135 A P E +h 75 0C 8 0, 0.0 85,-0.4 0, 0.0 2,-0.3 -0.300 15.3 167.4 -72.4 145.0 -18.9 23.8 -8.8 100 136 A G - 0 0 8 -25,-2.3 -23,-0.4 83,-0.1 2,-0.3 -0.933 34.8 -91.9-141.8 175.2 -18.0 24.5 -12.4 101 137 A T > - 0 0 4 -2,-0.3 3,-2.0 127,-0.1 399,-0.1 -0.689 18.6-132.4 -95.0 145.7 -15.6 26.7 -14.3 102 138 A I T 3 S+ 0 0 50 -2,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.495 102.6 77.5 -65.8 -7.7 -16.3 30.2 -15.6 103 139 A Q T 3 S+ 0 0 61 397,-0.1 -1,-0.3 2,-0.0 399,-0.0 0.591 72.8 115.6 -71.2 -13.7 -14.7 28.9 -18.9 104 140 A M < - 0 0 6 -3,-2.0 2,-0.2 396,-0.2 26,-0.1 -0.207 57.2-145.1 -59.9 148.0 -18.0 27.1 -19.5 105 141 A K > - 0 0 57 393,-0.2 4,-2.0 25,-0.1 3,-0.3 -0.594 36.0 -88.5-103.2 174.5 -20.2 28.1 -22.5 106 142 A S H > S+ 0 0 32 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.872 126.1 49.6 -53.8 -45.0 -24.0 28.2 -22.6 107 143 A T H > S+ 0 0 79 391,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.874 107.7 54.0 -65.3 -39.7 -24.3 24.6 -23.7 108 144 A D H > S+ 0 0 12 -3,-0.3 4,-1.7 390,-0.3 -1,-0.2 0.929 113.6 44.3 -53.6 -44.6 -22.0 23.3 -21.0 109 145 A I H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.928 111.0 51.2 -73.3 -47.2 -24.2 25.1 -18.5 110 146 A L H X S+ 0 0 26 -4,-3.0 4,-2.9 1,-0.2 5,-0.4 0.928 107.9 54.7 -50.4 -50.1 -27.5 24.0 -19.9 111 147 A Y H X S+ 0 0 55 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.897 111.8 43.6 -54.9 -43.8 -26.2 20.4 -19.9 112 148 A R H X S+ 0 0 38 -4,-1.7 4,-2.6 2,-0.2 6,-0.3 0.922 114.6 47.0 -70.7 -43.8 -25.4 20.6 -16.2 113 149 A L H X>S+ 0 0 5 -4,-2.6 4,-1.7 2,-0.2 5,-1.0 0.939 117.3 43.2 -64.8 -46.3 -28.6 22.4 -15.1 114 150 A Q H <5S+ 0 0 94 -4,-2.9 3,-0.2 -5,-0.2 -2,-0.2 0.966 117.6 46.0 -63.6 -50.1 -30.9 20.0 -17.1 115 151 A M H <5S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.873 122.9 34.4 -56.9 -46.1 -29.0 16.9 -16.0 116 152 A S H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.632 95.4-136.5 -86.3 -16.5 -28.8 17.9 -12.3 117 153 A K T <5 - 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0 0 7 -3,-2.5 3,-1.8 1,-0.1 -1,-0.1 -0.775 56.7-178.4-121.1 87.8 -34.4 24.6 -17.3 139 175 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 0.687 81.1 54.8 -68.1 -18.2 -37.7 24.1 -15.6 140 176 A S T 3 S+ 0 0 48 -27,-0.1 2,-0.6 -22,-0.0 -26,-0.0 0.638 84.0 104.1 -81.1 -14.8 -36.3 23.1 -12.2 141 177 A L < + 0 0 27 -3,-1.8 -22,-0.2 -6,-0.2 -21,-0.2 -0.567 32.0 150.8 -77.5 115.9 -34.2 26.3 -12.0 142 178 A R + 0 0 124 -23,-2.3 2,-0.4 -2,-0.6 -22,-0.2 0.819 54.0 53.8-105.3 -44.7 -35.8 28.8 -9.6 143 179 A I E -k 120 0C 18 -24,-2.7 -22,-2.2 12,-0.0 2,-0.5 -0.842 47.7-179.6-114.9 129.9 -33.0 30.9 -8.2 144 180 A K E -k 121 0C 39 -2,-0.4 12,-3.1 -24,-0.2 2,-0.5 -0.974 11.7-173.6-125.8 110.9 -30.3 32.9 -9.9 145 181 A L E -kl 122 156C 0 -24,-2.9 -22,-2.6 -2,-0.5 2,-0.5 -0.930 8.8-154.5-112.9 123.0 -27.9 34.6 -7.5 146 182 A L E -kl 123 157C 6 10,-3.3 12,-2.0 -2,-0.5 2,-0.8 -0.864 8.9-157.0-107.2 129.6 -25.4 37.0 -9.0 147 183 A V + 0 0 11 -24,-3.2 -22,-0.5 -2,-0.5 2,-0.3 -0.921 51.4 112.2-101.0 106.0 -22.1 37.8 -7.3 148 184 A S S S- 0 0 9 -2,-0.8 11,-0.2 -24,-0.2 -2,-0.1 -0.985 76.7-116.8-166.9 159.6 -21.2 41.2 -8.8 149 185 A E S S+ 0 0 169 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.759 102.3 64.9 -77.1 -27.2 -20.7 44.9 -8.3 150 186 A K S S- 0 0 98 -3,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.506 78.3-137.7 -86.8 159.7 -23.6 45.4 -10.8 151 187 A S - 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