==== 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 18-DEC-02 1O9T . 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) . 26842.0 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 . 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 . 54 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 23.1 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 64 0, 0.0 162,-0.1 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0 47.9 -5.1 43.5 19.9 2 18 A A + 0 0 78 162,-0.1 2,-0.2 161,-0.1 161,-0.2 0.436 360.0 142.1 -22.0 146.2 -6.2 42.8 23.5 3 19 A F E -A 162 0A 22 159,-0.9 159,-3.1 674,-0.1 2,-0.3 -0.864 36.9-125.4-176.7 162.7 -4.6 40.4 25.9 4 20 A M E -A 161 0A 10 -2,-0.2 2,-0.3 157,-0.2 157,-0.2 -0.876 18.6-165.3-124.6 159.5 -3.9 40.5 29.7 5 21 A F E -A 160 0A 8 155,-2.1 155,-2.0 -2,-0.3 2,-0.3 -0.991 4.3-158.7-144.8 151.2 -0.7 40.1 31.7 6 22 A T E +A 159 0A 11 -2,-0.3 2,-0.3 153,-0.3 153,-0.2 -0.966 10.7 176.0-132.0 145.3 0.3 39.5 35.3 7 23 A S E -A 158 0A 6 151,-1.8 151,-2.5 -2,-0.3 2,-0.3 -0.960 10.1-154.3-143.3 159.2 3.5 40.1 37.3 8 24 A E E -A 157 0A 40 -2,-0.3 2,-0.3 149,-0.2 149,-0.3 -0.865 9.3-176.2-135.3 171.3 4.6 39.8 40.9 9 25 A S E -A 156 0A 1 147,-2.3 147,-3.6 -2,-0.3 2,-0.3 -0.973 13.9-140.9-160.8 157.6 7.0 41.0 43.4 10 26 A V E -A 155 0A 2 -2,-0.3 341,-0.5 145,-0.3 145,-0.3 -0.921 20.3-112.4-129.3 152.7 8.0 40.3 47.0 11 27 A G > - 0 0 0 143,-2.7 3,-1.7 -2,-0.3 6,-0.2 -0.156 38.8 -95.9 -75.8 174.2 9.0 42.4 50.0 12 28 A E T 3 S+ 0 0 12 1,-0.3 141,-0.2 140,-0.2 9,-0.1 0.635 122.4 60.5 -63.8 -16.4 12.3 42.7 51.7 13 29 A G T 3 S+ 0 0 0 139,-1.6 140,-0.4 138,-0.1 -1,-0.3 0.562 72.1 117.0 -89.1 -11.2 11.1 40.1 54.2 14 30 A H S <> S- 0 0 23 -3,-1.7 4,-2.0 138,-0.3 3,-0.4 -0.412 73.8-124.3 -61.2 129.2 10.5 37.4 51.7 15 31 A P H > S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.859 110.7 46.2 -39.8 -51.1 12.8 34.5 52.6 16 32 A D H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 221,-0.2 0.900 112.8 49.5 -63.7 -42.5 14.3 34.4 49.1 17 33 A K H > S+ 0 0 2 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.729 104.6 58.6 -70.2 -23.3 14.8 38.2 49.1 18 34 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 -3,-0.3 -1,-0.2 0.891 108.8 45.5 -70.2 -40.3 16.5 38.2 52.5 19 35 A C H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.850 110.3 53.7 -69.1 -37.4 19.1 35.9 51.1 20 36 A D H X S+ 0 0 0 -4,-1.8 4,-1.6 215,-0.3 -2,-0.2 0.905 114.2 42.8 -64.0 -40.9 19.5 38.0 47.9 21 37 A Q H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 113.2 49.6 -70.7 -47.9 20.1 41.0 50.1 22 38 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.920 111.7 50.5 -58.2 -43.7 22.4 39.4 52.6 23 39 A S H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.884 114.4 42.9 -62.2 -41.9 24.5 37.9 49.7 24 40 A D H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 322,-0.3 0.751 108.1 60.5 -75.5 -24.8 24.7 41.4 48.1 25 41 A A H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.879 105.2 48.2 -67.7 -38.2 25.4 42.9 51.5 26 42 A V H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.799 110.3 52.8 -70.3 -29.9 28.5 40.8 51.8 27 43 A L H >X S+ 0 0 0 -4,-0.9 4,-2.2 2,-0.2 3,-0.6 0.906 110.8 46.1 -70.4 -43.8 29.4 41.8 48.2 28 44 A D H 3X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.939 106.7 58.5 -62.7 -48.4 29.1 45.5 49.2 29 45 A A H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.707 111.5 42.7 -55.5 -22.9 31.1 45.0 52.4 30 46 A H H XX S+ 0 0 0 -4,-0.6 4,-1.8 -3,-0.6 3,-1.2 0.861 108.1 55.8 -91.3 -42.8 34.0 43.7 50.3 31 47 A L H 3< S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.814 99.4 63.3 -59.2 -32.5 33.9 46.3 47.5 32 48 A K T 3< S+ 0 0 148 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.1 0.775 117.9 25.8 -64.8 -27.2 34.2 49.1 50.0 33 49 A Q T <4 S+ 0 0 109 -3,-1.2 -2,-0.2 -4,-0.2 -1,-0.2 0.513 139.7 20.9-112.5 -11.1 37.6 47.9 51.1 34 50 A D >< - 0 0 31 -4,-1.8 3,-2.6 26,-0.1 -1,-0.2 -0.596 58.9-169.5-161.8 88.8 38.7 46.1 47.9 35 51 A P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.529 92.6 55.0 -59.1 -6.9 36.9 47.1 44.6 36 52 A N T 3 S+ 0 0 80 -6,-0.2 -5,-0.1 2,-0.1 2,-0.0 0.227 77.2 138.2-111.3 11.5 38.6 44.1 43.0 37 53 A A < - 0 0 0 -3,-2.6 2,-0.8 -7,-0.1 21,-0.2 -0.330 52.8-133.7 -60.5 132.6 37.3 41.6 45.5 38 54 A K B -D 57 0B 89 19,-3.4 19,-1.4 222,-0.1 2,-0.5 -0.836 29.6-173.4 -92.9 108.5 36.1 38.4 43.9 39 55 A V + 0 0 0 -2,-0.8 221,-1.7 17,-0.2 2,-0.2 -0.914 23.6 154.0-112.4 130.9 32.7 37.6 45.4 40 56 A A B +E 259 0C 36 -2,-0.5 15,-2.7 15,-0.4 2,-0.3 -0.715 30.5 134.3-151.2 84.5 30.7 34.4 44.8 41 57 A C E -F 54 0D 9 217,-2.0 2,-0.3 13,-0.3 13,-0.3 -0.922 29.0-168.9-137.0 162.3 28.5 33.7 47.7 42 58 A E E -F 53 0D 23 11,-1.9 11,-2.6 -2,-0.3 2,-0.3 -0.967 12.4-138.0-147.1 160.2 24.9 32.7 48.5 43 59 A T E -F 52 0D 0 -2,-0.3 193,-1.0 9,-0.2 2,-0.4 -0.909 8.4-168.0-126.6 151.7 22.6 32.6 51.6 44 60 A V E -FG 51 235D 7 7,-2.0 7,-3.6 -2,-0.3 2,-0.3 -0.995 13.5-175.7-135.7 135.2 20.1 30.1 52.9 45 61 A C E +FG 50 234D 0 189,-2.1 189,-3.6 -2,-0.4 5,-0.2 -0.975 14.7 169.4-136.7 153.5 17.7 30.9 55.8 46 62 A K - 0 0 37 3,-2.3 184,-0.2 -2,-0.3 185,-0.1 -0.660 68.2 -39.4-165.8 99.8 15.0 29.1 57.8 47 63 A T S S- 0 0 74 182,-0.9 37,-0.1 1,-0.2 43,-0.1 0.931 128.1 -20.0 43.5 86.7 13.4 30.5 61.0 48 64 A G S S+ 0 0 18 35,-0.7 42,-2.2 181,-0.3 2,-0.3 0.894 117.6 105.4 57.3 39.6 16.2 32.3 62.9 49 65 A M E - h 0 90D 58 40,-0.2 -3,-2.3 42,-0.0 2,-0.5 -0.844 44.6-178.8-154.0 111.9 18.9 30.4 61.1 50 66 A V E -Fh 45 91D 0 40,-4.2 42,-2.8 -2,-0.3 2,-0.5 -0.964 8.2-162.9-118.6 128.1 21.0 31.9 58.4 51 67 A L E -Fh 44 92D 22 -7,-3.6 -7,-2.0 -2,-0.5 2,-0.6 -0.950 3.0-161.3-114.6 119.2 23.7 30.0 56.5 52 68 A L E +Fh 43 93D 0 40,-2.5 42,-2.9 -2,-0.5 2,-0.3 -0.892 18.2 172.6-102.1 115.3 26.3 32.0 54.6 53 69 A C E +Fh 42 94D 0 -11,-2.6 -11,-1.9 -2,-0.6 42,-0.2 -0.769 16.9 97.4-116.4 164.0 28.1 29.9 51.9 54 70 A G E -Fh 41 95D 0 40,-0.5 42,-2.5 -2,-0.3 2,-0.5 -0.649 58.2-101.9 141.6 164.3 30.5 30.9 49.3 55 71 A E E + h 0 96D 77 -15,-2.7 2,-0.5 -2,-0.2 -15,-0.4 -0.973 38.1 172.5-124.0 109.9 34.0 31.4 47.8 56 72 A I E - h 0 97D 0 40,-2.4 42,-1.1 -2,-0.5 2,-0.9 -0.959 20.2-161.4-130.0 116.9 35.3 34.9 48.0 57 73 A T B +D 38 0B 37 -19,-1.4 -19,-3.4 -2,-0.5 2,-0.3 -0.850 42.1 132.0 -93.1 103.3 38.9 35.9 47.0 58 74 A S - 0 0 3 -2,-0.9 2,-0.1 40,-0.4 -2,-0.1 -0.916 55.6-136.1-145.8 172.3 39.3 39.3 48.6 59 75 A M + 0 0 128 -2,-0.3 2,-0.3 -29,-0.1 40,-0.1 -0.596 67.2 100.9-133.7 67.3 41.7 41.4 50.7 60 76 A A - 0 0 9 -2,-0.1 2,-0.8 -26,-0.1 -2,-0.1 -0.985 69.9-118.7-149.2 146.8 39.4 43.2 53.2 61 77 A M + 0 0 168 -2,-0.3 2,-0.4 -31,-0.0 -2,-0.0 -0.821 39.6 176.2 -95.0 110.5 38.5 42.5 56.8 62 78 A I - 0 0 28 -2,-0.8 2,-1.0 4,-0.0 3,-0.1 -0.926 31.3-144.5-120.4 139.0 34.8 41.8 57.2 63 79 A D > - 0 0 67 -2,-0.4 4,-2.3 1,-0.2 3,-0.4 -0.818 17.2-172.2 -98.4 92.3 32.7 40.8 60.2 64 80 A Y H > S+ 0 0 28 -2,-1.0 4,-1.8 1,-0.2 5,-0.3 0.798 84.0 58.0 -56.4 -32.0 30.2 38.5 58.5 65 81 A Q H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 110.0 45.5 -63.5 -43.0 28.1 38.3 61.7 66 82 A R H > S+ 0 0 142 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.917 113.0 47.5 -66.8 -45.9 27.8 42.1 61.5 67 83 A V H X S+ 0 0 21 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.777 116.5 44.5 -69.5 -26.5 26.9 42.3 57.8 68 84 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.920 117.2 42.8 -81.8 -47.2 24.3 39.5 58.1 69 85 A R H X S+ 0 0 56 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.867 112.7 53.4 -67.4 -36.0 22.7 40.8 61.3 70 86 A D H X S+ 0 0 84 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.881 108.7 50.6 -65.9 -37.2 22.7 44.4 60.1 71 87 A T H X S+ 0 0 5 -4,-0.8 4,-1.7 -5,-0.2 -1,-0.2 0.863 110.0 48.7 -67.9 -37.6 21.0 43.3 56.9 72 88 A I H X>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 4,-0.9 0.858 111.9 50.5 -70.0 -34.3 18.3 41.5 58.9 73 89 A K H ><5S+ 0 0 113 -4,-2.0 3,-1.0 2,-0.2 -2,-0.2 0.936 107.4 52.7 -66.7 -47.9 17.9 44.5 61.1 74 90 A H H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 104.3 57.2 -54.6 -41.9 17.5 46.8 58.1 75 91 A I H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.798 125.5-102.3 -62.8 -27.7 14.8 44.6 56.7 76 92 A G T <<5S+ 0 0 13 -3,-1.0 2,-1.1 -4,-0.9 3,-0.3 0.585 76.7 135.5 115.0 13.9 12.8 45.1 59.9 77 93 A Y < + 0 0 0 -5,-2.2 9,-2.2 1,-0.2 -1,-0.2 -0.755 23.1 119.3 -98.4 89.9 13.5 41.9 61.9 78 94 A D + 0 0 55 -2,-1.1 2,-0.3 7,-0.2 -1,-0.2 0.542 58.8 66.0-121.3 -24.2 14.2 43.1 65.4 79 95 A D S >S- 0 0 97 -3,-0.3 5,-0.7 5,-0.3 3,-0.3 -0.694 78.0-123.2-102.6 161.8 11.5 41.4 67.5 80 96 A S T >>5S+ 0 0 92 -2,-0.3 3,-2.2 1,-0.2 4,-0.5 0.981 102.6 54.2 -64.3 -63.8 10.8 37.7 68.2 81 97 A A T 345S+ 0 0 47 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.608 90.8 78.1 -51.0 -17.6 7.3 37.2 66.9 82 98 A K T 345S- 0 0 31 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.583 114.1-106.9 -72.2 -8.1 8.1 38.5 63.5 83 99 A G T <45S+ 0 0 15 -3,-2.2 -35,-0.7 145,-0.2 2,-0.3 0.517 95.8 50.1 93.8 8.2 9.8 35.3 62.6 84 100 A F << - 0 0 4 -5,-0.7 2,-0.4 -4,-0.5 -5,-0.3 -0.870 52.6-174.0-175.0 137.3 13.3 36.7 62.8 85 101 A D >> - 0 0 9 -2,-0.3 4,-2.9 -7,-0.1 3,-1.6 -0.913 18.3-150.5-141.4 110.9 15.4 38.7 65.3 86 102 A F T 34 S+ 0 0 37 -9,-2.2 -8,-0.1 -2,-0.4 -13,-0.1 0.700 98.6 54.9 -54.1 -21.8 18.9 39.9 64.2 87 103 A K T 34 S+ 0 0 125 -9,-0.2 -1,-0.3 1,-0.1 -9,-0.1 0.747 121.3 25.7 -84.6 -23.9 20.0 39.7 67.8 88 104 A T T <4 S+ 0 0 98 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.634 91.3 109.3-114.6 -20.0 19.0 36.1 68.4 89 105 A C S < S- 0 0 5 -4,-2.9 2,-0.6 1,-0.1 -40,-0.2 -0.219 72.6-107.8 -63.7 151.6 19.0 34.3 65.0 90 106 A N E -h 49 0D 96 -42,-2.2 -40,-4.2 -43,-0.1 2,-0.8 -0.704 29.4-168.4 -82.6 117.5 21.7 31.7 64.2 91 107 A V E -h 50 0D 9 -2,-0.6 2,-0.8 -42,-0.2 -40,-0.2 -0.840 4.5-172.6-110.9 92.7 24.2 33.0 61.7 92 108 A L E -h 51 0D 85 -42,-2.8 -40,-2.5 -2,-0.8 2,-0.7 -0.789 7.0-160.7 -88.7 110.5 26.2 30.0 60.5 93 109 A V E +h 52 0D 56 -2,-0.8 -40,-0.2 -42,-0.2 -42,-0.1 -0.835 24.9 163.6 -98.3 110.1 29.1 31.2 58.3 94 110 A A E +h 53 0D 38 -42,-2.9 -40,-0.5 -2,-0.7 2,-0.2 -0.089 32.1 142.7-111.2 30.2 30.6 28.5 56.1 95 111 A L E -h 54 0D 24 -42,-0.2 2,-0.5 -43,-0.1 -40,-0.2 -0.493 42.0-149.0 -77.5 137.5 32.3 31.1 53.9 96 112 A E E -h 55 0D 115 -42,-2.5 -40,-2.4 -2,-0.2 2,-0.5 -0.946 16.9-172.5-109.1 118.0 35.8 30.4 52.5 97 113 A Q E -h 56 0D 75 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.935 5.5-176.4-121.7 118.4 37.9 33.6 52.0 98 114 A Q - 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