==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-09 3IML . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR B.L.STAKER . 1379 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 924 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 15.4 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 . 8 0.6 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 . 101 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.5 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 0 0 1 0 6 0 0 6 4 0 0 0 0 1 7 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 5 0 0 2 0 1 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 4 2 0 3 0 3 7 2 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 . 1 3 4 0 0 0 0 0 1 1 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 0 A S 0 0 185 0, 0.0 2,-0.4 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 -44.7 -9.3 42.2 34.0 2 1 A M - 0 0 67 1,-0.0 2,-0.1 159,-0.0 661,-0.0 -0.775 360.0-107.7 -95.5 138.4 -11.1 42.5 37.4 3 2 A A + 0 0 81 -2,-0.4 2,-0.3 157,-0.1 -1,-0.0 -0.415 49.3 178.7 -65.1 141.5 -12.3 39.4 39.3 4 3 A N - 0 0 48 -2,-0.1 156,-1.6 158,-0.1 2,-0.3 -0.984 30.8-177.5-147.9 148.3 -16.1 39.1 39.1 5 4 A D E +A 159 0A 64 -2,-0.3 2,-0.3 154,-0.2 154,-0.2 -0.809 34.9 132.9-150.6 112.4 -19.1 37.1 40.1 6 5 A Y E -A 158 0A 68 152,-2.2 152,-3.2 -2,-0.3 2,-0.4 -0.986 47.1-119.8-156.4 162.2 -22.6 38.2 39.0 7 6 A L E -A 157 0A 40 650,-0.4 2,-0.4 -2,-0.3 150,-0.2 -0.890 25.3-175.3-108.0 133.2 -25.9 37.2 37.5 8 7 A F E -A 156 0A 27 148,-2.4 148,-3.5 -2,-0.4 2,-0.4 -0.996 7.6-161.2-131.3 138.8 -27.1 38.8 34.3 9 8 A T E +A 155 0A 0 -2,-0.4 2,-0.3 146,-0.2 146,-0.2 -0.942 14.5 171.4-128.3 139.7 -30.5 38.2 32.7 10 9 A S E -A 154 0A 0 144,-1.8 144,-1.8 -2,-0.4 2,-0.3 -0.864 14.2-154.7-132.7 169.1 -32.2 38.6 29.3 11 10 A E E -A 153 0A 17 -2,-0.3 2,-0.3 142,-0.2 142,-0.3 -0.943 6.8-170.1-138.8 159.5 -35.6 37.5 27.9 12 11 A S E -A 152 0A 0 140,-2.1 140,-2.8 -2,-0.3 2,-0.3 -0.936 10.0-145.9-140.7 172.3 -37.4 36.6 24.7 13 12 A V E -A 151 0A 0 -2,-0.3 330,-0.5 138,-0.2 138,-0.2 -0.961 22.5-111.4-136.0 153.1 -40.9 36.0 23.4 14 13 A S > - 0 0 0 136,-2.9 3,-1.7 -2,-0.3 6,-0.2 -0.228 39.1 -97.3 -75.7 173.1 -42.3 33.7 20.8 15 14 A E T 3 S+ 0 0 8 1,-0.3 134,-0.1 116,-0.2 9,-0.1 0.577 122.2 59.6 -68.0 -9.9 -43.9 34.8 17.6 16 15 A G T 3 S+ 0 0 0 132,-0.8 133,-0.3 134,-0.1 -1,-0.3 0.326 71.4 114.8-103.3 6.2 -47.3 34.4 19.2 17 16 A H S X> S- 0 0 10 -3,-1.7 4,-2.3 131,-0.2 3,-0.6 -0.594 78.4-119.8 -69.1 137.4 -46.7 36.9 22.0 18 17 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 208,-0.2 0.828 111.9 51.0 -54.6 -35.9 -49.2 39.7 21.4 19 18 A D H 3> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 210,-0.2 0.883 112.6 47.3 -68.8 -36.3 -46.5 42.4 21.1 20 19 A K H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.838 107.0 56.3 -73.6 -32.9 -44.7 40.3 18.6 21 20 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.970 109.9 47.4 -57.1 -50.4 -47.9 39.6 16.6 22 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.906 112.0 48.4 -59.8 -47.2 -48.2 43.3 16.3 23 22 A D H X S+ 0 0 0 -4,-2.2 4,-1.9 204,-0.3 -1,-0.2 0.881 113.3 48.5 -57.6 -41.5 -44.6 43.8 15.2 24 23 A Q H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.907 111.2 48.7 -72.0 -39.4 -45.0 41.0 12.6 25 24 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.962 111.0 51.5 -60.7 -49.8 -48.2 42.4 11.2 26 25 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.876 115.4 41.5 -52.0 -43.0 -46.6 45.8 11.0 27 26 A D H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 311,-0.5 0.791 109.5 57.4 -82.9 -27.3 -43.6 44.3 9.1 28 27 A A H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.918 109.4 46.6 -61.7 -43.7 -45.8 42.0 6.9 29 28 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.899 111.9 51.1 -64.3 -41.6 -47.6 45.1 5.7 30 29 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.929 110.8 49.1 -59.3 -45.9 -44.2 46.8 5.2 31 30 A D H X S+ 0 0 22 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 110.3 49.6 -59.7 -46.5 -43.1 43.8 3.1 32 31 A A H X S+ 0 0 24 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.860 112.6 47.7 -63.9 -35.2 -46.2 43.7 1.0 33 32 A I H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.7 0.944 111.5 49.4 -70.6 -46.1 -45.8 47.5 0.2 34 33 A L H 3< S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.827 100.4 65.6 -63.9 -34.4 -42.1 47.2 -0.6 35 34 A A H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.906 115.3 29.7 -49.7 -43.8 -42.8 44.2 -3.0 36 35 A Q H << S+ 0 0 107 -4,-0.9 -2,-0.2 -3,-0.7 2,-0.2 0.692 139.5 17.0 -91.7 -23.8 -44.8 46.6 -5.2 37 36 A D >< - 0 0 25 -4,-1.8 3,-1.2 -5,-0.1 -1,-0.3 -0.728 60.0-173.6-156.5 93.8 -43.0 49.9 -4.5 38 37 A K T 3 S+ 0 0 95 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.503 84.8 60.5 -77.9 -4.7 -39.5 49.6 -2.9 39 38 A Y T 3 S+ 0 0 167 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 -0.066 80.1 132.4-104.8 27.0 -39.2 53.4 -2.5 40 39 A S < - 0 0 2 -3,-1.2 2,-0.5 -10,-0.1 21,-0.2 -0.495 54.8-133.1 -81.0 149.8 -42.3 53.6 -0.2 41 40 A R E +D 60 0B 111 19,-2.6 19,-3.1 -2,-0.2 2,-0.4 -0.921 33.5 173.7-101.7 123.3 -42.4 55.5 3.1 42 41 A V E +D 59 0B 0 -2,-0.5 210,-1.7 17,-0.2 17,-0.2 -0.999 27.2 165.5-137.0 129.3 -44.0 53.4 5.8 43 42 A A E +DE 58 251B 17 15,-2.1 15,-0.9 -2,-0.4 2,-0.6 -0.631 28.0 179.9-134.2 71.8 -44.5 53.9 9.6 44 43 A A E -D 57 0B 0 206,-3.0 2,-0.4 13,-0.2 13,-0.2 -0.706 7.6-168.6 -94.1 115.5 -47.1 51.2 10.1 45 44 A E E -D 56 0B 14 11,-3.2 11,-2.6 -2,-0.6 2,-0.4 -0.814 2.1-165.6-104.1 140.3 -48.4 50.7 13.7 46 45 A T E -D 55 0B 0 -2,-0.4 182,-1.7 9,-0.2 2,-0.4 -0.961 12.0-179.6-130.3 137.3 -50.5 47.8 15.0 47 46 A L E -DF 54 227B 0 7,-2.5 7,-3.8 -2,-0.4 2,-0.4 -0.999 12.4-175.2-130.6 134.3 -52.5 47.2 18.1 48 47 A C E +DF 53 226B 2 178,-2.2 178,-2.8 -2,-0.4 5,-0.2 -0.997 8.0 165.4-140.2 144.1 -54.3 43.9 18.6 49 48 A N - 0 0 13 3,-2.8 3,-0.4 -2,-0.4 173,-0.2 -0.379 57.7 -56.9-132.2-162.3 -56.7 42.6 21.2 50 49 A T S S- 0 0 85 172,-0.2 172,-0.2 171,-0.2 173,-0.1 0.988 131.0 -1.7 -53.4 -70.4 -59.2 39.8 21.7 51 50 A G S S+ 0 0 32 170,-0.1 34,-1.7 1073,-0.1 2,-0.3 -0.205 121.5 85.7-116.6 45.2 -61.3 40.4 18.6 52 51 A L E - g 0 85B 10 -3,-0.4 -3,-2.8 32,-0.2 2,-0.4 -0.983 43.2-177.4-154.1 124.9 -59.6 43.5 17.3 53 52 A V E -Dg 48 86B 3 32,-2.3 34,-3.0 -2,-0.3 2,-0.5 -0.999 13.7-165.0-118.9 131.8 -56.7 44.6 15.1 54 53 A V E -Dg 47 87B 0 -7,-3.8 -7,-2.5 -2,-0.4 2,-0.5 -0.973 2.5-170.4-115.2 127.6 -56.0 48.3 14.7 55 54 A L E +Dg 46 88B 0 32,-3.0 34,-3.3 -2,-0.5 2,-0.3 -0.978 21.4 150.1-117.5 125.7 -53.7 49.4 11.9 56 55 A A E +Dg 45 89B 0 -11,-2.6 -11,-3.2 -2,-0.5 2,-0.3 -0.919 12.9 83.7-148.5 168.6 -52.7 53.0 11.9 57 56 A G E S-Dg 44 90B 0 32,-0.6 34,-3.3 -2,-0.3 2,-0.4 -0.753 70.5 -50.6 125.4-171.4 -49.8 55.2 10.9 58 57 A E E +Dg 43 91B 28 -15,-0.9 -15,-2.1 -2,-0.3 2,-0.4 -0.835 46.6 174.6-112.1 132.6 -48.4 57.1 7.9 59 58 A I E -Dg 42 92B 0 32,-2.4 34,-1.4 -2,-0.4 2,-0.5 -0.976 13.7-175.2-143.4 127.4 -47.8 55.5 4.5 60 59 A T E +Dg 41 93B 42 -19,-3.1 -19,-2.6 -2,-0.4 2,-0.3 -0.982 37.4 123.2-119.6 114.7 -46.7 57.1 1.2 61 60 A T - 0 0 2 32,-1.8 -2,-0.1 -2,-0.5 -27,-0.0 -0.991 61.6-135.4-160.8 161.6 -46.8 54.5 -1.7 62 61 A T S S+ 0 0 86 -2,-0.3 32,-0.1 32,-0.1 -1,-0.1 0.453 74.4 113.9 -95.4 -4.4 -48.1 53.6 -5.2 63 62 A A - 0 0 2 -26,-0.1 2,-0.5 -30,-0.1 -2,-0.1 -0.330 60.0-146.4 -70.1 146.6 -48.8 50.1 -3.9 64 63 A N + 0 0 107 -31,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.974 29.0 178.5-112.1 113.2 -52.3 48.7 -3.7 65 64 A I - 0 0 10 -2,-0.5 2,-1.5 -29,-0.0 3,-0.1 -0.950 37.8-136.1-128.1 134.1 -52.5 46.4 -0.7 66 65 A D > - 0 0 43 -2,-0.4 4,-2.0 1,-0.2 3,-0.3 -0.688 29.3-174.9 -83.1 84.9 -55.3 44.4 0.9 67 66 A Y H > S+ 0 0 9 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.793 77.7 51.4 -53.9 -38.2 -54.2 45.4 4.4 68 67 A I H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 107.9 50.8 -69.8 -41.4 -56.8 43.2 6.1 69 68 A Q H > S+ 0 0 61 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.921 110.2 50.6 -63.8 -42.9 -55.8 40.0 4.1 70 69 A I H X S+ 0 0 27 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 110.9 48.3 -59.4 -44.6 -52.1 40.5 5.0 71 70 A A H X S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.932 114.1 47.1 -61.9 -45.8 -52.9 40.9 8.8 72 71 A R H X S+ 0 0 70 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.904 110.9 50.6 -60.8 -45.7 -55.1 37.8 8.6 73 72 A D H X S+ 0 0 79 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.876 111.1 50.1 -58.7 -41.0 -52.4 35.7 6.8 74 73 A T H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.934 110.9 47.6 -64.8 -49.3 -49.8 36.8 9.4 75 74 A I H X>S+ 0 0 31 -4,-2.3 5,-2.0 1,-0.2 4,-0.9 0.879 113.9 48.7 -58.1 -38.8 -52.0 35.8 12.3 76 75 A K H ><5S+ 0 0 148 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.927 109.0 51.7 -69.7 -45.3 -52.8 32.5 10.6 77 76 A R H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 104.8 57.6 -59.1 -38.6 -49.1 31.8 9.9 78 77 A I H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.780 127.6 -96.3 -65.9 -27.0 -48.2 32.4 13.6 79 78 A G T <<5S+ 0 0 31 -4,-0.9 2,-1.4 -3,-0.8 -3,-0.2 0.364 83.9 126.5 128.7 -3.1 -50.7 29.7 14.6 80 79 A Y < 0 0 57 -5,-2.0 -2,-0.1 67,-0.1 -3,-0.1 -0.593 360.0 360.0 -90.8 78.9 -53.9 31.4 15.5 81 80 A D 0 0 130 -2,-1.4 -5,-0.0 -5,-0.1 0, 0.0 -0.999 360.0 360.0-140.0 360.0 -56.5 29.5 13.3 82 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 83 90 A G 0 0 73 0, 0.0 2,-0.4 0, 0.0 734,-0.1 0.000 360.0 360.0 360.0 148.1 -65.2 37.9 15.2 84 91 A C - 0 0 41 732,-0.4 -32,-0.2 -32,-0.0 732,-0.1 -0.767 360.0-165.0-118.4 79.2 -61.8 39.5 14.6 85 92 A A E -g 52 0B 11 -34,-1.7 -32,-2.3 -2,-0.4 2,-0.4 -0.358 3.5-152.6 -61.9 141.0 -62.7 43.1 13.5 86 93 A V E -gH 53 814B 2 728,-2.8 728,-3.2 -34,-0.2 2,-0.6 -0.983 4.6-160.2-120.2 129.5 -60.0 45.1 11.8 87 94 A L E -gH 54 813B 0 -34,-3.0 -32,-3.0 -2,-0.4 2,-0.7 -0.945 6.4-165.2-107.9 116.0 -59.9 48.9 11.9 88 95 A V E +gH 55 812B 3 724,-3.3 724,-2.5 -2,-0.6 -32,-0.2 -0.899 22.8 156.0-106.1 108.4 -57.7 50.5 9.2 89 96 A A E +g 56 0B 6 -34,-3.3 -32,-0.6 -2,-0.7 722,-0.1 -0.185 16.7 152.6-126.8 38.4 -56.9 54.1 10.0 90 97 A Y E -g 57 0B 12 -34,-0.3 2,-1.0 720,-0.1 -32,-0.2 -0.446 48.6-130.1 -67.5 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