==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-02 1O93 . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR B.GONZALEZ,M.A.PAJARES,J.A.HERMOSO,J.SANZ-APARICIO . 737 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 52 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 2 0 2 0 2 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 4 0 0 4 0 0 2 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 4 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 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 17 A G 0 0 66 0, 0.0 162,-0.1 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0 46.8 -5.1 43.7 20.1 2 18 A A + 0 0 77 162,-0.1 2,-0.2 1,-0.1 161,-0.2 0.448 360.0 140.5 -22.2 145.0 -6.2 43.0 23.7 3 19 A F E -A 162 0A 23 159,-0.8 159,-3.1 672,-0.1 2,-0.3 -0.864 37.4-124.6-177.1 160.9 -4.5 40.5 26.1 4 20 A M E -A 161 0A 10 -2,-0.2 2,-0.3 157,-0.2 157,-0.2 -0.854 18.5-164.7-122.6 160.6 -3.8 40.6 29.8 5 21 A F E -A 160 0A 8 155,-2.0 155,-2.2 -2,-0.3 2,-0.3 -0.998 4.0-159.6-146.9 148.2 -0.7 40.2 31.9 6 22 A T E +A 159 0A 11 -2,-0.3 2,-0.3 153,-0.3 153,-0.2 -0.960 10.3 175.9-130.6 145.8 0.3 39.6 35.5 7 23 A S E -A 158 0A 6 151,-1.8 151,-2.6 -2,-0.3 2,-0.3 -0.950 10.3-153.7-143.4 160.6 3.5 40.2 37.4 8 24 A E E -A 157 0A 43 -2,-0.3 2,-0.3 149,-0.2 149,-0.3 -0.884 9.1-176.4-136.5 168.4 4.6 39.8 41.0 9 25 A S E -A 156 0A 1 147,-2.4 147,-3.4 -2,-0.3 2,-0.3 -0.973 13.9-141.1-157.8 158.4 7.1 41.1 43.6 10 26 A V E -A 155 0A 3 -2,-0.3 341,-0.5 145,-0.2 145,-0.2 -0.908 19.9-114.5-128.6 153.9 8.1 40.4 47.2 11 27 A G > - 0 0 0 143,-2.3 3,-1.5 -2,-0.3 6,-0.2 -0.191 39.4 -94.6 -78.1 175.7 9.0 42.6 50.1 12 28 A E T 3 S+ 0 0 13 1,-0.3 141,-0.2 140,-0.2 9,-0.1 0.630 122.3 60.6 -65.1 -15.6 12.4 42.8 51.9 13 29 A G T 3 S+ 0 0 0 139,-1.6 140,-0.4 138,-0.1 -1,-0.3 0.555 72.1 115.8 -90.3 -10.4 11.1 40.2 54.4 14 30 A H S <> S- 0 0 32 -3,-1.5 4,-1.9 138,-0.3 3,-0.5 -0.442 74.5-124.1 -62.2 128.8 10.5 37.4 51.9 15 31 A P H > S+ 0 0 7 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.864 109.9 47.4 -39.1 -53.4 12.8 34.6 52.8 16 32 A D H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 221,-0.2 0.893 112.6 49.1 -61.2 -41.8 14.4 34.5 49.3 17 33 A K H > S+ 0 0 3 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.734 104.3 58.8 -71.6 -22.9 14.9 38.2 49.2 18 34 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 -3,-0.4 -1,-0.2 0.899 109.2 45.3 -69.8 -39.4 16.5 38.2 52.6 19 35 A C H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.848 110.6 53.0 -70.2 -37.6 19.1 35.9 51.2 20 36 A D H X S+ 0 0 0 -4,-1.8 4,-1.6 215,-0.3 -2,-0.2 0.915 114.4 43.3 -63.6 -42.2 19.5 38.0 48.1 21 37 A Q H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 113.1 49.6 -69.4 -47.1 20.1 41.0 50.3 22 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.924 111.6 50.4 -59.2 -43.1 22.4 39.4 52.8 23 39 A S H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.872 114.1 43.6 -62.9 -40.0 24.5 38.0 49.9 24 40 A D H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 322,-0.4 0.756 107.9 59.7 -76.9 -24.2 24.7 41.4 48.3 25 41 A A H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.890 105.3 48.9 -68.6 -39.6 25.5 43.0 51.6 26 42 A V H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.833 110.4 52.3 -67.6 -32.2 28.5 40.7 51.9 27 43 A L H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 3,-0.4 0.901 111.0 46.0 -69.1 -42.8 29.4 41.9 48.4 28 44 A D H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.949 106.7 58.9 -63.7 -47.7 29.1 45.5 49.4 29 45 A A H < S+ 0 0 19 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.734 111.2 42.4 -54.2 -26.6 31.1 44.9 52.5 30 46 A H H >X S+ 0 0 0 -4,-0.8 4,-1.7 -3,-0.4 3,-1.1 0.863 108.1 56.5 -89.2 -39.9 34.0 43.7 50.4 31 47 A L H 3< S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.841 99.1 62.7 -59.8 -35.0 33.9 46.3 47.6 32 48 A K T 3< S+ 0 0 154 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.773 118.0 26.3 -62.6 -28.2 34.2 49.1 50.2 33 49 A Q T <4 S+ 0 0 109 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.511 139.6 20.6-111.8 -10.9 37.7 47.9 51.2 34 50 A D >< - 0 0 30 -4,-1.7 3,-2.6 26,-0.1 -1,-0.2 -0.589 58.8-169.4-162.8 90.2 38.7 46.1 48.0 35 51 A P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.454 92.9 54.9 -61.4 -4.0 37.0 47.1 44.8 36 52 A N T 3 S+ 0 0 79 -6,-0.2 -5,-0.1 -5,-0.1 305,-0.0 0.244 77.4 137.9-114.2 10.3 38.6 44.1 43.2 37 53 A A < - 0 0 0 -3,-2.6 2,-0.8 -7,-0.2 21,-0.2 -0.279 53.0-133.1 -58.0 135.2 37.3 41.6 45.7 38 54 A K B -D 57 0B 89 19,-3.6 19,-1.6 222,-0.1 2,-0.5 -0.862 29.3-172.5 -96.7 106.7 36.1 38.4 44.1 39 55 A V + 0 0 0 -2,-0.8 221,-1.7 17,-0.2 2,-0.2 -0.886 24.1 153.4-109.4 131.8 32.7 37.6 45.5 40 56 A A B +E 259 0C 35 -2,-0.5 15,-2.8 15,-0.4 2,-0.3 -0.703 30.5 134.3-152.5 83.5 30.8 34.4 45.0 41 57 A C E -F 54 0D 8 217,-2.1 2,-0.3 13,-0.3 13,-0.3 -0.918 29.0-169.0-135.7 162.1 28.5 33.7 47.9 42 58 A E E -F 53 0D 22 11,-1.9 11,-2.6 -2,-0.3 2,-0.3 -0.962 12.7-137.8-146.3 160.4 24.9 32.7 48.7 43 59 A T E -F 52 0D 0 -2,-0.3 193,-0.9 9,-0.2 2,-0.4 -0.904 8.7-168.0-125.9 152.4 22.6 32.6 51.7 44 60 A V E -FG 51 235D 6 7,-1.8 7,-3.6 -2,-0.3 2,-0.3 -0.997 13.6-175.2-136.4 135.1 20.1 30.2 53.1 45 61 A C E +FG 50 234D 0 189,-2.0 189,-3.3 -2,-0.4 5,-0.2 -0.959 15.2 168.5-135.5 155.4 17.6 30.9 55.9 46 62 A K - 0 0 46 3,-2.1 184,-0.2 -2,-0.3 185,-0.1 -0.651 68.6 -38.4-168.4 101.2 15.0 29.2 58.0 47 63 A T S S- 0 0 82 182,-0.9 37,-0.1 1,-0.2 183,-0.1 0.917 128.1 -21.6 42.8 82.6 13.4 30.6 61.2 48 64 A G S S+ 0 0 17 35,-0.6 42,-2.3 181,-0.3 2,-0.3 0.901 117.4 106.3 59.3 40.2 16.2 32.4 63.0 49 65 A M E - h 0 90D 57 40,-0.2 -3,-2.1 42,-0.0 2,-0.5 -0.836 44.6-178.8-153.2 109.4 18.9 30.4 61.2 50 66 A V E -Fh 45 91D 0 40,-4.2 42,-2.7 -2,-0.3 2,-0.6 -0.952 8.6-162.0-116.4 129.2 21.0 32.0 58.5 51 67 A L E -Fh 44 92D 23 -7,-3.6 -7,-1.8 -2,-0.5 2,-0.7 -0.942 2.1-161.6-115.3 117.0 23.7 30.1 56.6 52 68 A L E +Fh 43 93D 0 40,-2.4 42,-2.9 -2,-0.6 2,-0.3 -0.868 18.6 172.6 -99.3 116.7 26.3 32.0 54.7 53 69 A C E +Fh 42 94D 0 -11,-2.6 -11,-1.9 -2,-0.7 42,-0.2 -0.787 17.0 96.7-117.6 163.5 28.0 29.9 52.1 54 70 A G E -Fh 41 95D 0 40,-0.5 42,-2.6 -2,-0.3 2,-0.5 -0.673 58.3-101.9 142.1 165.9 30.5 30.9 49.5 55 71 A E E + h 0 96D 77 -15,-2.8 2,-0.5 -2,-0.2 -15,-0.4 -0.979 38.2 173.0-125.9 109.5 34.0 31.3 48.0 56 72 A I E - h 0 97D 0 40,-2.5 42,-1.0 -2,-0.5 2,-0.9 -0.958 20.3-160.8-130.1 118.0 35.4 34.9 48.1 57 73 A T B +D 38 0B 39 -19,-1.6 -19,-3.6 -2,-0.5 2,-0.3 -0.840 42.2 131.3 -94.3 103.1 38.9 35.9 47.2 58 74 A S - 0 0 2 -2,-0.9 2,-0.2 40,-0.4 -2,-0.1 -0.938 55.7-136.4-147.1 170.1 39.4 39.3 48.8 59 75 A M + 0 0 129 -2,-0.3 2,-0.3 -29,-0.1 40,-0.1 -0.592 66.7 102.5-131.1 66.0 41.7 41.4 50.9 60 76 A A - 0 0 10 -2,-0.2 2,-0.8 -26,-0.1 -2,-0.1 -0.992 69.5-119.3-147.6 144.4 39.4 43.1 53.4 61 77 A M + 0 0 169 -2,-0.3 2,-0.4 -28,-0.0 -2,-0.0 -0.789 40.2 175.8 -91.7 109.3 38.6 42.5 57.0 62 78 A I - 0 0 28 -2,-0.8 2,-1.0 4,-0.0 3,-0.1 -0.925 31.6-144.8-119.5 139.4 34.8 41.8 57.3 63 79 A D > - 0 0 67 -2,-0.4 4,-2.4 1,-0.2 3,-0.3 -0.821 17.1-172.2 -98.4 91.8 32.7 40.9 60.3 64 80 A Y H > S+ 0 0 29 -2,-1.0 4,-1.8 1,-0.2 5,-0.3 0.796 84.0 57.6 -56.5 -32.2 30.2 38.5 58.7 65 81 A Q H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.951 110.2 45.5 -62.7 -44.4 28.2 38.3 61.9 66 82 A R H > S+ 0 0 137 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.922 112.9 47.8 -65.0 -46.9 27.8 42.1 61.7 67 83 A V H X S+ 0 0 23 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.775 116.3 44.4 -69.2 -26.3 27.0 42.3 58.0 68 84 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.930 117.0 43.3 -81.2 -48.8 24.4 39.5 58.3 69 85 A R H X S+ 0 0 54 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.858 112.2 53.7 -65.7 -35.7 22.7 40.8 61.5 70 86 A D H X S+ 0 0 85 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.898 108.6 50.3 -65.6 -38.4 22.8 44.4 60.3 71 87 A T H X S+ 0 0 6 -4,-0.9 4,-1.6 -5,-0.2 -1,-0.2 0.864 110.1 49.0 -67.7 -36.3 21.0 43.4 57.1 72 88 A I H X>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 4,-0.9 0.874 112.1 50.0 -70.3 -35.4 18.3 41.5 59.1 73 89 A K H ><5S+ 0 0 113 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.932 107.6 53.0 -66.3 -46.9 17.9 44.6 61.3 74 90 A H H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.3 56.9 -55.9 -40.4 17.6 46.9 58.2 75 91 A I H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.787 125.4-102.4 -64.8 -26.5 14.8 44.6 56.9 76 92 A G T <<5S+ 0 0 12 -3,-1.0 2,-1.1 -4,-0.9 3,-0.3 0.580 76.6 135.6 114.1 14.2 12.9 45.1 60.1 77 93 A Y < + 0 0 0 -5,-2.2 9,-2.3 1,-0.2 -1,-0.1 -0.735 23.3 119.2 -98.5 88.4 13.5 41.9 62.0 78 94 A D + 0 0 55 -2,-1.1 2,-0.3 7,-0.2 -1,-0.2 0.519 59.1 67.2-120.6 -22.2 14.3 43.1 65.6 79 95 A D S >S- 0 0 96 -3,-0.3 5,-0.7 5,-0.3 3,-0.4 -0.746 77.7-124.1-105.5 158.6 11.5 41.5 67.6 80 96 A S T > 5S+ 0 0 93 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.976 102.5 53.5 -61.3 -64.1 10.8 37.8 68.4 81 97 A A T 3 5S+ 0 0 48 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.588 91.4 77.8 -51.8 -16.9 7.3 37.2 67.1 82 98 A K T 3 5S- 0 0 32 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.581 114.1-106.5 -73.1 -9.2 8.1 38.6 63.6 83 99 A G T < 5S+ 0 0 14 -3,-2.1 -35,-0.6 145,-0.2 2,-0.3 0.497 95.6 49.0 95.7 7.2 9.8 35.3 62.7 84 100 A F < - 0 0 5 -5,-0.7 2,-0.4 -4,-0.5 -5,-0.3 -0.879 52.4-173.9-174.8 138.4 13.4 36.7 63.0 85 101 A D >> - 0 0 9 -2,-0.3 4,-2.8 -7,-0.1 3,-1.6 -0.907 18.5-150.2-143.0 111.7 15.5 38.8 65.4 86 102 A F T 34 S+ 0 0 38 -9,-2.3 -8,-0.1 -2,-0.4 -13,-0.1 0.691 98.6 55.1 -54.0 -22.3 18.9 39.9 64.4 87 103 A K T 34 S+ 0 0 123 -9,-0.1 -1,-0.3 1,-0.1 -9,-0.1 0.747 121.1 25.9 -84.2 -23.7 20.1 39.8 68.0 88 104 A T T <4 S+ 0 0 97 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.630 91.2 109.7-115.0 -19.2 19.0 36.2 68.5 89 105 A C S < S- 0 0 5 -4,-2.8 2,-0.6 1,-0.1 -40,-0.2 -0.205 72.4-108.0 -64.0 152.8 19.1 34.4 65.2 90 106 A N E -h 49 0D 97 -42,-2.3 -40,-4.2 -43,-0.1 2,-0.8 -0.722 29.8-168.7 -83.5 117.3 21.7 31.7 64.4 91 107 A V E -h 50 0D 9 -2,-0.6 2,-0.8 -42,-0.2 -40,-0.2 -0.847 4.5-172.8-111.1 92.7 24.2 33.0 61.8 92 108 A L E -h 51 0D 87 -42,-2.7 -40,-2.4 -2,-0.8 2,-0.7 -0.792 6.8-160.8 -88.6 111.0 26.2 30.0 60.7 93 109 A V E +h 52 0D 57 -2,-0.8 -40,-0.2 -42,-0.2 -42,-0.1 -0.839 24.9 163.3 -99.3 110.5 29.1 31.2 58.5 94 110 A A E +h 53 0D 37 -42,-2.9 -40,-0.5 -2,-0.7 2,-0.2 -0.082 32.5 142.2-111.8 30.0 30.6 28.5 56.3 95 111 A L E -h 54 0D 24 -42,-0.2 2,-0.5 -43,-0.1 -40,-0.2 -0.471 42.7-147.5 -77.0 138.7 32.3 31.1 54.1 96 112 A E E -h 55 0D 115 -42,-2.6 -40,-2.5 -2,-0.2 2,-0.5 -0.948 17.4-173.0-109.7 117.4 35.8 30.4 52.6 97 113 A Q E -h 56 0D 73 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.926 5.5-177.6-121.3 117.7 37.9 33.6 52.2 98 114 A Q - 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