==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-JUL-11 3SR4 . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-79 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.DIAO,P.CHEN,Y.YAO,B.V.V.PRASAD,Y.SONG . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.3 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 33.7 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 0 0 0 0 2 1 1 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 5 A L 0 0 146 0, 0.0 17,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 118.5 11.3 72.5 9.5 2 6 A E E -A 17 0A 88 15,-0.2 2,-0.4 2,-0.0 13,-0.1 -0.875 360.0-121.2-151.9-177.2 13.1 70.7 6.6 3 7 A L E -A 16 0A 5 13,-1.7 13,-3.1 -2,-0.3 2,-0.4 -0.993 28.7-159.6-134.7 132.5 14.0 70.6 2.9 4 8 A R E -A 15 0A 116 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.928 9.2-164.5-120.4 144.5 13.0 67.7 0.8 5 9 A L E -A 14 0A 0 9,-2.2 9,-2.9 -2,-0.4 2,-0.1 -0.985 20.2-135.6-127.5 119.7 14.3 66.4 -2.5 6 10 A K - 0 0 73 -2,-0.5 6,-0.1 65,-0.2 72,-0.0 -0.426 22.6-112.0 -74.6 148.9 12.3 63.9 -4.5 7 11 A S > - 0 0 3 4,-0.7 3,-1.4 1,-0.1 198,-0.1 -0.579 14.0-135.2 -78.7 136.1 13.9 60.9 -6.1 8 12 A P T 3 S+ 0 0 0 0, 0.0 84,-0.2 0, 0.0 -1,-0.1 0.666 107.9 41.1 -67.1 -9.7 14.0 60.9 -9.9 9 13 A V T 3 S- 0 0 44 195,-0.6 196,-0.1 194,-0.1 197,-0.0 0.174 123.2 -95.5-122.2 17.0 12.9 57.2 -9.7 10 14 A G S < S+ 0 0 57 -3,-1.4 194,-0.1 1,-0.2 -4,-0.0 0.558 72.4 142.0 86.3 6.7 10.3 57.3 -6.9 11 15 A A - 0 0 36 193,-0.3 -4,-0.7 192,-0.2 -1,-0.2 -0.217 69.1 -67.1 -72.0 173.2 12.4 56.3 -3.9 12 16 A E - 0 0 165 -6,-0.1 -1,-0.2 1,-0.1 -2,-0.0 -0.363 66.2-100.9 -61.3 138.1 11.6 58.0 -0.5 13 17 A P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.109 32.0-109.2 -58.7 159.6 12.6 61.7 -0.7 14 18 A A E -A 5 0A 10 -9,-2.9 -9,-2.2 -3,-0.1 2,-0.5 -0.806 34.9-155.7 -91.8 128.4 15.8 63.0 0.8 15 19 A V E -A 4 0A 63 -2,-0.5 -11,-0.2 -11,-0.2 -13,-0.0 -0.921 11.4-173.4-113.7 127.5 15.1 65.1 3.9 16 20 A Y E -A 3 0A 6 -13,-3.1 -13,-1.7 -2,-0.5 4,-0.1 -0.964 18.7-135.3-119.9 129.8 17.5 67.8 5.3 17 21 A P E -A 2 0A 79 0, 0.0 -15,-0.2 0, 0.0 0, 0.0 -0.350 35.6 -90.4 -76.2 161.0 16.9 69.5 8.6 18 22 A W S S+ 0 0 58 -17,-1.2 2,-0.2 2,-0.1 46,-0.0 -0.973 108.0 47.7-124.4 138.7 17.3 73.3 9.0 19 23 A P S S- 0 0 106 0, 0.0 43,-0.1 0, 0.0 45,-0.0 0.507 102.5-120.7 -59.1 151.1 19.7 75.0 9.6 20 24 A L - 0 0 26 41,-0.2 -2,-0.1 -2,-0.2 10,-0.0 -0.498 29.6-118.6 -71.5 133.9 21.6 72.9 7.1 21 25 A P - 0 0 53 0, 0.0 8,-2.9 0, 0.0 9,-0.4 -0.242 14.0-129.2 -73.1 161.5 24.6 71.1 8.7 22 26 A V E -B 28 0B 105 6,-0.2 6,-0.3 1,-0.1 3,-0.1 -0.899 13.2-168.8-109.3 139.4 28.2 71.5 7.8 23 27 A Y E - 0 0 40 4,-3.7 2,-0.3 1,-0.5 5,-0.2 0.818 67.0 -38.7 -95.4 -39.6 30.3 68.4 7.1 24 28 A D E > S-B 27 0B 57 3,-1.6 3,-1.4 94,-0.0 -1,-0.5 -0.925 80.3 -65.7-170.0 179.8 33.8 70.0 7.1 25 29 A K T 3 S+ 0 0 193 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.688 134.6 36.2 -55.7 -17.6 35.4 73.2 6.0 26 30 A H T 3 S+ 0 0 147 1,-0.2 2,-0.4 -4,-0.0 -1,-0.3 0.452 113.1 54.7-117.9 1.4 34.7 72.3 2.4 27 31 A H E < +B 24 0B 62 -3,-1.4 -4,-3.7 85,-0.0 -3,-1.6 -0.974 50.6 165.5-142.1 127.3 31.3 70.5 2.5 28 32 A D E >> -B 22 0B 43 -2,-0.4 4,-1.5 -6,-0.3 3,-0.5 -0.936 46.1-112.5-133.7 158.6 27.9 71.5 3.7 29 33 A A H 3> S+ 0 0 0 -8,-2.9 4,-2.2 -2,-0.3 5,-0.2 0.863 112.3 63.4 -56.2 -37.0 24.4 70.1 3.2 30 34 A A H 3> S+ 0 0 4 -9,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.897 107.4 40.2 -56.1 -46.2 23.4 73.2 1.3 31 35 A H H <> S+ 0 0 94 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.750 110.0 59.2 -76.9 -23.5 25.8 72.6 -1.5 32 36 A E H X S+ 0 0 10 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.887 107.3 49.1 -68.0 -38.7 25.2 68.9 -1.5 33 37 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.956 112.0 46.2 -63.4 -52.9 21.6 69.8 -2.3 34 38 A I H X S+ 0 0 24 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.892 115.3 48.3 -58.3 -40.6 22.5 72.1 -5.1 35 39 A E H X S+ 0 0 72 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.826 107.6 53.9 -70.8 -33.8 24.9 69.5 -6.4 36 40 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.920 110.0 47.2 -67.0 -43.5 22.4 66.7 -6.2 37 41 A I H X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.900 111.0 53.5 -62.9 -40.1 19.9 68.7 -8.3 38 42 A R H X S+ 0 0 122 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.901 112.5 43.6 -61.1 -41.9 22.7 69.5 -10.7 39 43 A W H X S+ 0 0 42 -4,-2.2 4,-1.9 2,-0.2 3,-0.4 0.843 109.3 53.4 -76.4 -34.9 23.5 65.8 -11.2 40 44 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.864 106.4 56.3 -67.2 -31.7 19.9 64.6 -11.5 41 45 A C H < S+ 0 0 10 -4,-1.8 7,-0.5 -5,-0.2 -1,-0.2 0.767 104.3 53.5 -68.0 -23.8 19.6 67.2 -14.2 42 46 A E H < S+ 0 0 86 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.906 109.1 47.6 -75.1 -41.2 22.5 65.5 -15.9 43 47 A E H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.831 119.4 40.8 -65.9 -34.3 20.8 62.1 -15.8 44 48 A I >X - 0 0 6 -4,-2.0 4,-1.7 1,-0.1 3,-0.9 -0.813 63.8-170.8-124.9 94.7 17.5 63.5 -17.1 45 49 A P H 3> S+ 0 0 87 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.838 88.8 56.1 -46.8 -44.8 17.8 66.1 -20.0 46 50 A D H 3> S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.887 105.5 52.4 -58.9 -39.3 14.1 67.0 -19.8 47 51 A L H <> S+ 0 0 0 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.911 106.2 53.8 -61.9 -42.5 14.5 67.9 -16.1 48 52 A K H X S+ 0 0 95 -4,-1.7 4,-1.9 -7,-0.5 -1,-0.2 0.878 105.7 53.8 -59.6 -38.7 17.4 70.1 -17.1 49 53 A L H X S+ 0 0 103 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.878 111.1 45.0 -63.7 -39.3 15.1 71.9 -19.6 50 54 A A H < S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.781 110.9 54.8 -75.8 -28.3 12.6 72.6 -16.9 51 55 A M H < S+ 0 0 17 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.877 96.9 62.6 -73.8 -39.3 15.2 73.7 -14.4 52 56 A E H >< S+ 0 0 128 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.2 0.947 81.4 94.2 -47.7 -57.2 16.8 76.4 -16.6 53 57 A N T 3< S- 0 0 97 -4,-0.9 -1,-0.0 1,-0.3 3,-0.0 -0.114 107.2 -16.7 -42.4 103.9 13.6 78.4 -16.7 54 58 A Y T 3 S+ 0 0 221 1,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.724 93.0 118.7 76.5 19.8 13.7 81.0 -14.0 55 59 A V < + 0 0 51 -3,-2.0 2,-1.7 -4,-0.2 -1,-0.1 -0.522 31.3 165.3-117.2 71.7 16.5 79.8 -11.7 56 60 A L S S- 0 0 141 -2,-0.4 -1,-0.0 1,-0.2 -4,-0.0 -0.456 70.5 -81.5 -83.8 63.7 18.7 82.9 -12.1 57 61 A I S S+ 0 0 119 -2,-1.7 2,-4.2 1,-0.2 -1,-0.2 0.437 84.8 145.2 56.7 -2.9 21.1 82.3 -9.2 58 62 A D + 0 0 120 -4,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.116 37.1 107.4 -62.6 50.1 18.4 83.9 -6.9 59 63 A Y - 0 0 85 -2,-4.2 2,-0.6 -4,-0.1 8,-0.1 -0.989 51.0-163.1-138.5 131.0 19.4 81.5 -4.1 60 64 A D > - 0 0 72 -2,-0.4 3,-2.8 3,-0.2 7,-0.3 -0.944 15.7-149.0-111.8 114.8 21.2 82.1 -0.8 61 65 A T T 3 S+ 0 0 36 -2,-0.6 -41,-0.2 1,-0.3 -1,-0.1 0.660 100.9 56.8 -55.2 -14.4 22.4 79.0 0.9 62 66 A K T 3 S+ 0 0 176 -43,-0.1 2,-0.5 -32,-0.0 -1,-0.3 0.489 91.0 82.0 -97.2 -5.2 21.8 80.9 4.1 63 67 A S <> - 0 0 31 -3,-2.8 4,-2.3 1,-0.2 5,-0.2 -0.896 61.0-158.4-106.1 123.6 18.1 81.6 3.5 64 68 A F H > S+ 0 0 46 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.943 96.1 47.8 -62.3 -49.7 15.6 78.9 4.4 65 69 A E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 112.0 51.1 -59.0 -40.6 12.9 80.4 2.1 66 70 A S H > S+ 0 0 8 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.911 112.3 44.4 -64.5 -43.9 15.4 80.7 -0.7 67 71 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 -7,-0.3 -1,-0.2 0.854 111.4 55.4 -68.6 -33.6 16.6 77.1 -0.4 68 72 A Q H X S+ 0 0 97 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.808 104.0 53.8 -68.0 -30.6 13.0 76.0 -0.1 69 73 A R H X S+ 0 0 120 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.833 109.2 49.8 -71.1 -33.8 12.2 77.7 -3.4 70 74 A L H X S+ 0 0 16 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.946 113.0 44.4 -69.6 -49.1 15.1 75.7 -5.0 71 75 A C H X S+ 0 0 3 -4,-2.4 4,-3.3 1,-0.2 -65,-0.2 0.894 114.5 48.8 -63.5 -41.3 13.9 72.4 -3.7 72 76 A D H X S+ 0 0 77 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.905 110.3 51.5 -67.6 -39.1 10.3 73.0 -4.6 73 77 A K H X S+ 0 0 41 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.906 114.0 44.1 -63.6 -39.3 11.2 74.1 -8.1 74 78 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.932 113.0 51.8 -69.5 -45.8 13.2 70.9 -8.5 75 79 A N H X S+ 0 0 14 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.832 108.7 49.8 -61.9 -31.9 10.5 68.8 -7.0 76 80 A R H X S+ 0 0 126 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.846 109.4 52.3 -74.5 -31.4 7.8 70.3 -9.3 77 81 A A H X S+ 0 0 7 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.889 107.3 53.0 -68.6 -37.6 10.1 69.5 -12.3 78 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.904 107.4 51.6 -63.3 -41.8 10.4 65.9 -11.0 79 83 A D H X S+ 0 0 70 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.935 110.2 47.8 -62.3 -44.1 6.6 65.7 -10.9 80 84 A S H X S+ 0 0 57 -4,-2.0 4,-3.0 1,-0.2 3,-0.5 0.943 111.1 50.3 -62.5 -46.6 6.2 66.9 -14.5 81 85 A I H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.888 109.3 52.8 -57.8 -38.8 8.9 64.5 -15.8 82 86 A H H < S+ 0 0 49 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.808 110.5 46.7 -67.7 -28.0 7.1 61.7 -14.0 83 87 A Q H >X S+ 0 0 121 -4,-1.5 3,-2.0 -3,-0.5 4,-0.7 0.902 108.5 55.8 -75.8 -42.6 3.9 62.7 -15.8 84 88 A L H >< S+ 0 0 65 -4,-3.0 3,-0.7 1,-0.3 5,-0.4 0.821 103.8 54.3 -57.2 -34.7 5.8 62.8 -19.0 85 89 A W T 3< S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.493 101.1 60.8 -79.5 -4.1 6.9 59.2 -18.4 86 90 A K T <4 S+ 0 0 150 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.623 105.2 53.0 -93.4 -17.8 3.3 58.3 -18.1 87 91 A G S << S- 0 0 56 -4,-0.7 -3,-0.1 -3,-0.7 -2,-0.1 0.526 124.5 -62.5 -84.7-126.2 2.6 59.5 -21.6 88 92 A T S S+ 0 0 135 -4,-0.1 -3,-0.1 2,-0.1 -4,-0.1 0.813 98.1 107.8 -96.6 -35.7 4.6 58.2 -24.5 89 93 A T S S- 0 0 49 -5,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.023 76.0-112.1 -42.8 141.7 8.1 59.5 -23.5 90 94 A Q - 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