==== 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 1O92 . 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) . 26886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 61.7 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 . 105 14.2 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 . 53 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.9 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 . 3 2 0 0 3 0 0 5 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 . 0 2 3 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 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 44.3 -5.0 43.7 19.9 2 18 A A + 0 0 77 162,-0.1 2,-0.2 159,-0.1 161,-0.2 0.448 360.0 142.9 -19.3 143.8 -6.2 43.0 23.6 3 19 A F E -A 162 0A 23 159,-0.8 159,-3.0 672,-0.1 2,-0.3 -0.869 36.9-125.1-175.7 159.3 -4.5 40.5 25.9 4 20 A M E -A 161 0A 11 -2,-0.2 2,-0.3 157,-0.2 157,-0.2 -0.837 18.7-165.4-120.3 161.2 -3.8 40.6 29.7 5 21 A F E -A 160 0A 9 155,-1.9 155,-2.0 -2,-0.3 2,-0.3 -0.998 4.2-159.9-146.5 149.8 -0.6 40.2 31.7 6 22 A T E +A 159 0A 11 -2,-0.3 2,-0.3 153,-0.3 153,-0.2 -0.953 10.2 176.1-131.2 147.1 0.4 39.6 35.3 7 23 A S E -A 158 0A 6 151,-1.7 151,-2.5 -2,-0.3 2,-0.3 -0.958 10.2-153.6-145.1 159.6 3.6 40.2 37.3 8 24 A E E -A 157 0A 44 -2,-0.3 2,-0.3 149,-0.2 149,-0.2 -0.897 9.5-177.0-137.0 167.7 4.7 39.9 40.9 9 25 A S E -A 156 0A 1 147,-2.2 147,-3.5 -2,-0.3 2,-0.3 -0.971 13.9-141.4-157.3 159.3 7.1 41.2 43.5 10 26 A V E -A 155 0A 3 -2,-0.3 341,-0.5 145,-0.2 145,-0.3 -0.934 20.4-113.1-130.4 151.8 8.1 40.5 47.0 11 27 A G > - 0 0 0 143,-2.4 3,-1.6 -2,-0.3 6,-0.2 -0.133 39.1 -95.4 -75.7 175.9 9.1 42.6 50.0 12 28 A E T 3 S+ 0 0 13 1,-0.3 141,-0.2 140,-0.2 9,-0.1 0.607 122.4 61.5 -65.6 -14.8 12.4 42.8 51.7 13 29 A G T 3 S+ 0 0 0 139,-1.5 140,-0.4 138,-0.1 -1,-0.3 0.528 72.1 115.7 -88.7 -11.6 11.1 40.3 54.2 14 30 A H S <> S- 0 0 20 -3,-1.6 4,-1.9 138,-0.3 3,-0.3 -0.454 74.1-124.4 -62.7 130.3 10.6 37.5 51.7 15 31 A P H > S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.862 110.2 46.2 -41.1 -51.0 12.9 34.6 52.6 16 32 A D H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 221,-0.2 0.899 113.1 49.6 -63.9 -41.7 14.5 34.5 49.1 17 33 A K H > S+ 0 0 2 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.732 104.2 58.5 -70.5 -23.7 14.9 38.3 49.1 18 34 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 -3,-0.3 -1,-0.2 0.889 109.4 45.5 -69.6 -40.3 16.5 38.3 52.5 19 35 A C H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.850 110.2 53.2 -68.6 -38.6 19.2 36.0 51.1 20 36 A D H X S+ 0 0 0 -4,-1.8 4,-1.6 215,-0.3 -2,-0.2 0.904 114.5 43.3 -63.4 -40.8 19.6 38.0 47.9 21 37 A Q H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 113.0 49.1 -70.1 -48.1 20.2 41.1 50.1 22 38 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.901 111.8 51.0 -59.5 -41.0 22.5 39.4 52.6 23 39 A S H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.891 114.0 43.1 -64.3 -41.4 24.5 38.0 49.7 24 40 A D H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 322,-0.4 0.753 108.1 60.1 -75.4 -24.4 24.8 41.4 48.1 25 41 A A H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.861 105.2 48.4 -69.3 -37.5 25.5 43.0 51.5 26 42 A V H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.821 110.3 53.0 -70.7 -30.7 28.6 40.8 51.7 27 43 A L H >X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 3,-0.5 0.919 111.0 45.5 -68.7 -44.5 29.5 41.9 48.2 28 44 A D H 3X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.948 106.8 58.8 -62.2 -49.5 29.2 45.6 49.2 29 45 A A H 3< S+ 0 0 19 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.719 111.6 42.3 -53.7 -25.0 31.2 45.1 52.3 30 46 A H H XX S+ 0 0 0 -4,-0.7 4,-1.7 -3,-0.5 3,-1.1 0.855 108.2 56.2 -91.0 -40.3 34.1 43.8 50.2 31 47 A L H 3< S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.816 99.4 63.2 -60.5 -32.0 34.0 46.3 47.4 32 48 A K T 3< S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.785 117.9 25.6 -64.7 -28.1 34.3 49.1 50.0 33 49 A Q T <4 S+ 0 0 109 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.504 139.5 21.2-112.0 -10.5 37.8 47.9 51.0 34 50 A D >< - 0 0 29 -4,-1.7 3,-2.6 26,-0.1 -1,-0.2 -0.594 59.1-169.4-162.3 88.1 38.8 46.1 47.8 35 51 A P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.489 92.7 54.3 -59.8 -4.4 37.0 47.1 44.6 36 52 A N T 3 S+ 0 0 79 -6,-0.2 -5,-0.1 2,-0.1 305,-0.0 0.264 77.4 138.0-113.0 7.8 38.7 44.1 42.9 37 53 A A < - 0 0 0 -3,-2.6 2,-0.8 -7,-0.2 21,-0.2 -0.261 53.4-132.6 -56.3 135.0 37.4 41.6 45.5 38 54 A K B -D 57 0B 88 19,-3.5 19,-1.5 222,-0.1 2,-0.5 -0.855 29.6-172.5 -95.7 107.2 36.2 38.4 43.8 39 55 A V + 0 0 0 -2,-0.8 221,-1.8 17,-0.2 2,-0.2 -0.899 24.0 153.6-110.7 129.2 32.8 37.6 45.3 40 56 A A B +E 259 0C 35 -2,-0.5 15,-2.7 15,-0.5 2,-0.3 -0.710 30.4 135.1-149.4 83.6 30.8 34.5 44.8 41 57 A C E -F 54 0D 8 217,-2.0 2,-0.3 13,-0.3 13,-0.3 -0.910 28.7-169.6-134.9 162.0 28.5 33.8 47.7 42 58 A E E -F 53 0D 23 11,-1.8 11,-2.7 -2,-0.3 2,-0.3 -0.969 12.3-139.3-146.9 159.3 25.0 32.8 48.5 43 59 A T E -F 52 0D 0 -2,-0.3 193,-1.0 9,-0.2 2,-0.4 -0.899 8.1-167.8-125.8 153.2 22.7 32.6 51.6 44 60 A V E -FG 51 235D 8 7,-1.8 7,-3.7 -2,-0.3 2,-0.3 -0.994 13.6-175.4-137.2 135.0 20.1 30.2 52.9 45 61 A C E +FG 50 234D 0 189,-2.0 189,-2.0 -2,-0.4 5,-0.2 -0.967 14.9 169.2-136.4 154.9 17.7 31.0 55.8 46 62 A K - 0 0 34 3,-2.1 184,-0.2 -2,-0.3 185,-0.1 -0.645 68.4 -38.0-167.2 101.8 15.1 29.2 57.8 47 63 A T S S- 0 0 80 182,-0.9 37,-0.1 1,-0.2 183,-0.1 0.929 128.1 -21.3 42.2 85.6 13.5 30.6 61.0 48 64 A G S S+ 0 0 18 35,-0.6 42,-2.0 181,-0.3 2,-0.3 0.913 117.6 106.0 57.2 40.1 16.3 32.5 62.9 49 65 A M E - h 0 90D 57 40,-0.2 -3,-2.1 2,-0.0 2,-0.5 -0.812 44.7-178.9-154.3 109.1 18.9 30.5 61.1 50 66 A V E -Fh 45 91D 0 40,-4.1 42,-2.6 -2,-0.3 2,-0.6 -0.953 8.6-162.1-116.2 127.9 21.1 32.1 58.4 51 67 A L E -Fh 44 92D 22 -7,-3.7 -7,-1.8 -2,-0.5 2,-0.7 -0.941 2.2-161.6-114.6 117.7 23.7 30.1 56.5 52 68 A L E +Fh 43 93D 0 40,-2.4 42,-2.9 -2,-0.6 2,-0.3 -0.878 18.2 172.7-100.3 116.1 26.4 32.1 54.6 53 69 A C E +Fh 42 94D 0 -11,-2.7 -11,-1.8 -2,-0.7 42,-0.2 -0.761 17.1 99.3-116.1 165.1 28.1 30.0 52.0 54 70 A G E -Fh 41 95D 0 40,-0.5 42,-2.6 -2,-0.3 2,-0.5 -0.643 57.8-104.1 141.7 164.1 30.6 31.0 49.3 55 71 A E E + h 0 96D 76 -15,-2.7 2,-0.5 -2,-0.2 -15,-0.5 -0.976 38.1 172.4-126.0 109.4 34.1 31.4 47.8 56 72 A I E - h 0 97D 0 40,-2.5 42,-1.0 -2,-0.5 2,-0.9 -0.958 20.1-161.3-130.1 116.4 35.4 35.0 47.9 57 73 A T B +D 38 0B 38 -19,-1.5 -19,-3.5 -2,-0.5 2,-0.3 -0.845 42.2 130.5 -93.3 103.6 38.9 36.0 47.0 58 74 A S - 0 0 2 -2,-0.9 2,-0.1 40,-0.4 -2,-0.1 -0.929 55.9-135.3-146.9 172.6 39.4 39.4 48.6 59 75 A M + 0 0 126 -2,-0.3 2,-0.3 -29,-0.2 40,-0.1 -0.589 66.6 101.6-133.4 66.9 41.8 41.4 50.7 60 76 A A - 0 0 9 -2,-0.1 2,-0.8 -26,-0.1 -2,-0.1 -0.988 70.0-117.9-148.8 144.7 39.5 43.2 53.2 61 77 A M + 0 0 169 -2,-0.3 2,-0.4 -28,-0.0 -2,-0.0 -0.789 40.4 176.1 -91.2 109.6 38.6 42.6 56.8 62 78 A I - 0 0 28 -2,-0.8 2,-1.0 4,-0.0 3,-0.1 -0.921 31.2-145.0-119.7 139.2 34.9 41.9 57.1 63 79 A D > - 0 0 67 -2,-0.4 4,-2.4 1,-0.2 3,-0.4 -0.824 17.0-172.1 -99.0 91.1 32.8 40.9 60.1 64 80 A Y H > S+ 0 0 29 -2,-1.0 4,-2.0 1,-0.2 5,-0.3 0.809 83.9 57.6 -55.2 -33.0 30.3 38.6 58.5 65 81 A Q H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.943 110.2 45.5 -62.6 -44.2 28.2 38.4 61.7 66 82 A R H > S+ 0 0 141 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.925 113.2 47.5 -65.5 -46.8 27.9 42.2 61.5 67 83 A V H X S+ 0 0 21 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.782 116.6 44.3 -68.3 -27.2 27.1 42.4 57.8 68 84 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.925 117.0 43.4 -81.4 -48.1 24.4 39.6 58.1 69 85 A R H X S+ 0 0 57 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.859 112.3 53.7 -66.2 -35.0 22.8 40.9 61.3 70 86 A D H X S+ 0 0 84 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.881 108.1 50.9 -66.9 -37.6 22.8 44.5 60.1 71 87 A T H X S+ 0 0 4 -4,-0.9 4,-1.7 -5,-0.2 -1,-0.2 0.852 110.0 48.8 -67.8 -35.5 21.1 43.4 56.9 72 88 A I H X>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.9 0.862 112.1 49.8 -71.3 -35.4 18.4 41.6 58.9 73 89 A K H ><5S+ 0 0 114 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.926 108.2 52.9 -67.1 -46.2 18.0 44.7 61.1 74 90 A H H 3<5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.877 104.7 56.2 -55.7 -42.3 17.6 46.9 58.0 75 91 A I H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.789 125.7-101.3 -63.7 -26.8 14.9 44.7 56.7 76 92 A G T <<5S+ 0 0 11 -4,-0.9 2,-1.0 -3,-0.8 3,-0.3 0.602 77.1 134.8 114.8 14.7 12.9 45.2 59.9 77 93 A Y < + 0 0 0 -5,-2.2 9,-2.3 1,-0.2 -1,-0.1 -0.753 23.2 119.1-100.1 88.7 13.6 42.0 61.9 78 94 A D + 0 0 56 -2,-1.0 2,-0.3 7,-0.2 -1,-0.2 0.528 59.2 67.4-120.1 -23.7 14.3 43.2 65.4 79 95 A D S >S- 0 0 94 -3,-0.3 5,-0.7 5,-0.3 3,-0.4 -0.738 77.4-124.5-103.5 158.4 11.6 41.6 67.4 80 96 A S T > 5S+ 0 0 93 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 0.962 102.8 53.9 -62.0 -60.4 10.9 37.9 68.2 81 97 A A T 3 5S+ 0 0 47 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.604 91.3 77.3 -55.5 -16.2 7.4 37.3 66.9 82 98 A K T 3 5S- 0 0 31 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.563 114.1-107.3 -73.7 -7.6 8.2 38.7 63.5 83 99 A G T < 5S+ 0 0 14 -3,-2.0 -35,-0.6 145,-0.2 2,-0.3 0.514 95.2 50.4 92.6 8.8 9.9 35.4 62.6 84 100 A F < - 0 0 5 -5,-0.7 2,-0.3 -4,-0.4 -5,-0.3 -0.879 52.5-174.0-174.8 138.5 13.5 36.8 62.8 85 101 A D >> - 0 0 9 -2,-0.3 4,-2.9 -7,-0.1 3,-1.9 -0.897 18.5-150.6-143.5 108.8 15.6 38.9 65.2 86 102 A F T 34 S+ 0 0 37 -9,-2.3 -8,-0.1 -2,-0.3 -13,-0.1 0.698 98.9 55.1 -51.6 -22.1 19.0 40.0 64.2 87 103 A K T 34 S+ 0 0 125 -9,-0.1 -1,-0.3 1,-0.1 -9,-0.1 0.736 121.1 25.7 -85.0 -23.2 20.1 39.9 67.8 88 104 A T T <4 S+ 0 0 97 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.1 0.621 91.3 110.4-115.5 -18.7 19.1 36.3 68.4 89 105 A C S < S- 0 0 5 -4,-2.9 2,-0.6 1,-0.1 -40,-0.2 -0.209 72.0-108.1 -64.3 151.1 19.2 34.5 65.0 90 106 A N E -h 49 0D 97 -42,-2.0 -40,-4.1 -43,-0.1 2,-0.8 -0.721 29.8-168.8 -82.3 116.4 21.8 31.8 64.2 91 107 A V E -h 50 0D 9 -2,-0.6 2,-0.8 -42,-0.2 -40,-0.2 -0.850 4.4-173.2-110.3 92.5 24.3 33.1 61.7 92 108 A L E -h 51 0D 86 -42,-2.6 -40,-2.4 -2,-0.8 2,-0.7 -0.805 7.0-161.2 -89.0 110.7 26.3 30.1 60.5 93 109 A V E +h 52 0D 56 -2,-0.8 -40,-0.2 -42,-0.2 -42,-0.1 -0.845 24.7 163.8 -99.3 109.5 29.2 31.3 58.3 94 110 A A E +h 53 0D 38 -42,-2.9 -40,-0.5 -2,-0.7 2,-0.2 -0.113 32.2 143.8-110.6 32.1 30.7 28.6 56.1 95 111 A L E -h 54 0D 23 -42,-0.2 2,-0.6 -43,-0.1 -40,-0.2 -0.504 41.5-148.7 -78.6 138.5 32.4 31.2 53.9 96 112 A E E -h 55 0D 112 -42,-2.6 -40,-2.5 -2,-0.2 2,-0.5 -0.940 17.4-174.2-110.1 115.8 35.9 30.5 52.4 97 113 A Q E -h 56 0D 75 -2,-0.6 -40,-0.2 -42,-0.2 -42,-0.1 -0.928 5.5-177.0-120.7 117.9 38.0 33.7 52.0 98 114 A Q - 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