==== 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 11-DEC-04 1Y8C . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR K.R.RAJASHANKAR,R.KNIEWEL,K.LEE,C.D.LIMA,S.K.BURLEY,NEW YORK . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.2 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 . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.3 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 1 1 0 0 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 2 A N 0 0 133 0, 0.0 4,-0.1 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 27.7 58.0 2.2 71.6 2 3 A C > + 0 0 72 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.892 360.0 20.7 -90.9 -78.2 57.1 3.4 75.1 3 4 A Y H > S+ 0 0 22 1,-0.3 4,-1.9 2,-0.2 45,-0.1 0.792 127.7 57.7 -60.7 -26.1 54.4 6.1 74.8 4 5 A N H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.908 104.5 49.1 -69.9 -41.4 53.9 4.4 71.4 5 6 A K H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.942 111.0 49.7 -62.0 -48.1 53.2 1.1 73.2 6 7 A F H X S+ 0 0 13 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.882 105.2 58.2 -58.4 -40.2 50.7 2.8 75.5 7 8 A A H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.877 107.1 47.6 -58.4 -39.0 49.0 4.4 72.4 8 9 A H H X S+ 0 0 66 -4,-1.5 4,-2.3 -3,-0.4 5,-0.2 0.941 110.8 51.0 -67.4 -46.7 48.4 0.9 71.0 9 10 A I H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.937 111.5 48.6 -54.4 -48.5 47.1 -0.3 74.4 10 11 A Y H X>S+ 0 0 15 -4,-3.0 4,-2.4 1,-0.2 5,-1.4 0.938 112.6 46.1 -57.1 -53.7 44.7 2.7 74.5 11 12 A D H <>S+ 0 0 11 -4,-2.4 5,-1.5 1,-0.2 7,-0.4 0.800 116.2 46.7 -61.8 -31.2 43.4 2.2 71.0 12 13 A K H <5S+ 0 0 158 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.825 125.9 26.1 -81.7 -33.2 42.9 -1.5 71.5 13 14 A L H <5S+ 0 0 28 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.881 130.8 31.1 -98.3 -47.0 41.2 -1.3 74.9 14 15 A I T <5S+ 0 0 15 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.965 131.1 31.4 -78.5 -53.4 39.5 2.1 75.1 15 16 A R T - 0 0 85 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 -0.924 16.5-161.5-137.3 107.1 42.1 -1.1 62.7 20 21 A Y H > S+ 0 0 44 -2,-0.4 4,-3.4 2,-0.2 5,-0.3 0.968 90.5 41.8 -53.0 -66.7 44.9 0.9 61.1 21 22 A K H > S+ 0 0 145 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.904 115.0 53.0 -50.1 -46.8 45.3 -1.1 57.8 22 23 A K H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.957 114.5 40.7 -55.0 -53.1 41.6 -1.3 57.4 23 24 A W H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.948 116.0 49.1 -61.9 -50.3 41.1 2.4 57.8 24 25 A S H X S+ 0 0 2 -4,-3.4 4,-2.9 -5,-0.3 5,-0.2 0.940 113.3 47.4 -57.0 -45.6 44.2 3.3 55.7 25 26 A D H X S+ 0 0 101 -4,-3.4 4,-3.0 -5,-0.3 -1,-0.2 0.929 110.9 51.4 -61.1 -44.9 43.0 1.0 52.9 26 27 A F H X S+ 0 0 10 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.915 112.1 47.9 -57.2 -42.2 39.5 2.4 53.1 27 28 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.926 111.5 47.7 -66.0 -45.6 41.0 5.8 52.8 28 29 A I H X S+ 0 0 33 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.939 110.6 54.2 -59.0 -45.5 43.2 5.0 49.9 29 30 A E H X S+ 0 0 85 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.913 109.6 46.0 -53.9 -48.1 40.3 3.3 48.2 30 31 A K H < S+ 0 0 6 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.842 109.3 56.2 -66.4 -31.8 38.2 6.4 48.5 31 32 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.9 0.915 108.3 47.7 -65.0 -43.2 41.1 8.5 47.2 32 33 A V H ><5S+ 0 0 86 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.892 105.4 57.5 -65.1 -41.2 41.3 6.4 44.1 33 34 A E T 3<5S+ 0 0 107 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.640 107.0 52.4 -65.5 -10.5 37.5 6.6 43.6 34 35 A N T < 5S- 0 0 45 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.057 112.1-117.3-113.1 24.8 38.1 10.4 43.5 35 36 A N T < 5 - 0 0 151 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.790 51.5-177.7 44.5 35.1 40.8 10.4 40.9 36 37 A L < - 0 0 16 -5,-2.2 2,-0.7 -6,-0.1 -1,-0.2 -0.300 26.7-134.4 -66.2 143.4 43.1 11.9 43.6 37 38 A V > - 0 0 82 -3,-0.1 2,-2.5 3,-0.1 3,-0.5 -0.891 16.2-138.3 -99.2 116.3 46.7 12.8 42.7 38 39 A F T 3 + 0 0 52 -2,-0.7 22,-0.8 1,-0.2 3,-0.1 -0.230 67.8 111.4 -74.1 56.2 48.9 11.4 45.4 39 40 A D T 3 S+ 0 0 51 -2,-2.5 22,-2.7 1,-0.2 21,-0.9 0.938 73.6 26.4 -90.7 -57.9 51.2 14.4 45.7 40 41 A D E < -a 61 0A 8 -3,-0.5 63,-2.8 20,-0.2 64,-1.7 -0.939 59.7-177.9-123.2 127.2 50.5 16.0 49.1 41 42 A Y E -ab 62 104A 0 20,-2.8 22,-2.7 -2,-0.5 2,-0.5 -0.964 3.1-174.4-123.7 128.8 49.2 14.4 52.3 42 43 A L E -ab 63 105A 0 62,-2.6 64,-2.5 -2,-0.4 2,-0.6 -0.975 4.7-167.2-123.3 124.2 48.4 16.1 55.7 43 44 A D E > -ab 64 106A 4 20,-2.8 22,-2.4 -2,-0.5 3,-0.6 -0.938 10.3-156.8-113.8 113.1 47.4 14.1 58.8 44 45 A L E 3 S+a 65 0A 0 62,-3.0 64,-0.4 -2,-0.6 22,-0.2 -0.726 79.7 14.5 -87.8 136.4 46.0 16.3 61.6 45 46 A A T 3 S+ 0 0 15 20,-2.2 -1,-0.3 -2,-0.4 21,-0.2 0.952 76.2 171.5 65.3 47.8 46.2 14.9 65.1 46 47 A C X - 0 0 9 19,-1.9 3,-2.6 -3,-0.6 4,-0.4 0.617 13.6-172.4 -66.3 -13.2 48.6 12.3 63.9 47 48 A G T 3 S- 0 0 14 1,-0.3 28,-0.3 18,-0.2 -1,-0.2 -0.312 70.1 -16.7 55.9-130.3 49.3 11.1 67.4 48 49 A T T 3 S- 0 0 5 -3,-0.1 -1,-0.3 26,-0.1 30,-0.1 0.163 102.4-101.5 -91.4 18.2 52.2 8.6 67.4 49 50 A G S <> S+ 0 0 0 -3,-2.6 4,-2.0 1,-0.1 -2,-0.2 0.735 74.0 143.1 73.9 27.1 51.7 8.1 63.6 50 51 A N T 4 S+ 0 0 7 -4,-0.4 -3,-0.1 1,-0.2 -1,-0.1 0.727 85.0 30.6 -70.8 -19.9 49.9 4.8 63.6 51 52 A L T >> S+ 0 0 9 -5,-0.4 4,-1.4 2,-0.1 3,-0.8 0.719 115.2 60.4-105.6 -31.3 47.8 6.0 60.7 52 53 A T H 3> S+ 0 0 0 -6,-0.3 4,-3.4 1,-0.2 -2,-0.2 0.891 96.9 59.3 -64.1 -42.2 50.4 8.2 59.1 53 54 A E H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.707 107.2 49.2 -62.4 -19.2 52.9 5.4 58.6 54 55 A N H <4 S+ 0 0 31 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.861 122.1 29.1 -87.0 -38.2 50.3 3.6 56.4 55 56 A L H >< S+ 0 0 0 -4,-1.4 3,-1.7 1,-0.1 4,-0.4 0.762 104.5 74.7 -92.8 -31.2 49.3 6.5 54.2 56 57 A C G >< S+ 0 0 10 -4,-3.4 3,-1.6 1,-0.3 -3,-0.1 0.875 91.7 56.0 -50.8 -45.5 52.6 8.5 54.1 57 58 A P G 3 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.653 99.3 62.4 -65.7 -13.3 54.3 6.0 51.8 58 59 A K G < S+ 0 0 118 -3,-1.7 2,-0.2 -4,-0.1 -2,-0.2 0.584 102.6 58.7 -87.9 -8.5 51.6 6.4 49.2 59 60 A F S < S- 0 0 20 -3,-1.6 -20,-0.2 -4,-0.4 3,-0.1 -0.661 73.8-132.7-116.2 172.2 52.4 10.2 48.7 60 61 A K S S+ 0 0 149 -21,-0.9 2,-0.4 -22,-0.8 -20,-0.2 0.893 94.2 25.2 -87.5 -47.1 55.3 12.3 47.7 61 62 A N E S-a 40 0A 65 -22,-2.7 -20,-2.8 -23,-0.1 2,-0.4 -0.978 70.4-172.6-124.6 132.3 55.1 14.9 50.5 62 63 A T E -a 41 0A 7 -2,-0.4 25,-3.1 23,-0.3 2,-0.4 -0.956 8.7-168.0-127.9 142.4 53.6 14.4 53.9 63 64 A W E -ac 42 87A 51 -22,-2.7 -20,-2.8 -2,-0.4 2,-0.5 -0.994 5.4-166.9-127.3 133.0 52.9 16.7 56.9 64 65 A A E -ac 43 88A 0 23,-2.7 25,-1.7 -2,-0.4 2,-0.4 -0.985 7.3-174.5-123.4 125.0 51.9 15.4 60.3 65 66 A V E +ac 44 89A 2 -22,-2.4 -20,-2.2 -2,-0.5 -19,-1.9 -0.958 12.1 154.1-124.4 138.3 50.5 17.8 62.9 66 67 A D - 0 0 23 23,-1.4 25,-0.4 -2,-0.4 26,-0.1 -0.976 41.3-135.0-158.4 148.5 49.7 17.1 66.6 67 68 A L S S+ 0 0 114 -2,-0.3 2,-0.9 23,-0.2 3,-0.1 0.797 84.6 86.6 -76.8 -29.3 49.4 19.2 69.8 68 69 A S > - 0 0 42 1,-0.2 4,-2.5 23,-0.1 3,-0.2 -0.621 56.5-168.5 -79.7 104.6 51.3 16.7 71.9 69 70 A Q H > S+ 0 0 138 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.897 90.4 58.2 -54.4 -40.3 55.0 17.3 71.7 70 71 A E H > S+ 0 0 146 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.924 109.1 42.6 -56.8 -46.7 55.5 14.0 73.4 71 72 A X H > S+ 0 0 45 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 108.2 58.0 -69.2 -40.3 53.6 12.1 70.7 72 73 A L H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.924 105.0 52.5 -55.9 -44.4 55.2 14.0 67.8 73 74 A S H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 109.2 49.4 -57.8 -45.1 58.6 12.8 69.0 74 75 A E H X S+ 0 0 30 -4,-1.4 4,-2.4 1,-0.2 3,-0.3 0.971 111.5 47.7 -58.7 -54.9 57.3 9.2 69.1 75 76 A A H X S+ 0 0 0 -4,-2.8 4,-3.7 -28,-0.3 5,-0.2 0.897 109.3 55.8 -53.5 -42.2 56.0 9.4 65.6 76 77 A E H X S+ 0 0 66 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.910 107.6 47.4 -58.5 -44.1 59.2 11.0 64.5 77 78 A N H X S+ 0 0 74 -4,-2.2 4,-2.3 -3,-0.3 -1,-0.2 0.911 114.7 47.8 -63.9 -39.9 61.2 8.0 65.8 78 79 A K H X S+ 0 0 22 -4,-2.4 4,-0.9 2,-0.2 6,-0.2 0.973 111.4 48.5 -63.5 -55.8 58.8 5.7 64.1 79 80 A F H ><>S+ 0 0 4 -4,-3.7 5,-2.8 1,-0.2 3,-1.0 0.915 112.4 51.0 -51.3 -45.3 58.9 7.5 60.8 80 81 A R H ><5S+ 0 0 160 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.913 104.6 53.9 -60.5 -46.0 62.7 7.5 60.9 81 82 A S H 3<5S+ 0 0 100 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.632 111.0 50.1 -65.8 -10.8 63.1 3.8 61.6 82 83 A Q T <<5S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.168 116.9-111.7-110.6 14.9 60.9 3.3 58.5 83 84 A G T < 5S+ 0 0 66 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.686 72.3 142.9 63.5 17.1 63.0 5.6 56.2 84 85 A L < - 0 0 28 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.700 33.7-170.8 -91.2 140.9 60.0 8.0 56.2 85 86 A K + 0 0 196 -2,-0.3 -23,-0.3 -3,-0.1 2,-0.2 -0.466 17.3 161.7-130.6 62.2 60.6 11.7 56.2 86 87 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.585 45.0-108.2 -82.0 147.7 57.3 13.6 56.7 87 88 A R E -c 63 0A 160 -25,-3.1 -23,-2.7 -2,-0.2 2,-0.3 -0.580 37.9-152.9 -74.2 130.7 57.4 17.2 57.8 88 89 A L E +c 64 0A 46 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.724 17.6 174.9-107.1 154.8 56.2 17.6 61.5 89 90 A A E -c 65 0A 18 -25,-1.7 -23,-1.4 -2,-0.3 2,-0.8 -0.902 25.7-139.9-160.0 129.0 54.6 20.5 63.3 90 91 A C + 0 0 46 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.812 49.5 134.1 -91.7 109.7 53.2 21.0 66.8 91 92 A Q - 0 0 44 -2,-0.8 2,-0.6 -25,-0.4 5,-0.1 -0.985 59.2-101.9-153.1 159.7 50.0 23.1 66.5 92 93 A D > - 0 0 61 -2,-0.3 3,-2.3 3,-0.3 -2,-0.0 -0.767 29.0-136.2 -87.3 123.1 46.4 23.3 67.6 93 94 A I G > S+ 0 0 26 -2,-0.6 3,-1.2 1,-0.3 -1,-0.1 0.780 104.0 62.4 -46.8 -34.4 44.0 22.0 64.9 94 95 A S G 3 S+ 0 0 7 1,-0.3 -1,-0.3 33,-0.1 33,-0.1 0.814 114.4 33.8 -64.3 -30.2 41.7 25.0 65.6 95 96 A N G < S+ 0 0 98 -3,-2.3 -1,-0.3 32,-0.0 -3,-0.3 -0.358 81.9 175.2-121.6 51.0 44.6 27.3 64.5 96 97 A L < + 0 0 15 -3,-1.2 2,-0.3 -5,-0.1 -3,-0.1 -0.408 2.9 179.7 -59.3 122.9 46.3 25.2 61.8 97 98 A N + 0 0 110 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.674 22.7 135.3-131.9 78.7 49.0 27.4 60.3 98 99 A I - 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