==== 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 4ER3 . 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,A.FEDE . 311 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 6.8 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 36.3 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+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 0 1 0 1 1 1 1 1 0 0 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 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 0 135 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.2 56.9 46.5 -13.3 2 5 A L + 0 0 107 17,-0.3 17,-1.0 18,-0.0 2,-0.3 -0.603 360.0 177.0 -62.2 145.0 58.6 48.3 -10.4 3 6 A E E -A 18 0A 75 -2,-0.2 2,-0.4 15,-0.2 13,-0.0 -0.987 38.2-144.9-154.0 153.2 56.0 48.1 -7.7 4 7 A L E -A 17 0A 6 13,-2.5 13,-2.9 -2,-0.3 2,-0.4 -0.968 25.2-166.3-118.3 145.0 55.1 48.9 -4.1 5 8 A R E -A 16 0A 116 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.983 10.1-160.7-131.1 140.0 52.9 46.4 -2.3 6 9 A L E -A 15 0A 0 9,-2.6 9,-2.2 -2,-0.4 2,-0.2 -0.988 19.0-135.3-122.0 124.7 51.0 46.7 1.0 7 10 A K - 0 0 80 -2,-0.5 6,-0.1 65,-0.2 72,-0.0 -0.538 22.2-116.7 -76.6 140.4 49.8 43.6 2.8 8 11 A S > - 0 0 3 4,-0.6 3,-0.9 -2,-0.2 189,-0.1 -0.470 12.6-133.5 -67.6 142.1 46.3 43.5 4.1 9 12 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 188,-0.1 0.467 107.1 43.3 -74.4 -1.3 46.0 43.1 7.9 10 13 A V T 3 S- 0 0 49 186,-0.6 187,-0.1 2,-0.1 188,-0.0 0.092 121.1 -97.8-130.8 25.9 43.4 40.4 7.3 11 14 A G S < S+ 0 0 64 -3,-0.9 185,-0.1 1,-0.2 -4,-0.0 0.564 73.7 141.1 77.3 10.0 44.9 38.4 4.5 12 15 A A - 0 0 35 184,-0.3 -4,-0.6 183,-0.2 -1,-0.2 -0.230 69.0 -65.6 -71.6 174.3 43.1 39.9 1.5 13 16 A E - 0 0 78 1,-0.1 -1,-0.2 -6,-0.1 3,-0.0 -0.324 64.3-104.2 -62.9 141.1 45.0 40.5 -1.7 14 17 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.304 28.9-111.8 -67.1 153.2 47.7 43.1 -1.3 15 18 A A E -A 6 0A 12 -9,-2.2 -9,-2.6 -3,-0.1 2,-0.5 -0.746 35.9-159.2 -80.7 130.6 47.3 46.6 -2.6 16 19 A V E -A 5 0A 66 -2,-0.5 -11,-0.2 -11,-0.2 -3,-0.0 -0.962 10.6-175.9-119.3 123.3 49.7 47.0 -5.5 17 20 A Y E -A 4 0A 6 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.1 -0.932 20.3-128.2-117.9 142.0 50.9 50.4 -6.7 18 21 A P E -A 3 0A 72 0, 0.0 -15,-0.2 0, 0.0 -13,-0.0 -0.393 34.4 -93.1 -83.6 162.7 53.1 51.2 -9.7 19 22 A W S S+ 0 0 60 -17,-1.0 -17,-0.3 2,-0.1 2,-0.1 -0.947 108.7 46.7-119.0 142.6 56.2 53.4 -9.5 20 23 A P S S- 0 0 104 0, 0.0 43,-0.1 0, 0.0 -1,-0.0 0.655 104.2-122.8 -60.9 148.0 56.4 56.3 -10.1 21 24 A L - 0 0 25 41,-0.2 -2,-0.1 -2,-0.1 10,-0.1 -0.450 27.3-110.3 -69.5 134.4 53.4 56.7 -7.9 22 25 A P - 0 0 56 0, 0.0 8,-3.0 0, 0.0 2,-0.4 -0.207 18.5-133.5 -65.5 153.1 50.4 58.4 -9.6 23 26 A V E -B 29 0B 105 6,-0.2 6,-0.3 1,-0.2 3,-0.1 -0.874 14.0-169.9 -99.8 136.8 49.1 61.9 -8.7 24 27 A Y E - 0 0 51 4,-2.6 2,-0.3 1,-0.4 5,-0.2 0.893 64.9 -35.7 -90.2 -53.2 45.3 62.2 -8.2 25 28 A D E > S-B 28 0B 65 3,-1.8 3,-1.2 0, 0.0 -1,-0.4 -0.884 80.5 -66.6-156.9-175.6 45.0 66.0 -8.1 26 29 A K T 3 S+ 0 0 120 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.725 132.4 32.6 -56.2 -24.4 46.9 69.0 -6.7 27 30 A H T 3 S+ 0 0 161 1,-0.1 2,-0.4 -4,-0.0 -1,-0.3 0.429 115.0 54.0-114.5 -2.7 46.3 67.9 -3.1 28 31 A H E < +B 25 0B 67 -3,-1.2 -4,-2.6 4,-0.0 -3,-1.8 -0.991 52.6 161.9-139.0 130.6 46.3 64.0 -3.2 29 32 A D E > -B 23 0B 33 -2,-0.4 4,-1.9 -6,-0.3 3,-0.3 -0.922 49.6-104.9-137.4 169.1 48.7 61.4 -4.6 30 33 A A H > S+ 0 0 0 -8,-3.0 4,-2.7 -2,-0.3 5,-0.2 0.856 113.6 65.5 -61.6 -31.7 49.4 57.7 -4.2 31 34 A A H > S+ 0 0 2 -9,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.943 108.8 37.7 -55.5 -51.5 52.5 58.3 -2.0 32 35 A H H > S+ 0 0 85 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.834 110.2 60.1 -73.0 -32.9 50.4 59.9 0.7 33 36 A E H X S+ 0 0 10 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.945 108.8 47.1 -53.2 -48.3 47.5 57.4 0.3 34 37 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.953 113.5 46.1 -57.8 -52.5 50.2 54.7 1.1 35 38 A I H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.933 115.2 46.3 -60.5 -45.9 51.5 56.5 4.1 36 39 A E H X S+ 0 0 84 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.911 110.6 53.5 -65.3 -41.3 48.1 57.3 5.5 37 40 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.955 109.7 48.7 -55.6 -49.9 46.9 53.7 4.9 38 41 A I H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.953 111.5 49.3 -53.2 -56.4 49.9 52.4 6.9 39 42 A R H X S+ 0 0 80 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.882 110.6 50.4 -53.7 -40.7 49.2 54.8 9.7 40 43 A W H X S+ 0 0 72 -4,-2.6 4,-2.3 2,-0.2 3,-0.2 0.912 107.9 52.2 -68.3 -38.5 45.5 53.8 9.8 41 44 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.886 105.7 56.3 -63.4 -34.1 46.4 50.1 10.0 42 45 A C H < S+ 0 0 3 -4,-2.2 7,-0.6 -5,-0.2 -1,-0.2 0.849 108.3 47.0 -63.8 -32.9 48.6 51.0 12.9 43 46 A E H < S+ 0 0 117 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.854 108.7 55.8 -72.6 -35.3 45.6 52.6 14.7 44 47 A E H < S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 118.0 33.5 -58.3 -38.3 43.5 49.5 13.8 45 48 A I >X - 0 0 6 -4,-1.7 4,-1.7 1,-0.1 3,-0.7 -0.887 65.1-165.2-130.1 98.7 46.0 47.2 15.5 46 49 A P H 3> S+ 0 0 90 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.869 90.7 57.9 -54.7 -40.4 47.9 48.5 18.6 47 50 A D H 3> S+ 0 0 63 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.893 105.7 51.4 -55.7 -41.0 50.6 45.7 18.4 48 51 A L H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.919 108.0 51.7 -60.0 -44.8 51.4 46.8 14.9 49 52 A K H < S+ 0 0 74 -4,-1.7 -2,-0.2 -7,-0.6 7,-0.2 0.914 113.1 45.0 -59.9 -44.6 51.8 50.4 16.2 50 53 A L H >< S+ 0 0 126 -4,-2.6 3,-1.5 1,-0.2 4,-0.4 0.953 109.1 56.7 -61.2 -48.2 54.2 49.1 18.9 51 54 A A H 3< S+ 0 0 57 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.788 124.5 22.0 -59.1 -32.2 56.1 46.9 16.4 52 55 A M T >X S+ 0 0 2 -4,-1.9 3,-2.5 -5,-0.1 4,-2.4 0.053 81.2 125.4-125.2 28.9 56.9 49.9 14.1 53 56 A E H <> S+ 0 0 58 -3,-1.5 4,-0.7 1,-0.3 -2,-0.1 0.883 76.7 55.6 -47.5 -42.8 56.5 52.8 16.6 54 57 A N H 34 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.2 -4,-0.1 0.311 118.5 32.8 -78.2 11.0 60.1 53.8 15.6 55 58 A Y H X4 S+ 0 0 5 -3,-2.5 3,-0.6 19,-0.0 -2,-0.2 0.601 100.0 70.5-133.7 -32.4 59.1 54.0 11.9 56 59 A V H 3< S+ 0 0 11 -4,-2.4 2,-0.6 1,-0.3 -3,-0.1 0.843 99.6 48.6 -68.1 -37.5 55.4 55.1 11.5 57 60 A L T 3< S+ 0 0 135 -4,-0.7 2,-0.3 2,-0.1 -1,-0.3 -0.522 85.2 103.3-105.1 61.0 55.9 58.7 12.5 58 61 A I S < S- 0 0 78 -3,-0.6 2,-1.7 -2,-0.6 -3,-0.0 -0.985 76.4-117.9-134.5 139.2 58.9 59.7 10.5 59 62 A D - 0 0 157 -2,-0.3 -2,-0.1 2,-0.0 3,-0.1 -0.517 36.7-158.8 -85.2 83.6 58.4 61.8 7.3 60 63 A Y - 0 0 40 -2,-1.7 2,-0.9 1,-0.1 8,-0.1 -0.013 26.2-102.1 -54.6 158.1 59.7 59.6 4.5 61 64 A D > - 0 0 79 1,-0.1 3,-0.9 3,-0.1 7,-0.3 -0.789 30.2-165.0 -86.8 108.7 60.8 60.9 1.2 62 65 A T T 3 S+ 0 0 24 -2,-0.9 -41,-0.2 1,-0.2 -1,-0.1 0.428 84.9 57.0 -78.8 0.6 57.9 60.2 -1.2 63 66 A K T 3 S+ 0 0 160 -43,-0.1 2,-0.6 -32,-0.0 -1,-0.2 0.576 88.9 82.5-104.8 -17.2 60.1 60.8 -4.3 64 67 A S <> - 0 0 50 -3,-0.9 4,-2.0 1,-0.2 5,-0.2 -0.813 64.6-156.9 -84.2 122.7 62.7 58.1 -3.4 65 68 A F H > S+ 0 0 31 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.885 96.4 51.9 -62.0 -38.5 61.6 54.7 -4.5 66 69 A E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 108.5 50.0 -67.1 -39.6 64.0 53.2 -1.9 67 70 A S H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.909 116.4 41.4 -64.7 -44.2 62.6 55.4 0.9 68 71 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 -7,-0.3 -2,-0.2 0.899 113.4 53.9 -68.7 -42.0 59.1 54.3 0.0 69 72 A Q H X S+ 0 0 62 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.846 107.0 52.2 -60.1 -35.1 60.2 50.7 -0.5 70 73 A R H X S+ 0 0 63 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.870 108.3 51.4 -69.1 -37.8 61.7 50.7 3.0 71 74 A L H X S+ 0 0 4 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.944 112.5 44.8 -62.7 -47.3 58.4 52.0 4.4 72 75 A C H X S+ 0 0 1 -4,-2.4 4,-3.7 2,-0.2 -65,-0.2 0.909 113.9 48.2 -68.7 -40.1 56.4 49.2 2.8 73 76 A D H X S+ 0 0 51 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.938 110.4 52.5 -61.8 -46.8 58.9 46.4 3.7 74 77 A K H X S+ 0 0 60 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.918 116.0 41.3 -55.1 -41.0 59.0 47.7 7.3 75 78 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 113.1 51.6 -72.3 -50.4 55.1 47.5 7.3 76 79 A N H X S+ 0 0 19 -4,-3.7 4,-2.3 1,-0.2 -2,-0.2 0.855 111.4 48.1 -57.8 -35.7 54.8 44.2 5.4 77 80 A R H X S+ 0 0 163 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.868 109.4 52.9 -72.5 -36.6 57.2 42.5 7.8 78 81 A A H X S+ 0 0 10 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.900 109.2 50.1 -66.0 -38.4 55.4 43.9 10.8 79 82 A I H >X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 3,-0.6 0.971 108.8 50.8 -61.3 -53.7 52.2 42.4 9.3 80 83 A D H 3X S+ 0 0 67 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.938 112.2 49.2 -45.7 -51.5 53.9 39.0 8.9 81 84 A S H 3X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.788 110.4 48.7 -58.6 -36.7 55.0 39.2 12.5 82 85 A I H - 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