==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-11 3TDE . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1487 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 995 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 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 . 82 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 3.1 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 4 4 0 8 8 0 0 4 4 0 0 0 0 0 8 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 0 0 1 1 2 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 . 10 4 4 0 4 0 1 7 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 4 0 0 0 0 2 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 6 A R 0 0 123 0, 0.0 154,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.3 27.9 -12.7 -21.8 2 7 A L E -A 154 0A 26 152,-0.2 2,-0.4 2,-0.0 152,-0.2 -0.949 360.0-168.9-114.7 138.5 27.1 -14.0 -18.3 3 8 A F E -A 153 0A 16 150,-2.3 150,-2.6 -2,-0.4 2,-0.4 -0.991 3.0-169.8-129.8 127.6 24.5 -12.5 -16.0 4 9 A T E +A 152 0A 17 -2,-0.4 2,-0.3 148,-0.2 148,-0.2 -0.939 6.6 175.6-116.1 135.9 24.1 -13.3 -12.4 5 10 A S E -A 151 0A 4 146,-2.1 146,-2.6 -2,-0.4 2,-0.3 -0.941 13.1-150.7-130.8 161.4 21.2 -12.5 -10.0 6 11 A E E -A 150 0A 53 -2,-0.3 2,-0.3 144,-0.2 144,-0.2 -0.896 10.2-173.8-129.6 152.6 20.7 -13.4 -6.4 7 12 A S E -A 149 0A 0 142,-2.4 142,-2.9 -2,-0.3 2,-0.3 -0.957 10.5-154.2-139.1 156.0 17.7 -14.0 -4.0 8 13 A V E -A 148 0A 0 -2,-0.3 337,-0.6 140,-0.2 140,-0.3 -0.940 20.5-112.5-127.7 155.2 17.6 -14.7 -0.3 9 14 A T > - 0 0 2 138,-2.0 3,-1.7 -2,-0.3 6,-0.2 -0.297 39.2 -98.0 -73.7 169.8 15.1 -16.5 1.9 10 15 A E T 3 S+ 0 0 20 1,-0.2 9,-0.1 118,-0.1 136,-0.1 0.636 121.2 67.8 -59.6 -15.8 13.0 -14.7 4.5 11 16 A G T 3 + 0 0 0 134,-0.8 135,-0.3 133,-0.1 -1,-0.2 0.542 69.8 108.6 -82.8 -9.3 15.6 -16.0 7.1 12 17 A H S <> S- 0 0 33 -3,-1.7 4,-2.4 133,-0.2 3,-0.4 -0.522 80.7-121.2 -68.6 135.7 18.4 -13.8 5.8 13 18 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 215,-0.2 0.821 111.6 49.9 -54.9 -34.8 19.1 -11.1 8.4 14 19 A D H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 217,-0.2 0.924 112.7 48.1 -67.3 -40.8 18.4 -8.2 6.0 15 20 A K H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.2 5,-0.2 0.819 103.5 60.3 -69.9 -30.6 15.1 -9.8 4.9 16 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.930 108.3 47.0 -55.3 -43.6 14.1 -10.4 8.6 17 22 A C H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 213,-0.2 0.921 110.4 49.5 -67.3 -47.1 14.3 -6.6 8.9 18 23 A D H X S+ 0 0 0 -4,-2.1 4,-2.3 211,-0.3 -1,-0.2 0.925 113.7 48.2 -56.1 -45.6 12.3 -5.9 5.7 19 24 A A H X S+ 0 0 7 -4,-2.6 4,-2.1 324,-0.3 -2,-0.2 0.892 111.5 48.2 -65.1 -40.9 9.6 -8.4 6.9 20 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.943 111.9 50.4 -64.6 -44.6 9.5 -6.9 10.4 21 26 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.910 115.2 42.3 -58.5 -43.4 9.2 -3.4 9.0 22 27 A D H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 318,-0.5 0.757 109.1 58.2 -79.6 -25.0 6.3 -4.4 6.6 23 28 A S H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.871 108.8 46.3 -66.4 -40.1 4.6 -6.5 9.3 24 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.921 112.3 51.1 -63.8 -47.0 4.4 -3.3 11.5 25 30 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.945 111.5 47.6 -52.7 -51.4 3.1 -1.4 8.4 26 31 A D H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 109.0 53.4 -59.1 -44.9 0.4 -4.1 7.8 27 32 A A H X S+ 0 0 25 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.885 113.5 43.1 -58.9 -39.7 -0.7 -4.1 11.4 28 33 A L H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.6 0.930 114.3 49.4 -74.0 -45.3 -1.2 -0.3 11.4 29 34 A L H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 102.8 62.6 -60.9 -36.1 -2.9 -0.3 8.0 30 35 A A H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.863 118.4 26.8 -58.6 -36.0 -5.3 -3.1 9.0 31 36 A A H << S+ 0 0 66 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.685 138.1 24.9-100.2 -25.6 -6.7 -0.8 11.7 32 37 A D >< - 0 0 11 -4,-2.6 3,-2.3 -5,-0.1 -1,-0.2 -0.737 62.1-171.3-142.2 93.3 -6.0 2.6 10.2 33 38 A P T 3 S+ 0 0 63 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.672 87.1 59.0 -59.1 -18.9 -5.7 2.6 6.4 34 39 A R T 3 S+ 0 0 194 -6,-0.1 -5,-0.1 -5,-0.1 220,-0.0 0.298 76.8 139.6 -94.6 11.0 -4.6 6.2 6.5 35 40 A S < - 0 0 2 -3,-2.3 2,-0.5 -7,-0.1 21,-0.2 -0.245 47.2-142.6 -56.7 136.3 -1.5 5.5 8.7 36 41 A R E +E 55 0B 134 19,-2.7 19,-2.6 218,-0.1 2,-0.4 -0.904 30.5 179.7 -97.7 126.6 1.7 7.3 7.9 37 42 A V E +E 54 0B 1 -2,-0.5 217,-1.8 17,-0.2 2,-0.2 -0.998 29.2 162.4-139.0 132.7 4.6 4.9 8.5 38 43 A A E +EF 53 253B 30 15,-1.7 15,-1.9 -2,-0.4 2,-0.5 -0.727 25.6 167.0-146.4 86.3 8.4 5.0 8.2 39 44 A V E -E 52 0B 1 213,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.945 15.1-169.1-118.5 119.9 9.6 2.1 10.3 40 45 A E E -E 51 0B 17 11,-2.5 11,-2.9 -2,-0.5 2,-0.4 -0.839 6.4-156.7-106.0 143.1 13.2 0.8 10.1 41 46 A T E -E 50 0B 0 -2,-0.3 189,-2.0 9,-0.2 2,-0.4 -0.949 6.8-170.1-123.1 140.8 14.4 -2.5 11.7 42 47 A L E -EG 49 229B 0 7,-2.3 7,-2.6 -2,-0.4 2,-0.4 -0.973 6.1-172.4-120.2 140.7 17.9 -3.5 12.8 43 48 A V E +EG 48 228B 0 185,-2.6 185,-2.4 -2,-0.4 2,-0.3 -0.992 14.4 151.2-130.2 144.5 18.9 -7.1 13.9 44 49 A T E > -EG 47 227B 4 3,-1.8 3,-2.6 -2,-0.4 183,-0.2 -0.897 62.3 -29.9-150.8 180.0 22.1 -8.4 15.4 45 50 A T T 3 S- 0 0 10 181,-0.8 1168,-0.4 178,-0.5 179,-0.1 -0.078 127.5 -17.7 -41.2 118.2 22.9 -11.3 17.7 46 51 A G T 3 S+ 0 0 3 38,-0.4 45,-2.9 1166,-0.2 1166,-1.0 0.515 119.3 89.7 64.2 13.8 19.9 -11.9 20.0 47 52 A Q E < -Eh 44 91B 2 -3,-2.6 -3,-1.8 43,-0.2 2,-0.4 -0.995 49.6-162.7-149.7 148.6 18.2 -8.5 19.4 48 53 A V E -Eh 43 92B 0 43,-1.8 45,-2.5 -2,-0.3 2,-0.5 -0.969 8.9-169.1-122.2 136.3 15.8 -6.5 17.3 49 54 A H E -Eh 42 93B 2 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.5 -0.971 4.9-171.3-127.1 116.4 15.6 -2.7 17.3 50 55 A V E +Eh 41 94B 0 43,-2.9 45,-3.6 -2,-0.5 2,-0.3 -0.935 17.8 159.5-111.8 122.8 12.6 -1.2 15.6 51 56 A V E +Eh 40 95B 0 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.3 -0.809 14.0 81.1-133.9 173.0 12.7 2.6 15.1 52 57 A G E -Eh 39 96B 2 43,-1.3 45,-2.8 547,-0.3 2,-0.3 -0.947 66.8 -57.8 135.2-149.6 11.1 5.4 13.1 53 58 A E E -Eh 38 97B 56 -15,-1.9 -15,-1.7 -2,-0.3 2,-0.3 -0.999 37.3-177.4-143.1 138.3 8.0 7.5 13.0 54 59 A V E -E 37 0B 3 43,-2.4 2,-0.5 -2,-0.3 -17,-0.2 -0.980 15.2-163.6-133.4 143.6 4.3 6.8 12.7 55 60 A T E +E 36 0B 103 -19,-2.6 -19,-2.7 -2,-0.3 2,-0.3 -0.989 42.0 137.9-120.7 117.9 1.1 8.9 12.5 56 61 A T - 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