==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-OCT-12 4HRA . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-79 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.JIN . 320 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 6.6 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 1 3 0 0 2 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 1 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 . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 4 A K 0 0 219 0, 0.0 18,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 21.2 -57.1 -43.7 -18.2 2 5 A L + 0 0 100 1,-0.2 17,-1.5 16,-0.1 2,-0.3 0.994 360.0 123.0 53.2 67.3 -58.3 -47.1 -16.8 3 6 A E E -A 18 0A 67 15,-0.2 2,-0.3 62,-0.0 -1,-0.2 -0.873 56.6-123.5-145.7 172.3 -55.3 -47.2 -14.4 4 7 A L E -A 17 0A 3 13,-2.5 13,-2.5 -2,-0.3 2,-0.4 -0.965 18.3-163.7-125.8 145.3 -54.3 -47.5 -10.7 5 8 A R E -A 16 0A 137 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.993 6.0-160.4-131.4 134.2 -52.1 -45.2 -8.5 6 9 A L E -A 15 0A 1 9,-1.7 9,-2.2 -2,-0.4 2,-0.6 -0.957 22.4-130.8-108.5 129.3 -50.4 -45.7 -5.2 7 10 A K - 0 0 86 -2,-0.5 6,-0.1 65,-0.2 4,-0.0 -0.700 24.9-118.0 -82.2 119.0 -49.4 -42.6 -3.2 8 11 A S > - 0 0 2 4,-0.6 3,-1.3 -2,-0.6 191,-0.1 -0.232 17.0-129.3 -48.2 135.5 -45.8 -42.7 -2.0 9 12 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 190,-0.1 0.601 108.0 45.6 -70.1 -11.4 -45.6 -42.6 1.9 10 13 A V T 3 S- 0 0 44 188,-0.5 -2,-0.1 187,-0.1 189,-0.1 -0.216 123.6 -97.2-123.7 43.2 -43.2 -39.7 1.7 11 14 A G S < S+ 0 0 59 -3,-1.3 2,-0.1 1,-0.1 187,-0.1 0.747 76.0 144.3 51.1 32.1 -45.0 -37.6 -0.9 12 15 A A - 0 0 34 186,-0.3 -4,-0.6 1,-0.1 -1,-0.1 -0.404 65.3 -62.8 -85.5 172.9 -42.9 -38.8 -3.8 13 16 A E - 0 0 163 -2,-0.1 -1,-0.1 -6,-0.1 -6,-0.0 -0.400 66.4-110.3 -61.4 125.9 -44.4 -39.3 -7.3 14 17 A P - 0 0 35 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 -0.013 25.7-104.0 -58.9 159.0 -47.1 -42.0 -7.2 15 18 A A E -A 6 0A 1 -9,-2.2 -9,-1.7 183,-0.1 2,-0.4 -0.778 33.6-149.4 -87.0 118.4 -46.8 -45.5 -8.8 16 19 A V E -A 5 0A 77 -2,-0.6 -11,-0.2 -11,-0.2 -13,-0.0 -0.715 12.7-170.7 -88.7 136.9 -48.9 -45.7 -12.0 17 20 A Y E -A 4 0A 5 -13,-2.5 -13,-2.5 -2,-0.4 4,-0.1 -0.918 11.9-144.6-134.8 110.2 -50.4 -49.1 -12.9 18 21 A P E -A 3 0A 80 0, 0.0 -15,-0.2 0, 0.0 -16,-0.1 -0.327 34.6 -88.0 -68.9 149.0 -52.0 -49.8 -16.3 19 22 A W S S+ 0 0 64 -17,-1.5 2,-0.1 -18,-0.3 -2,-0.0 -0.914 108.7 44.6-109.5 136.7 -55.1 -52.1 -16.6 20 23 A P S S- 0 0 103 0, 0.0 43,-0.1 0, 0.0 44,-0.0 0.456 102.0-117.6 -74.2 152.8 -55.2 -55.0 -16.9 21 24 A L - 0 0 22 41,-0.2 10,-0.3 -2,-0.1 9,-0.2 -0.481 34.2-113.6 -72.9 112.7 -52.5 -55.5 -14.3 22 25 A P - 0 0 58 0, 0.0 8,-3.3 0, 0.0 2,-0.4 0.076 18.7-145.9 -50.5 142.4 -49.4 -57.1 -15.9 23 26 A V E -B 29 0B 105 6,-0.3 6,-0.3 7,-0.1 3,-0.1 -0.943 11.7-172.6-106.6 135.3 -48.2 -60.6 -14.9 24 27 A Y E - 0 0 51 4,-3.2 2,-0.3 -2,-0.4 5,-0.2 0.826 60.8 -16.5 -97.1 -42.3 -44.4 -61.1 -15.0 25 28 A D E > S-B 28 0B 66 3,-1.5 3,-1.3 94,-0.0 -1,-0.3 -0.884 84.0 -71.0-152.2-176.1 -44.0 -64.8 -14.5 26 29 A K T 3 S+ 0 0 195 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 0.681 132.4 27.2 -57.8 -20.8 -45.7 -68.0 -13.3 27 30 A H T 3 S+ 0 0 151 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.246 112.0 71.3-127.4 10.9 -45.6 -66.8 -9.7 28 31 A H E < +B 25 0B 72 -3,-1.3 -4,-3.2 4,-0.0 -3,-1.5 -0.877 44.9 162.9-143.4 109.2 -45.6 -62.9 -10.0 29 32 A D E > -B 23 0B 41 -2,-0.4 4,-1.3 -6,-0.3 -6,-0.3 -0.784 44.5-121.7-110.6 160.7 -48.3 -60.5 -11.0 30 33 A A H > S+ 0 0 0 -8,-3.3 4,-2.2 -2,-0.3 -7,-0.1 0.768 107.8 70.5 -70.2 -26.7 -48.5 -56.7 -10.5 31 34 A A H > S+ 0 0 5 -10,-0.3 4,-1.7 -9,-0.3 -1,-0.2 0.930 104.0 38.8 -54.4 -49.8 -51.8 -57.3 -8.6 32 35 A H H > S+ 0 0 98 2,-0.2 4,-3.3 -3,-0.2 -1,-0.2 0.823 107.1 64.8 -74.5 -30.4 -50.0 -58.9 -5.7 33 36 A E H X S+ 0 0 10 -4,-1.3 4,-4.0 2,-0.2 -2,-0.2 0.950 105.4 47.4 -48.4 -52.0 -47.1 -56.4 -6.0 34 37 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.972 111.9 46.7 -52.0 -66.3 -49.7 -53.8 -5.0 35 38 A I H X S+ 0 0 31 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.865 117.2 46.1 -46.3 -44.1 -51.1 -55.8 -2.1 36 39 A E H X S+ 0 0 93 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.974 110.3 51.6 -63.2 -55.9 -47.5 -56.4 -1.0 37 40 A T H X S+ 0 0 0 -4,-4.0 4,-1.7 1,-0.2 -2,-0.2 0.875 111.3 50.2 -47.7 -46.8 -46.5 -52.8 -1.4 38 41 A I H >X S+ 0 0 10 -4,-3.0 4,-2.9 2,-0.2 3,-1.0 0.983 111.7 43.9 -57.0 -61.3 -49.4 -51.7 0.7 39 42 A R H 3X S+ 0 0 111 -4,-2.2 4,-0.6 1,-0.3 -1,-0.2 0.718 111.5 56.4 -66.9 -19.4 -48.9 -54.0 3.6 40 43 A W H 3X S+ 0 0 47 -4,-2.3 4,-1.3 2,-0.2 -1,-0.3 0.831 109.7 44.0 -73.8 -34.8 -45.1 -53.2 3.5 41 44 A V H S+ 0 0 85 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.872 92.1 56.1 -49.9 -38.8 -48.0 -48.3 12.6 47 50 A D H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 105.0 48.4 -60.5 -46.9 -50.5 -45.5 12.2 48 51 A L H > S+ 0 0 1 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.936 112.7 49.6 -60.1 -45.8 -51.3 -46.4 8.6 49 52 A K H >X>S+ 0 0 55 -4,-2.5 4,-2.7 -7,-0.6 3,-0.9 0.946 110.6 50.2 -54.4 -51.2 -51.7 -50.0 9.7 50 53 A L H 3X5S+ 0 0 120 -4,-3.0 4,-0.6 1,-0.3 -2,-0.2 0.871 113.5 45.7 -54.7 -41.1 -54.0 -48.7 12.4 51 54 A A H 3<5S+ 0 0 46 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.648 124.7 33.9 -75.3 -17.4 -56.0 -46.7 9.8 52 55 A M H XX5S+ 0 0 5 -4,-1.3 4,-4.1 -3,-0.9 3,-1.9 0.880 112.2 49.0-103.9 -60.8 -56.1 -49.7 7.4 53 56 A E H 3<5S+ 0 0 81 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.839 103.6 60.3 -56.3 -42.8 -56.3 -53.0 9.3 54 57 A N T 3< - 0 0 89 -2,-0.3 3,-1.1 1,-0.2 6,-0.2 -0.655 34.0-155.3 -73.5 118.3 -60.6 -60.4 -6.3 62 65 A T T 3 S+ 0 0 36 -2,-0.6 -41,-0.2 1,-0.2 -1,-0.2 0.592 83.4 72.9 -74.5 -11.7 -57.7 -59.3 -8.4 63 66 A K T 3 S+ 0 0 178 -43,-0.1 2,-0.5 4,-0.0 -1,-0.2 0.720 86.1 76.2 -74.8 -23.2 -59.5 -59.8 -11.7 64 67 A S X> - 0 0 18 -3,-1.1 4,-1.2 1,-0.1 3,-0.6 -0.816 56.3-166.2-102.3 124.4 -61.7 -56.7 -11.1 65 68 A F H 3> S+ 0 0 27 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.824 95.8 62.0 -69.1 -33.9 -60.5 -53.1 -11.6 66 69 A E H 34 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.674 111.2 39.6 -63.7 -19.1 -63.6 -52.0 -9.8 67 70 A S H <> S+ 0 0 6 -3,-0.6 4,-0.9 -6,-0.2 -2,-0.2 0.636 113.9 51.6-104.7 -23.3 -62.3 -54.0 -6.8 68 71 A M H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.859 110.4 48.1 -81.5 -39.8 -58.6 -53.1 -7.2 69 72 A Q H X S+ 0 0 79 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.822 103.6 64.2 -67.0 -32.9 -59.3 -49.3 -7.3 70 73 A R H > S+ 0 0 134 -5,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.928 109.9 38.1 -53.5 -47.5 -61.5 -49.9 -4.3 71 74 A L H X S+ 0 0 6 -4,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.944 113.4 53.2 -71.7 -52.2 -58.4 -50.9 -2.3 72 75 A C H X S+ 0 0 2 -4,-2.4 4,-3.5 2,-0.2 -65,-0.2 0.904 110.5 49.0 -50.8 -48.4 -55.9 -48.3 -3.8 73 76 A D H X S+ 0 0 63 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.962 109.3 51.9 -54.6 -55.3 -58.3 -45.5 -3.0 74 77 A K H X S+ 0 0 21 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.904 114.3 44.2 -46.9 -49.2 -58.6 -46.8 0.6 75 78 A Y H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.946 112.8 50.4 -60.9 -52.0 -54.8 -46.8 0.8 76 79 A N H X S+ 0 0 19 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.822 111.2 49.8 -57.5 -34.8 -54.5 -43.4 -0.8 77 80 A R H X S+ 0 0 143 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.914 108.3 51.3 -70.4 -45.5 -57.0 -42.0 1.6 78 81 A A H X S+ 0 0 9 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.858 107.8 55.2 -58.9 -36.8 -55.3 -43.4 4.7 79 82 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.938 106.7 48.4 -60.1 -51.7 -52.0 -41.9 3.4 80 83 A D H X S+ 0 0 71 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.922 108.8 55.5 -57.1 -45.5 -53.5 -38.4 3.2 81 84 A S H X S+ 0 0 68 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.914 111.0 43.3 -52.5 -48.5 -54.9 -38.8 6.7 82 85 A I H X S+ 0 0 13 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.915 110.1 56.0 -67.0 -42.0 -51.4 -39.6 8.1 83 86 A H H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.815 106.1 52.3 -60.0 -32.5 -49.8 -36.8 6.1 84 87 A Q H >< S+ 0 0 120 -4,-2.2 3,-2.0 1,-0.2 4,-0.4 0.923 107.2 51.0 -64.5 -46.0 -52.3 -34.5 7.8 85 88 A L H ><>S+ 0 0 70 -4,-1.8 3,-0.8 1,-0.3 5,-0.5 0.761 99.8 66.1 -61.4 -26.3 -51.1 -35.9 11.1 86 89 A W T 3<5S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.614 97.4 54.5 -68.2 -15.9 -47.6 -35.1 9.9 87 90 A K T < 5S+ 0 0 155 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.569 101.8 74.9 -92.5 -13.3 -48.7 -31.4 10.1 88 91 A G T < 5S- 0 0 48 -3,-0.8 -3,-0.0 -4,-0.4 0, 0.0 0.088 110.9 -73.1 -80.7-162.3 -49.7 -31.8 13.7 89 92 A T T 5S+ 0 0 140 2,-0.1 2,-0.3 0, 0.0 -3,-0.1 0.615 103.6 96.1 -72.9 -13.3 -47.5 -32.1 16.9 90 93 A T S - 0 0 72 1,-0.1 4,-2.4 -2,-0.1 3,-0.4 -0.563 34.0-107.1 -74.5 151.2 -35.6 -54.1 6.9 101 104 A T H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.918 120.2 52.0 -43.4 -57.8 -34.6 -57.4 5.3 102 105 A G H > S+ 0 0 18 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.865 111.5 46.1 -46.3 -49.2 -38.2 -58.3 4.7 103 106 A L H > S+ 0 0 4 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.895 108.3 56.0 -63.2 -43.0 -39.0 -55.0 3.0 104 107 A L H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.817 100.1 58.0 -65.4 -34.2 -36.0 -55.1 0.8 105 108 A R H X S+ 0 0 103 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.965 109.8 45.4 -58.3 -51.0 -36.8 -58.5 -0.7 106 109 A H H X S+ 0 0 14 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.874 113.1 51.2 -56.7 -42.2 -40.1 -57.0 -1.9 107 110 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.3 0.960 111.4 44.7 -63.3 -52.6 -38.4 -53.9 -3.2 108 111 A L H X S+ 0 0 19 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.849 109.1 59.6 -61.1 -35.2 -35.7 -55.7 -5.2 109 112 A Q H X S+ 0 0 62 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.903 105.9 46.8 -57.8 -45.0 -38.5 -57.9 -6.5 110 113 A Q H X S+ 0 0 1 -4,-1.8 4,-2.4 -3,-0.3 5,-0.3 0.928 108.9 54.8 -61.4 -47.8 -40.3 -54.9 -7.9 111 114 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 5,-0.3 0.855 112.4 44.5 -55.2 -39.2 -37.0 -53.6 -9.5 112 115 A Y H X S+ 0 0 58 -4,-2.1 4,-3.0 2,-0.2 3,-0.4 0.991 112.3 49.5 -67.6 -61.1 -36.7 -57.0 -11.2 113 116 A N H < S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.772 118.3 41.1 -47.0 -35.1 -40.4 -57.3 -12.4 114 117 A H H < S+ 0 0 66 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.803 121.2 37.4 -89.8 -31.2 -40.2 -53.8 -13.8 115 118 A S H < S+ 0 0 6 -4,-1.6 2,-1.6 -3,-0.4 3,-0.2 0.844 98.0 76.6 -91.4 -38.4 -36.8 -53.7 -15.4 116 119 A V < + 0 0 10 -4,-3.0 -1,-0.2 -5,-0.3 -4,-0.0 -0.587 54.5 170.4 -79.0 88.3 -36.5 -57.3 -16.8 117 120 A T S S+ 0 0 120 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.0 0.895 74.7 35.8 -66.7 -43.4 -38.8 -56.9 -19.8 118 121 A D >> - 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