==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-05 2F9A . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL COENZYME A SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA JUNCEA; . AUTHOR F.POJER,J.L.FERRER,S.B.RICHARD,J.P.NOEL . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 14.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 1 1 0 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 0 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 PARALLEL BRIDGES PER LADDER . 0 3 1 0 1 0 1 3 0 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 . 1 2 0 0 0 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 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 2 A A 0 0 78 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 95.3 -5.9 2.0 28.3 2 3 A K + 0 0 153 1,-0.2 169,-2.8 0, 0.0 170,-0.2 -0.822 360.0 16.3-123.8 157.5 -5.4 -0.4 25.4 3 4 A N S S- 0 0 96 -2,-0.3 169,-2.6 167,-0.2 2,-0.2 0.913 79.5-172.4 47.4 54.2 -3.1 -0.6 22.3 4 5 A V + 0 0 3 -3,-0.2 172,-2.1 166,-0.2 2,-0.3 -0.519 27.7 94.6 -80.7 138.8 -0.6 1.8 23.9 5 6 A G E S-AB 169 175A 0 164,-2.2 164,-1.8 170,-0.2 2,-0.6 -0.930 73.8 -14.9 177.6-149.8 2.3 3.0 21.9 6 7 A I E +AB 168 174A 0 168,-1.6 168,-0.8 -2,-0.3 162,-0.2 -0.697 44.9 173.1 -87.1 118.6 3.5 5.8 19.6 7 8 A L E + 0 0 3 160,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.776 67.7 1.5 -88.5 -32.3 0.7 8.1 18.3 8 9 A A E -A 167 0A 0 159,-0.8 159,-2.8 323,-0.1 2,-0.3 -0.967 63.3-167.4-163.3 154.7 2.7 10.8 16.6 9 10 A M E +A 166 0A 0 -2,-0.3 2,-0.3 157,-0.2 157,-0.2 -0.997 6.6 178.2-156.8 144.4 6.4 11.6 15.9 10 11 A D E -A 165 0A 1 155,-1.8 155,-2.4 -2,-0.3 2,-0.4 -0.984 9.9-156.1-149.9 160.9 8.7 14.3 14.7 11 12 A I E -A 164 0A 3 -2,-0.3 2,-0.4 153,-0.2 153,-0.2 -0.995 5.5-173.7-140.0 136.8 12.4 14.9 14.1 12 13 A Y E +A 163 0A 30 151,-2.3 151,-2.8 -2,-0.4 47,-0.1 -0.995 8.4 169.6-126.7 139.6 14.6 17.8 14.0 13 14 A F - 0 0 12 -2,-0.4 149,-0.2 149,-0.2 32,-0.0 -0.965 45.8 -91.1-138.8 152.5 18.3 17.9 13.1 14 15 A P - 0 0 0 0, 0.0 147,-0.1 0, 0.0 31,-0.1 -0.366 28.8-135.2 -63.9 144.2 20.5 20.9 12.4 15 16 A P S S+ 0 0 16 0, 0.0 335,-3.1 0, 0.0 2,-0.3 0.689 79.3 94.8 -75.5 -13.1 20.5 21.9 8.7 16 17 A T E +j 350 0B 0 29,-0.3 29,-2.2 333,-0.2 2,-0.3 -0.609 54.0 153.2 -84.0 132.8 24.3 22.4 8.7 17 18 A C E -jK 351 44B 5 333,-2.1 335,-3.0 -2,-0.3 2,-0.4 -0.962 35.1-137.0-154.7 166.7 26.4 19.4 7.6 18 19 A V E - K 0 43B 1 25,-2.3 25,-2.0 -2,-0.3 2,-0.3 -0.985 29.3-115.0-131.7 139.9 29.7 18.1 6.1 19 20 A Q E > - K 0 42B 68 333,-0.4 4,-2.3 -2,-0.4 23,-0.2 -0.583 14.1-141.5 -75.2 131.5 30.2 15.4 3.5 20 21 A Q H > S+ 0 0 2 21,-1.9 4,-2.2 -2,-0.3 5,-0.1 0.889 101.9 51.0 -59.5 -42.2 32.0 12.2 4.7 21 22 A E H > S+ 0 0 132 20,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.923 109.9 48.6 -62.3 -46.1 33.9 11.9 1.4 22 23 A A H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 111.5 52.4 -59.4 -38.7 35.1 15.5 1.4 23 24 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 6,-0.2 0.859 103.3 55.6 -66.2 -40.6 36.2 14.9 5.1 24 25 A E H < S+ 0 0 6 -4,-2.2 5,-0.3 2,-0.2 -1,-0.2 0.917 110.7 46.6 -53.6 -47.1 38.2 11.8 4.1 25 26 A A H < S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.954 111.8 49.3 -62.2 -52.1 40.1 14.0 1.6 26 27 A H H < S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.891 113.3 54.5 -55.0 -42.8 40.6 16.8 4.1 27 28 A D S < S- 0 0 31 -4,-2.9 0, 0.0 -5,-0.1 0, 0.0 -0.249 107.2 -97.5 -80.6 177.1 41.9 14.3 6.7 28 29 A G S S+ 0 0 91 -2,-0.0 -4,-0.1 2,-0.0 -3,-0.1 0.588 79.8 135.4 -65.8 -5.1 44.8 11.9 6.0 29 30 A A - 0 0 25 -5,-0.3 3,-0.1 -6,-0.2 2,-0.1 -0.104 54.2-127.4 -72.4 139.6 42.3 9.2 5.2 30 31 A S > - 0 0 83 1,-0.2 3,-1.2 2,-0.1 -1,-0.1 -0.399 54.1 -65.5 -70.8 150.1 42.4 6.8 2.2 31 32 A K T 3 S+ 0 0 204 1,-0.2 -1,-0.2 2,-0.1 -10,-0.0 0.009 118.7 9.0 -38.1 130.7 39.3 6.5 -0.1 32 33 A G T 3>>S+ 0 0 15 -3,-0.1 5,-2.1 4,-0.1 4,-1.0 0.684 79.9 130.6 71.0 21.6 36.2 5.1 1.6 33 34 A K T <45S+ 0 0 131 -3,-1.2 5,-0.4 3,-0.2 -2,-0.1 0.833 89.8 20.8 -72.9 -30.2 37.5 5.1 5.2 34 35 A Y T >>S+ 0 0 28 3,-0.2 6,-1.8 4,-0.1 5,-1.3 0.835 127.8 47.6-100.1 -49.3 34.3 6.8 6.4 35 36 A T T 45S+ 0 0 30 4,-0.2 -2,-0.1 3,-0.2 -14,-0.1 0.753 133.3 17.1 -66.2 -28.1 31.8 6.1 3.5 36 37 A I T <5S+ 0 0 121 -4,-1.0 -3,-0.2 3,-0.1 -1,-0.1 0.783 128.2 47.4-109.0 -56.3 32.7 2.3 3.5 37 38 A G T 4 - 0 0 1 -2,-0.4 3,-2.6 4,-0.0 314,-0.0 -0.421 47.4 -79.4 -83.7 175.2 26.7 25.5 15.1 48 49 A E T 3 S+ 0 0 10 1,-0.3 343,-0.1 -2,-0.2 329,-0.1 0.714 130.0 60.1 -48.6 -25.4 26.9 28.1 18.0 49 50 A L T 3 S+ 0 0 0 327,-0.1 342,-2.6 341,-0.1 2,-0.4 0.573 100.2 60.7 -82.2 -12.9 23.2 28.8 17.5 50 51 A E < + 0 0 3 -3,-2.6 2,-0.3 340,-0.2 340,-0.1 -0.940 52.4 154.3-127.3 143.5 21.9 25.3 18.2 51 52 A D > - 0 0 14 -2,-0.4 4,-3.0 -5,-0.0 5,-0.3 -0.891 59.5 -80.1-148.5 179.4 22.0 22.8 21.1 52 53 A V H > S+ 0 0 1 -2,-0.3 4,-1.2 1,-0.2 5,-0.0 0.784 127.3 51.4 -58.7 -26.8 20.1 19.9 22.6 53 54 A I H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.972 111.9 42.1 -75.0 -54.3 17.7 22.3 24.2 54 55 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 335,-0.3 0.895 113.9 53.6 -59.2 -42.2 16.8 24.4 21.1 55 56 A M H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.883 107.5 52.3 -59.4 -39.0 16.6 21.2 19.0 56 57 A S H X S+ 0 0 0 -4,-1.2 4,-2.5 -5,-0.3 5,-0.3 0.889 107.3 51.0 -64.3 -41.6 14.1 19.9 21.6 57 58 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.886 109.5 51.6 -61.3 -41.6 11.9 23.0 21.2 58 59 A N H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.970 113.4 43.6 -57.8 -52.1 11.9 22.5 17.5 59 60 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.889 117.7 42.9 -62.1 -47.7 10.8 18.9 17.7 60 61 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.907 115.0 49.8 -67.6 -45.2 8.1 19.4 20.4 61 62 A T H X S+ 0 0 39 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.921 111.7 48.9 -58.1 -45.4 6.7 22.6 18.8 62 63 A S H X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.889 111.0 49.1 -65.4 -41.4 6.5 20.9 15.4 63 64 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 6,-0.3 0.955 114.8 43.9 -61.9 -53.9 4.7 17.8 16.8 64 65 A L H <>S+ 0 0 20 -4,-2.2 5,-1.4 1,-0.2 -2,-0.2 0.844 118.3 44.9 -61.6 -39.0 2.1 19.8 18.7 65 66 A E H <5S+ 0 0 130 -4,-2.4 3,-0.2 -5,-0.2 -1,-0.2 0.932 118.8 39.8 -70.1 -45.9 1.6 22.3 15.9 66 67 A K H <5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.821 120.9 39.2 -82.5 -36.0 1.3 19.7 13.0 67 68 A Y T <5S- 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.332 111.3-123.7 -89.7 3.9 -0.7 16.9 14.7 68 69 A K T 5 + 0 0 182 -3,-0.2 2,-0.4 -5,-0.2 -3,-0.2 0.860 46.9 171.3 56.1 47.1 -2.7 19.7 16.3 69 70 A I < - 0 0 15 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.710 32.7-127.7 -89.7 133.7 -2.2 18.6 19.9 70 71 A D > - 0 0 72 -2,-0.4 3,-2.2 1,-0.1 4,-0.1 -0.669 12.7-137.1 -80.4 127.9 -3.3 20.9 22.7 71 72 A P G > S+ 0 0 38 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.796 103.5 62.5 -56.0 -32.3 -0.4 21.6 25.2 72 73 A K G 3 S+ 0 0 100 1,-0.2 -2,-0.0 30,-0.0 27,-0.0 0.648 92.4 69.7 -63.6 -15.5 -2.9 21.2 28.2 73 74 A Q G < S+ 0 0 83 -3,-2.2 66,-2.7 65,-0.1 2,-0.6 0.412 75.8 94.6 -89.4 1.5 -3.3 17.6 26.9 74 75 A I E < +c 139 0A 0 -3,-1.4 66,-0.2 64,-0.2 3,-0.1 -0.835 41.4 168.8 -93.8 121.9 0.2 16.5 27.9 75 76 A G E + 0 0 3 64,-3.3 33,-2.0 -2,-0.6 2,-0.4 0.689 67.8 31.4-106.7 -24.5 0.3 14.8 31.3 76 77 A R E -cd 140 108A 44 63,-1.2 65,-2.1 31,-0.2 2,-0.4 -0.989 60.8-177.2-136.8 129.4 3.8 13.3 31.3 77 78 A L E +c 141 0A 0 31,-2.6 2,-0.4 -2,-0.4 65,-0.2 -0.990 10.7 177.1-124.2 120.2 6.9 14.8 29.6 78 79 A E E -c 142 0A 6 63,-2.9 65,-2.6 -2,-0.4 2,-0.4 -0.960 14.3-152.6-127.6 146.7 10.2 12.9 29.7 79 80 A V E -ce 143 111A 0 31,-2.0 33,-2.9 -2,-0.4 2,-0.4 -0.959 2.2-163.5-120.4 131.6 13.7 13.5 28.2 80 81 A G E +ce 144 112A 0 63,-3.4 65,-2.1 -2,-0.4 2,-0.3 -0.929 34.0 125.1-107.0 134.1 16.4 10.9 27.2 81 82 A S - 0 0 7 31,-1.5 33,-0.3 -2,-0.4 65,-0.2 -0.981 50.2-151.8-169.1 164.1 19.9 12.2 26.6 82 83 A E + 0 0 25 63,-0.4 2,-0.9 -2,-0.3 64,-0.1 0.173 70.0 106.5-125.9 12.6 23.6 12.0 27.5 83 84 A T - 0 0 25 62,-0.5 2,-0.6 65,-0.0 65,-0.0 -0.804 62.2-152.6 -91.6 104.9 24.4 15.6 26.6 84 85 A V + 0 0 83 -2,-0.9 3,-0.1 1,-0.2 6,-0.1 -0.672 30.8 161.6 -89.3 117.5 24.9 17.3 30.0 85 86 A I S S+ 0 0 60 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.791 77.2 7.5 -94.9 -39.5 24.1 21.1 30.2 86 87 A D - 0 0 77 3,-0.4 -1,-0.4 1,-0.0 5,-0.1 -0.960 63.2-136.4-140.5 151.0 23.7 21.3 34.0 87 88 A K S S+ 0 0 181 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.510 105.9 21.6 -86.8 -5.1 24.4 18.6 36.7 88 89 A S S S+ 0 0 112 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.673 107.3 74.1-122.9 -49.5 21.2 19.5 38.5 89 90 A K S S- 0 0 93 1,-0.1 -3,-0.4 3,-0.0 -4,-0.2 -0.654 75.2-140.8 -82.7 113.3 18.7 21.2 36.1 90 91 A S >> - 0 0 24 -2,-0.6 4,-1.1 1,-0.1 3,-0.7 -0.314 19.7-118.9 -71.1 151.8 17.2 18.7 33.7 91 92 A I H 3> S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.855 113.7 67.6 -55.1 -32.8 16.6 19.3 30.0 92 93 A K H 3> S+ 0 0 11 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.878 92.3 55.9 -56.8 -43.3 12.9 18.6 30.9 93 94 A T H X4 S+ 0 0 58 -3,-0.7 3,-1.0 1,-0.2 4,-0.4 0.923 105.2 52.9 -59.8 -43.0 12.7 21.8 33.1 94 95 A F H >< S+ 0 0 30 -4,-1.1 3,-1.9 1,-0.2 4,-0.3 0.921 104.7 56.1 -51.7 -48.8 13.7 23.9 30.0 95 96 A L H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.3 4,-0.3 0.698 89.9 73.6 -60.6 -22.2 11.0 22.3 27.9 96 97 A M T XX S+ 0 0 28 -4,-1.0 3,-1.4 -3,-1.0 4,-0.8 0.686 76.0 81.5 -66.6 -18.6 8.3 23.4 30.5 97 98 A Q H X> S+ 0 0 91 -3,-1.9 3,-0.9 -4,-0.4 4,-0.7 0.897 88.7 53.9 -49.6 -42.2 8.8 26.9 29.1 98 99 A L H <4 S+ 0 0 46 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.701 108.9 48.8 -67.0 -21.0 6.4 25.8 26.3 99 100 A F H X4>S+ 0 0 1 -3,-1.4 5,-2.3 -4,-0.3 3,-0.5 0.502 94.5 72.0-101.5 -5.3 3.8 24.8 28.7 100 101 A E H X<5S+ 0 0 104 -3,-0.9 3,-2.1 -4,-0.8 -2,-0.1 0.900 85.1 61.3 -81.5 -43.2 3.6 27.9 31.1 101 102 A K T 3<5S+ 0 0 180 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.059 114.1 39.8 -81.6 28.1 1.9 30.5 28.9 102 103 A C T < 5S- 0 0 37 -3,-0.5 -1,-0.3 -31,-0.1 -2,-0.2 0.152 116.3-115.2-143.5 6.9 -1.1 28.1 28.7 103 104 A G T < 5 + 0 0 57 -3,-2.1 2,-1.1 1,-0.2 3,-0.2 0.647 65.2 140.4 77.3 19.0 -0.9 27.0 32.4 104 105 A N < + 0 0 9 -5,-2.3 -1,-0.2 1,-0.2 -3,-0.1 -0.639 13.7 136.3 -94.0 80.1 -0.1 23.3 32.1 105 106 A T + 0 0 104 -2,-1.1 2,-1.7 1,-0.1 -1,-0.2 0.562 43.9 91.3-100.5 -11.8 2.4 22.9 34.9 106 107 A D + 0 0 122 -3,-0.2 2,-0.4 -30,-0.0 -1,-0.1 -0.621 57.8 136.1 -86.0 78.1 1.0 19.6 36.3 107 108 A V - 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