==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-10 3PX3 . COMPND 2 MOLECULE: N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES FRADIAE; . AUTHOR H.M.HOLDEN,A.E.CARNEY . 482 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 19.9 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 24 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 2 0 0 0 4 0 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 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 10 A P 0 0 103 0, 0.0 198,-0.2 0, 0.0 199,-0.1 0.000 360.0 360.0 360.0 139.5 19.8 -15.2 22.6 2 11 A Q B -a 199 0A 50 196,-0.8 198,-2.3 1,-0.1 3,-0.1 -0.224 360.0-178.0 -64.4 150.8 23.5 -14.5 21.9 3 12 A A + 0 0 61 196,-0.2 -1,-0.1 1,-0.1 199,-0.1 0.364 69.1 79.0-118.8 0.6 26.0 -13.4 24.5 4 13 A D S S- 0 0 93 197,-0.0 -1,-0.1 67,-0.0 197,-0.0 0.151 94.9-117.1-109.1 13.7 29.0 -13.1 22.2 5 14 A Y + 0 0 35 1,-0.2 70,-0.4 -3,-0.1 2,-0.3 0.946 66.6 137.1 51.6 61.8 28.6 -9.8 20.3 6 15 A S >> + 0 0 23 68,-0.1 3,-1.5 67,-0.1 4,-0.9 -0.771 41.4 2.2-134.9 169.5 28.4 -11.4 16.9 7 16 A G H 3> S- 0 0 35 1,-0.3 4,-1.8 -2,-0.3 3,-0.4 -0.154 125.8 -7.1 62.8-134.9 26.6 -11.3 13.6 8 17 A E H 3> S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.749 132.4 62.3 -68.3 -30.1 24.0 -8.7 13.2 9 18 A I H <> S+ 0 0 4 -3,-1.5 4,-0.9 2,-0.2 3,-0.3 0.929 106.1 46.5 -61.4 -44.4 24.3 -7.6 16.9 10 19 A A H >< S+ 0 0 1 -4,-0.9 3,-0.6 -3,-0.4 4,-0.5 0.911 110.4 53.2 -63.0 -36.8 27.9 -6.7 16.2 11 20 A E H 3< S+ 0 0 129 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.795 110.3 48.0 -67.7 -24.4 26.8 -4.8 13.1 12 21 A L H 3X S+ 0 0 10 -4,-1.4 4,-2.3 -3,-0.3 5,-0.2 0.642 87.2 91.3 -89.6 -17.1 24.3 -2.8 15.1 13 22 A Y H S+ 0 0 30 -4,-0.5 4,-2.5 1,-0.2 5,-0.3 0.915 114.6 50.0 -60.2 -46.3 28.0 1.5 16.7 15 24 A L H > S+ 0 0 40 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.941 114.0 43.3 -61.1 -45.5 24.7 2.8 15.4 16 25 A V H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 115.6 47.5 -69.4 -39.7 22.8 2.1 18.6 17 26 A H H <>S+ 0 0 17 -4,-2.5 5,-2.5 -5,-0.2 -2,-0.2 0.904 116.6 43.2 -71.7 -33.2 25.5 3.4 21.0 18 27 A Q H ><5S+ 0 0 122 -4,-2.5 3,-2.5 -5,-0.3 -2,-0.2 0.960 111.4 54.8 -75.2 -42.2 25.9 6.5 19.0 19 28 A G H 3<5S+ 0 0 38 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.840 105.0 55.0 -50.3 -39.9 22.1 6.8 18.7 20 29 A K T 3<5S- 0 0 110 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.406 126.8-101.8 -74.0 -3.5 22.0 6.6 22.5 21 30 A G T < 5 + 0 0 57 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.509 63.2 158.9 99.2 5.0 24.4 9.6 22.8 22 31 A K < - 0 0 27 -5,-2.5 2,-0.7 1,-0.1 -1,-0.3 -0.475 25.1-159.0 -64.9 127.6 27.7 7.8 23.6 23 32 A D > + 0 0 67 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.840 18.7 174.7-115.4 97.8 30.5 10.2 22.6 24 33 A Y H > S+ 0 0 9 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.790 79.3 61.4 -79.6 -28.6 33.8 8.4 22.0 25 34 A H H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.976 109.9 39.1 -51.4 -56.5 35.5 11.5 20.9 26 35 A R H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.902 117.0 51.8 -65.0 -41.1 34.9 13.3 24.2 27 36 A E H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.948 109.3 49.4 -63.0 -45.6 35.7 10.0 26.1 28 37 A A H X S+ 0 0 2 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.932 111.6 49.7 -53.1 -50.7 38.9 9.6 24.2 29 38 A A H X S+ 0 0 45 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.927 112.9 45.9 -52.3 -52.9 39.9 13.2 25.0 30 39 A D H X S+ 0 0 87 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.916 114.0 49.1 -56.9 -47.6 39.1 12.7 28.7 31 40 A L H X S+ 0 0 6 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.889 111.4 48.5 -59.7 -47.0 41.0 9.4 28.8 32 41 A A H X S+ 0 0 2 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.923 112.5 48.7 -59.5 -47.9 44.0 10.9 27.1 33 42 A A H X S+ 0 0 42 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.920 113.2 47.7 -58.4 -38.1 44.0 13.9 29.5 34 43 A L H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 110.2 52.2 -73.1 -46.2 43.7 11.5 32.5 35 44 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.929 110.5 47.5 -48.0 -52.5 46.5 9.3 31.1 36 45 A R H < S+ 0 0 99 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.890 103.3 61.9 -64.7 -41.0 48.8 12.3 30.8 37 46 A R H < S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.965 117.4 32.3 -38.6 -57.1 47.9 13.6 34.3 38 47 A H H < S+ 0 0 56 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.856 137.6 20.9 -80.1 -30.7 49.4 10.3 35.5 39 48 A S >< - 0 0 3 -4,-2.8 3,-2.2 -5,-0.2 -1,-0.2 -0.672 68.7-170.1-142.4 77.3 52.1 9.8 32.9 40 49 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.718 84.9 45.9 -45.1 -35.4 53.0 13.1 31.2 41 50 A K T 3 S+ 0 0 132 -5,-0.1 2,-0.1 62,-0.0 -5,-0.1 0.088 79.0 156.5 -99.2 23.0 55.1 11.6 28.4 42 51 A A < + 0 0 11 -3,-2.2 22,-0.1 1,-0.1 3,-0.1 -0.331 9.7 166.3 -63.7 135.3 52.7 8.7 27.5 43 52 A A + 0 0 54 1,-0.2 22,-1.8 20,-0.1 21,-0.4 0.529 52.9 37.2-127.6 -25.0 53.1 7.5 23.9 44 53 A S E -e 65 0B 19 20,-0.2 60,-1.1 19,-0.1 59,-0.5 -0.946 57.3-165.1-138.9 159.4 51.3 4.1 23.4 45 54 A L E -ef 66 104B 0 20,-1.9 22,-2.3 -2,-0.3 2,-0.5 -0.990 11.2-153.4-153.2 134.1 48.0 2.6 24.5 46 55 A L E -ef 67 105B 0 58,-3.0 60,-3.2 -2,-0.3 2,-0.7 -0.951 10.8-158.6-108.1 123.1 46.5 -0.8 24.6 47 56 A D E > -ef 68 106B 0 20,-3.0 22,-2.4 -2,-0.5 3,-0.6 -0.915 11.9-155.7-101.3 107.7 42.6 -0.9 24.6 48 57 A V E 3 S+e 69 0B 0 58,-3.2 60,-0.5 -2,-0.7 22,-0.2 -0.802 78.5 11.9 -89.6 144.1 41.4 -4.2 26.0 49 58 A A T 3 S+ 0 0 0 20,-2.0 21,-0.3 -2,-0.4 -1,-0.3 0.924 82.7 173.1 52.7 52.1 38.0 -5.5 24.9 50 59 A C X - 0 0 1 19,-2.0 3,-2.4 -3,-0.6 4,-0.4 0.537 10.6-172.1 -72.9 -2.2 38.2 -2.7 22.3 51 60 A G T 3 - 0 0 0 18,-0.3 28,-0.3 1,-0.3 -1,-0.2 -0.224 69.5 -1.5 53.7-126.0 35.0 -3.8 20.6 52 61 A T T 3 S- 0 0 0 26,-0.1 -1,-0.3 27,-0.1 30,-0.1 0.326 98.4-113.4 -79.3 5.1 34.4 -1.9 17.4 53 62 A G S <> S+ 0 0 0 -3,-2.4 4,-1.9 3,-0.1 -2,-0.1 0.781 72.2 137.5 71.9 18.2 37.6 0.2 17.9 54 63 A M H > S+ 0 0 25 -4,-0.4 4,-1.2 2,-0.2 5,-0.1 0.904 74.8 42.6 -64.1 -47.2 35.7 3.5 18.4 55 64 A H H > S+ 0 0 2 -5,-0.3 4,-3.0 1,-0.2 3,-0.4 0.944 113.0 55.4 -63.2 -46.6 37.8 4.7 21.3 56 65 A L H > S+ 0 0 0 1,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.884 101.6 56.5 -52.0 -44.6 41.0 3.5 19.5 57 66 A R H < S+ 0 0 105 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.864 116.2 36.0 -59.0 -39.1 40.2 5.6 16.4 58 67 A H H >< S+ 0 0 36 -4,-1.2 3,-1.2 -3,-0.4 -2,-0.2 0.845 112.3 57.7 -82.5 -33.3 40.0 8.8 18.5 59 68 A L H >X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 3,-2.1 0.783 95.0 69.2 -63.5 -27.9 42.8 7.8 20.9 60 69 A A T 3< S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.740 92.4 58.2 -61.0 -25.9 45.0 7.5 17.8 61 70 A D T <4 S+ 0 0 137 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.542 116.4 34.0 -81.7 -6.2 44.8 11.3 17.5 62 71 A S T <4 S+ 0 0 42 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.598 115.2 52.0-116.4 -28.8 46.3 11.6 21.0 63 72 A F S < S- 0 0 4 -4,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.943 72.8-134.3-119.7 138.0 48.8 8.7 21.3 64 73 A G S S+ 0 0 75 -21,-0.4 2,-0.4 -2,-0.4 -20,-0.2 0.895 93.8 22.3 -51.0 -46.9 51.5 7.9 18.9 65 74 A T E -e 44 0B 85 -22,-1.8 -20,-1.9 -3,-0.1 2,-0.3 -0.986 69.1-177.6-131.5 123.2 50.8 4.1 18.8 66 75 A V E +e 45 0B 13 -2,-0.4 21,-0.6 -22,-0.2 2,-0.3 -0.905 4.0 176.8-119.5 153.5 47.5 2.5 19.8 67 76 A E E -eg 46 87B 16 -22,-2.3 -20,-3.0 -2,-0.3 2,-0.3 -0.960 9.7-153.4-146.0 154.3 46.6 -1.3 19.9 68 77 A G E -eg 47 88B 0 19,-1.9 21,-3.6 -2,-0.3 2,-0.4 -0.935 10.9-154.4-130.5 165.6 43.6 -3.3 20.8 69 78 A L E +eg 48 89B 1 -22,-2.4 -19,-2.0 -2,-0.3 -20,-2.0 -0.999 21.2 172.7-132.5 126.6 42.6 -6.7 22.1 70 79 A E E - g 0 90B 0 19,-2.6 21,-1.4 -2,-0.4 22,-0.1 -0.992 27.2-157.2-138.6 133.6 39.1 -8.2 21.4 71 80 A L S S+ 0 0 70 -2,-0.4 2,-0.6 19,-0.2 -1,-0.1 0.846 77.1 76.2 -72.1 -37.1 37.5 -11.6 22.1 72 81 A S > - 0 0 11 1,-0.2 4,-2.9 2,-0.0 5,-0.2 -0.687 64.0-157.1 -89.9 119.9 34.8 -11.4 19.4 73 82 A A H > S+ 0 0 52 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.870 95.0 52.4 -61.6 -35.2 35.9 -11.9 15.8 74 83 A D H > S+ 0 0 71 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 111.8 43.6 -73.9 -39.1 32.9 -10.0 14.5 75 84 A M H > S+ 0 0 0 -70,-0.4 4,-1.9 2,-0.2 3,-0.2 0.928 113.4 54.4 -59.9 -45.6 33.5 -6.9 16.7 76 85 A L H X S+ 0 0 2 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.874 101.8 57.1 -60.6 -31.1 37.2 -7.1 15.9 77 86 A A H X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.891 107.6 47.6 -71.0 -42.6 36.6 -7.1 12.1 78 87 A I H X S+ 0 0 16 -4,-1.2 4,-1.6 -3,-0.2 -1,-0.3 0.889 112.6 49.9 -55.8 -45.1 34.8 -3.9 12.5 79 88 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -28,-0.3 -2,-0.2 0.869 107.2 53.2 -65.8 -42.3 37.6 -2.5 14.6 80 89 A R H < S+ 0 0 125 -4,-3.1 6,-0.2 2,-0.2 -1,-0.2 0.914 109.5 49.2 -60.9 -40.5 40.3 -3.5 12.1 81 90 A R H < S+ 0 0 176 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.1 46.1 -60.4 -40.7 38.4 -1.7 9.3 82 91 A R H < S+ 0 0 58 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 125.0 31.5 -73.4 -30.6 38.2 1.4 11.4 83 92 A N S >< S+ 0 0 12 -4,-1.9 3,-1.9 1,-0.1 -1,-0.3 -0.548 70.5 161.9-126.8 63.5 41.8 1.2 12.5 84 93 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.814 75.0 48.4 -63.7 -28.2 43.6 -0.3 9.4 85 94 A D T 3 S+ 0 0 164 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.328 98.8 82.8 -93.2 7.0 47.1 0.8 10.5 86 95 A A S < S- 0 0 27 -3,-1.9 2,-0.5 -6,-0.2 -19,-0.2 -0.793 81.6-113.9-106.3 162.6 46.9 -0.4 14.0 87 96 A V E -g 67 0B 73 -21,-0.6 -19,-1.9 -2,-0.3 2,-0.5 -0.760 32.8-176.2 -88.8 127.7 47.5 -3.9 15.5 88 97 A L E -g 68 0B 6 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.971 13.3-147.0-129.7 122.1 44.4 -5.4 16.9 89 98 A H E -g 69 0B 50 -21,-3.6 -19,-2.6 -2,-0.5 2,-0.8 -0.645 9.6-137.6 -98.0 140.1 44.7 -8.8 18.6 90 99 A H E +g 70 0B 114 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.795 61.9 101.8 -90.6 107.6 42.1 -11.6 18.7 91 100 A G - 0 0 19 -21,-1.4 2,-0.4 -2,-0.8 -42,-0.1 -0.940 68.0 -83.0-178.4-173.4 42.3 -12.8 22.3 92 101 A D > - 0 0 25 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.923 19.9-141.3-130.7 129.6 41.0 -12.9 25.8 93 102 A M T 3 S+ 0 0 0 -2,-0.4 3,-0.3 1,-0.3 34,-0.2 0.640 99.9 68.8 -71.1 -11.9 41.5 -10.3 28.6 94 103 A R T 3 S+ 0 0 94 1,-0.2 -1,-0.3 33,-0.1 33,-0.1 0.767 121.6 2.0 -78.5 -26.6 41.8 -13.2 31.0 95 104 A D S < S+ 0 0 108 -3,-1.4 -1,-0.2 32,-0.0 2,-0.2 -0.078 81.7 142.0-154.1 50.2 45.1 -14.5 29.6 96 105 A F - 0 0 10 -3,-0.3 2,-0.3 -4,-0.2 -5,-0.0 -0.592 24.7-166.7 -99.4 166.1 46.7 -12.6 26.7 97 106 A S + 0 0 96 -2,-0.2 34,-0.0 1,-0.1 30,-0.0 -0.805 11.6 171.8-149.0 101.6 50.4 -12.1 26.2 98 107 A L - 0 0 30 -2,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.520 44.1-122.6 -90.6 -12.6 51.5 -9.5 23.6 99 108 A G S S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 32,-0.0 0.511 81.0 64.2 85.1 2.0 55.3 -9.3 24.3 100 109 A R - 0 0 153 33,-0.0 2,-0.3 30,-0.0 -2,-0.2 -0.951 69.1-123.8-155.8 166.8 55.3 -5.6 25.0 101 110 A R - 0 0 124 -2,-0.3 2,-0.3 -3,-0.1 31,-0.3 -0.848 15.9-154.7-122.2 162.9 54.1 -2.8 27.2 102 111 A F E - 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