==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 19-APR-12 4ER7 . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-79 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.WERNIMONT,W.TEMPEL,W.YU,A.SCOPTON,Y.LI,K.T.NGUYEN,M.VEDA . 326 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.7 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 . 3 0.9 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 0 0 2 1 2 1 0 0 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 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 0 145 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.3 57.3 45.2 -13.6 2 5 A L + 0 0 99 17,-0.2 17,-1.7 16,-0.0 2,-0.3 -0.294 360.0 177.9 -72.7 151.4 57.8 46.8 -10.2 3 6 A E E -A 18 0A 88 15,-0.2 2,-0.4 -2,-0.0 13,-0.0 -0.987 27.2-145.0-154.0 154.4 55.1 46.6 -7.5 4 7 A L E -A 17 0A 5 13,-2.6 13,-3.3 -2,-0.3 2,-0.4 -0.970 21.8-169.7-124.9 141.0 54.0 47.5 -4.0 5 8 A R E -A 16 0A 119 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.985 10.3-161.0-131.5 140.3 51.7 45.2 -2.0 6 9 A L E -A 15 0A 0 9,-2.7 9,-2.7 -2,-0.4 2,-0.2 -0.993 20.5-131.5-120.8 133.1 49.9 45.6 1.2 7 10 A K - 0 0 77 -2,-0.4 6,-0.1 7,-0.2 68,-0.0 -0.560 23.7-114.6 -77.1 141.0 48.7 42.7 3.2 8 11 A S > - 0 0 2 4,-0.7 3,-1.4 -2,-0.2 187,-0.1 -0.519 17.6-131.3 -67.7 138.8 45.1 42.7 4.5 9 12 A P T 3 S+ 0 0 0 0, 0.0 80,-0.2 0, 0.0 -1,-0.1 0.592 107.3 40.3 -69.1 -9.8 44.9 42.7 8.3 10 13 A V T 3 S- 0 0 46 184,-0.7 185,-0.1 183,-0.1 186,-0.0 -0.007 123.4 -94.5-126.1 24.3 42.5 39.8 8.2 11 14 A G S < S+ 0 0 59 -3,-1.4 183,-0.1 1,-0.2 -4,-0.0 0.601 73.9 141.7 77.7 13.0 44.0 37.6 5.4 12 15 A A - 0 0 39 182,-0.3 -4,-0.7 181,-0.2 -1,-0.2 -0.246 68.5 -65.0 -69.0 175.5 42.1 38.8 2.4 13 16 A E - 0 0 161 1,-0.1 -1,-0.2 -6,-0.1 -2,-0.0 -0.281 66.0 -99.0 -59.2 146.5 44.0 39.1 -0.9 14 17 A P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.310 27.8-113.8 -73.2 152.7 46.7 41.8 -0.8 15 18 A A E -A 6 0A 3 -9,-2.7 -9,-2.7 -3,-0.1 2,-0.4 -0.776 37.6-162.9 -79.6 127.8 46.3 45.3 -2.2 16 19 A V E -A 5 0A 61 -2,-0.5 -11,-0.2 -11,-0.2 -13,-0.0 -0.960 10.3-176.3-120.9 128.0 48.7 45.5 -5.2 17 20 A Y E -A 4 0A 6 -13,-3.3 -13,-2.6 -2,-0.4 4,-0.1 -0.973 21.4-128.2-122.5 136.2 49.8 48.8 -6.8 18 21 A P E -A 3 0A 71 0, 0.0 -15,-0.2 0, 0.0 -16,-0.0 -0.389 37.1 -91.2 -76.0 158.3 52.0 49.2 -9.8 19 22 A W S S+ 0 0 59 -17,-1.7 -17,-0.2 2,-0.1 2,-0.1 -0.919 109.7 48.4-114.4 141.2 55.1 51.4 -9.8 20 23 A P S S- 0 0 101 0, 0.0 39,-0.1 0, 0.0 0, 0.0 0.605 107.2-115.6 -63.2 150.6 55.4 54.3 -10.5 21 24 A L - 0 0 19 37,-0.2 -2,-0.1 -2,-0.1 10,-0.1 -0.432 31.0-114.8 -65.5 125.3 52.3 54.8 -8.3 22 25 A P - 0 0 50 0, 0.0 8,-2.6 0, 0.0 2,-0.4 -0.067 16.7-132.8 -55.9 153.2 49.2 56.1 -10.2 23 26 A V E -B 29 0B 98 6,-0.2 6,-0.3 1,-0.1 3,-0.1 -0.939 14.7-168.7-104.1 135.5 47.7 59.5 -9.6 24 27 A Y E - 0 0 47 4,-2.0 2,-0.3 -2,-0.4 5,-0.2 0.866 62.5 -36.2 -94.2 -46.5 43.8 59.4 -9.2 25 28 A D E > S-B 28 0B 46 3,-2.1 3,-0.9 90,-0.0 -1,-0.4 -0.919 80.7 -62.4-160.4-169.4 43.1 63.2 -9.4 26 29 A K T 3 S+ 0 0 118 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.746 132.8 26.7 -57.7 -28.4 44.5 66.6 -8.5 27 30 A H T 3 S+ 0 0 159 1,-0.1 2,-0.4 -4,-0.0 -1,-0.3 0.448 115.9 60.9-114.8 -1.1 44.3 65.8 -4.7 28 31 A H E < +B 25 0B 66 -3,-0.9 -3,-2.1 81,-0.0 -4,-2.0 -0.986 50.5 162.5-133.7 139.7 44.6 62.0 -4.5 29 32 A D E > -B 23 0B 32 -2,-0.4 4,-2.4 -6,-0.3 3,-0.4 -0.968 48.2-105.1-147.6 167.8 47.2 59.4 -5.5 30 33 A A H > S+ 0 0 0 -8,-2.6 4,-2.4 -2,-0.3 5,-0.2 0.830 114.1 60.3 -63.8 -31.0 48.1 55.8 -4.8 31 34 A A H > S+ 0 0 5 -9,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.902 110.2 40.0 -66.1 -43.7 51.1 56.8 -2.6 32 35 A H H > S+ 0 0 90 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.859 110.6 57.6 -75.0 -33.6 48.9 58.6 -0.1 33 36 A E H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 109.7 47.4 -57.8 -42.2 46.3 56.0 -0.3 34 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.959 112.4 47.7 -60.3 -53.3 49.0 53.5 0.8 35 38 A I H X S+ 0 0 33 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 115.0 45.6 -55.5 -43.9 50.2 55.8 3.6 36 39 A E H X S+ 0 0 60 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.838 108.4 55.8 -73.7 -35.1 46.7 56.3 4.8 37 40 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.955 110.4 47.5 -55.8 -45.2 45.7 52.6 4.6 38 41 A I H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.945 112.0 47.7 -64.6 -49.2 48.7 51.9 6.9 39 42 A R H X S+ 0 0 138 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.892 113.9 48.7 -62.8 -34.4 47.8 54.6 9.4 40 43 A W H X S+ 0 0 61 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.893 108.8 51.1 -73.2 -35.4 44.2 53.4 9.4 41 44 A V H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.933 108.3 55.1 -62.6 -37.8 45.2 49.7 9.9 42 45 A C H < S+ 0 0 11 -4,-2.5 7,-0.5 1,-0.2 -1,-0.2 0.835 107.5 47.9 -62.3 -34.6 47.3 51.0 12.8 43 46 A E H < S+ 0 0 102 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 110.5 53.6 -70.0 -32.4 44.2 52.7 14.3 44 47 A E H < S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.759 120.8 29.1 -71.9 -24.8 42.4 49.4 13.8 45 48 A I >X - 0 0 8 -4,-1.3 4,-1.7 -5,-0.1 3,-0.7 -0.868 63.0-165.0-143.3 101.2 45.1 47.4 15.7 46 49 A P H 3> S+ 0 0 92 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.824 89.3 62.2 -63.1 -31.8 47.1 49.0 18.5 47 50 A D H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.928 107.2 47.2 -56.5 -39.2 49.8 46.3 18.6 48 51 A L H <> S+ 0 0 0 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.910 108.8 52.9 -64.7 -43.4 50.6 47.3 15.0 49 52 A K H < S+ 0 0 109 -4,-1.7 3,-0.5 -7,-0.5 -2,-0.2 0.920 107.9 53.2 -60.4 -43.9 50.6 51.0 15.9 50 53 A L H < S+ 0 0 143 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.934 110.4 46.2 -51.1 -50.4 53.1 50.0 18.6 51 54 A A H < 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.671 360.0 360.0 -73.6 -18.1 55.4 48.3 16.1 52 55 A M < 0 0 69 -4,-1.5 -1,-0.2 -3,-0.5 19,-0.0 -0.595 360.0 360.0 -89.4 360.0 55.3 51.1 13.5 53 ! 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 54 61 A I 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.2 56.5 62.0 7.0 55 62 A D + 0 0 108 2,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.116 360.0 109.3 -89.9 32.3 60.2 61.3 6.5 56 63 A Y - 0 0 94 8,-0.0 2,-0.8 11,-0.0 8,-0.1 -0.890 67.2-138.4-112.4 141.8 59.2 59.1 3.6 57 64 A D > - 0 0 87 -2,-0.4 3,-1.8 1,-0.1 7,-0.3 -0.884 10.3-166.3-102.9 104.4 59.8 60.0 -0.1 58 65 A T T 3 S+ 0 0 33 -2,-0.8 -37,-0.2 1,-0.3 -1,-0.1 0.583 88.4 57.6 -67.2 -12.3 56.7 59.0 -2.0 59 66 A K T 3 S+ 0 0 148 -39,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.470 90.6 84.5 -96.7 -1.3 58.7 59.4 -5.3 60 67 A S <> - 0 0 39 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.896 63.4-156.3-103.6 121.6 61.3 56.8 -4.3 61 68 A F H > S+ 0 0 42 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.885 97.2 50.2 -56.6 -40.0 60.6 53.2 -4.9 62 69 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 110.4 48.8 -70.8 -38.4 63.1 52.1 -2.2 63 70 A S H > S+ 0 0 24 -6,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.908 116.5 42.2 -65.8 -41.1 61.6 54.5 0.4 64 71 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 -7,-0.3 -2,-0.2 0.869 112.4 54.3 -76.5 -36.8 58.0 53.3 -0.4 65 72 A Q H X S+ 0 0 77 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.913 107.2 51.3 -62.0 -40.5 59.1 49.6 -0.5 66 73 A R H X S+ 0 0 45 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.815 110.1 49.6 -67.2 -30.9 60.6 49.9 2.9 67 74 A L H X S+ 0 0 15 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.958 115.3 42.4 -69.0 -50.7 57.4 51.4 4.3 68 75 A C H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.2 -61,-0.2 0.899 114.6 50.5 -62.3 -42.9 55.3 48.6 2.8 69 76 A D H X S+ 0 0 66 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.929 110.7 50.5 -60.4 -48.3 57.8 45.9 3.8 70 77 A K H X S+ 0 0 79 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.889 113.0 44.7 -60.8 -39.9 57.8 47.2 7.3 71 78 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 113.2 51.6 -64.3 -47.0 54.0 47.2 7.5 72 79 A N H X S+ 0 0 24 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.897 109.6 49.3 -59.2 -39.9 53.9 43.7 5.9 73 80 A R H X S+ 0 0 155 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.954 111.4 49.7 -61.6 -49.0 56.4 42.3 8.5 74 81 A A H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.862 109.1 52.1 -61.1 -37.3 54.4 43.9 11.3 75 82 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.947 109.1 49.8 -63.2 -49.0 51.2 42.3 9.9 76 83 A D H X S+ 0 0 69 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.944 111.5 49.3 -53.4 -46.8 52.8 38.8 9.8 77 84 A S H X S+ 0 0 66 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.829 109.8 50.8 -67.4 -30.3 53.9 39.2 13.4 78 85 A I H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.863 107.2 53.4 -72.0 -39.9 50.4 40.3 14.5 79 86 A H H X S+ 0 0 45 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.859 109.5 49.4 -60.9 -32.6 48.9 37.3 12.8 80 87 A Q H >X S+ 0 0 123 -4,-1.8 4,-1.3 -5,-0.2 3,-0.7 0.942 107.1 54.9 -68.1 -46.4 51.4 35.1 14.8 81 88 A L H 3<>S+ 0 0 74 -4,-2.1 5,-0.6 1,-0.3 3,-0.3 0.869 106.5 52.1 -52.0 -40.2 50.4 37.0 18.0 82 89 A W H 3<5S+ 0 0 44 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.783 101.5 58.5 -71.5 -30.3 46.8 36.1 17.3 83 90 A K H <<5S+ 0 0 161 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.805 107.3 59.6 -64.5 -29.6 47.6 32.4 16.8 84 91 A G T <5S- 0 0 53 -4,-1.3 -3,-0.1 -3,-0.3 -2,-0.0 0.466 122.8 -65.0 -72.2-142.8 49.0 32.6 20.4 85 92 A T T 5S+ 0 0 153 2,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.760 102.4 101.9 -86.7 -26.9 46.9 33.6 23.5 86 93 A T S - 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