==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 22-FEB-08 2K17 . COMPND 2 MOLECULE: H3K4ME3 PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.VAN INGEN,F.M.A.VAN SCHAIK,H.WIENK,M.TIMMERS,R.BOELENS . 88 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 P A 0 0 0 0, 0.0 2,-0.8 0, 0.0 71,-0.2 0.000 360.0 360.0 360.0 90.0 12.4 5.5 3.2 2 2 P R E -A 49 0A 116 47,-1.1 47,-2.3 72,-0.1 2,-0.5 -0.740 360.0-176.2 -85.3 111.6 8.9 5.1 4.1 3 3 P T E +A 48 0A 36 -2,-0.8 2,-0.3 65,-0.3 45,-0.2 -0.955 14.3 145.8-114.3 127.9 7.3 2.8 1.6 4 4 P X E -A 47 0A 75 43,-1.8 43,-2.9 -2,-0.5 2,-0.5 -0.981 36.3-137.8-156.5 153.1 3.6 2.0 1.7 5 5 P Q E -A 46 0A 60 -2,-0.3 2,-2.2 41,-0.3 40,-0.1 -0.977 17.4-137.4-116.8 125.4 0.9 1.3 -0.7 6 6 P T + 0 0 58 39,-1.0 2,-0.4 -2,-0.5 3,-0.0 -0.538 55.9 145.9 -79.4 75.9 -2.5 2.9 -0.1 7 7 P A - 0 0 45 -2,-2.2 3,-0.2 1,-0.1 -2,-0.1 -0.935 50.4-173.4-127.0 140.5 -4.3 -0.3 -1.0 8 8 P R S S+ 0 0 254 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.407 97.8 30.5 -99.1 -6.0 -7.4 -2.0 0.1 9 9 P K S S+ 0 0 181 35,-0.1 -1,-0.3 -3,-0.0 2,-0.3 -0.905 73.9 161.8-152.3 119.3 -6.2 -4.9 -2.1 10 10 P S - 0 0 51 -2,-0.3 2,-0.8 -3,-0.2 34,-0.0 -0.976 37.7-123.5-137.9 149.8 -2.6 -5.6 -2.7 11 11 P T S S- 0 0 145 -2,-0.3 2,-1.6 1,-0.1 -2,-0.0 -0.854 89.4 -27.4 -97.9 104.6 -0.9 -8.8 -4.0 12 12 P G 0 0 91 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.0 -0.441 360.0 360.0 91.0 -63.6 1.7 -9.8 -1.5 13 13 P G 0 0 105 -2,-1.6 -1,-0.1 -4,-0.0 -3,-0.0 0.614 360.0 360.0 115.3 360.0 2.3 -6.4 -0.1 14 !* 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 15 850 A G 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 -9.5 29.9 4.8 16 851 A S + 0 0 123 2,-0.1 2,-1.1 1,-0.0 3,-0.4 0.652 360.0 106.5 -75.9 -15.5 -6.8 29.4 2.2 17 852 A H + 0 0 172 1,-0.2 -1,-0.0 2,-0.1 0, 0.0 -0.527 38.0 113.8 -69.7 99.1 -5.1 27.0 4.5 18 853 A M S S- 0 0 166 -2,-1.1 -1,-0.2 6,-0.0 2,-0.1 0.456 87.9 -55.0-126.1 -73.9 -5.8 23.7 2.8 19 854 A A - 0 0 51 -3,-0.4 2,-1.8 2,-0.1 4,-0.4 -0.431 40.2-168.3 179.0 89.0 -2.7 22.1 1.5 20 855 A M + 0 0 191 2,-0.1 2,-0.3 -2,-0.1 -3,-0.0 -0.662 69.8 70.0 -85.5 77.1 -0.4 24.0 -0.8 21 856 A A S S- 0 0 66 -2,-1.8 2,-2.0 2,-0.3 -2,-0.1 -0.917 108.9 -62.3-169.5-176.9 1.6 20.9 -1.6 22 857 A Y S S+ 0 0 95 -2,-0.3 12,-2.6 12,-0.1 2,-0.3 -0.470 98.3 99.3 -88.0 64.9 1.1 17.7 -3.5 23 858 A V E +C 33 0B 26 -2,-2.0 -2,-0.3 -4,-0.4 2,-0.3 -0.979 41.9 172.3-146.5 137.1 -1.7 16.5 -1.3 24 859 A I E -C 32 0B 92 8,-2.8 8,-3.6 -2,-0.3 2,-0.4 -0.877 26.9-121.0-135.7 170.3 -5.5 16.6 -1.8 25 860 A R E -C 31 0B 193 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.888 19.8-135.1-114.9 148.7 -8.4 15.1 0.1 26 861 A D - 0 0 45 4,-2.0 6,-0.0 -2,-0.4 -1,-0.0 -0.273 41.4 -86.1 -87.7-175.5 -11.0 12.7 -1.3 27 862 A E S S+ 0 0 165 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.782 131.2 48.1 -64.8 -28.0 -14.7 12.9 -0.7 28 863 A W S S- 0 0 205 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.836 122.8-105.2 -80.6 -34.2 -14.4 11.0 2.6 29 864 A G + 0 0 45 1,-0.3 2,-0.3 -5,-0.0 -2,-0.1 0.629 68.8 143.2 118.0 23.1 -11.5 13.2 3.7 30 865 A N - 0 0 90 1,-0.1 -4,-2.0 0, 0.0 2,-0.5 -0.645 55.5-107.9 -89.1 148.0 -8.5 11.0 3.3 31 866 A Q E -C 25 0B 115 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.656 30.4-165.3 -77.7 125.9 -5.3 12.5 2.2 32 867 A I E -C 24 0B 37 -8,-3.6 -8,-2.8 -2,-0.5 2,-0.3 -0.978 13.7-143.4-110.5 118.3 -4.4 11.6 -1.3 33 868 A W E -C 23 0B 50 -2,-0.6 9,-1.8 -10,-0.2 2,-0.5 -0.607 5.6-147.1 -85.6 142.6 -0.9 12.3 -2.1 34 869 A I B -D 41 0C 19 -12,-2.6 22,-0.3 -2,-0.3 -12,-0.1 -0.924 18.4-123.9-107.6 134.7 0.1 13.5 -5.5 35 870 A C > - 0 0 0 5,-3.1 4,-2.4 -2,-0.5 5,-0.5 -0.716 11.3-155.9 -79.7 119.3 3.5 12.6 -6.9 36 871 A P T 4 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 0.568 88.1 71.0 -69.3 -7.0 5.4 15.8 -7.8 37 872 A G T 4 S+ 0 0 47 3,-0.1 20,-0.1 1,-0.1 -2,-0.0 0.960 121.8 4.0 -73.4 -52.7 7.3 13.6 -10.2 38 873 A C T 4 S- 0 0 50 -3,-0.3 -1,-0.1 2,-0.2 19,-0.0 0.576 95.5-119.7-107.7 -19.7 4.6 13.0 -12.8 39 874 A N S < S+ 0 0 103 -4,-2.4 -5,-0.0 1,-0.3 0, 0.0 0.609 71.3 134.7 79.4 20.8 1.9 15.2 -11.2 40 875 A K - 0 0 128 -5,-0.5 -5,-3.1 1,-0.1 -1,-0.3 -0.776 54.1-123.1 -98.6 141.3 -0.3 12.1 -10.9 41 876 A P B -D 34 0C 59 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.238 40.0 -81.5 -72.8 168.6 -2.2 11.3 -7.7 42 877 A D - 0 0 16 -9,-1.8 -37,-0.0 1,-0.1 5,-0.0 -0.569 34.4-170.1 -72.7 133.7 -1.9 8.1 -5.8 43 878 A D S S- 0 0 137 -2,-0.3 -1,-0.1 -3,-0.1 -38,-0.0 0.283 72.1 -73.3-104.1 6.9 -3.9 5.2 -7.3 44 879 A G S S+ 0 0 17 1,-0.2 -35,-0.1 -37,-0.1 -39,-0.1 0.749 94.2 149.5 95.0 40.3 -3.3 3.1 -4.4 45 880 A S - 0 0 24 -40,-0.1 -39,-1.0 -41,-0.1 2,-0.5 -0.629 57.7 -90.9-108.0 155.3 0.2 2.6 -5.5 46 881 A P E -A 5 0A 37 0, 0.0 13,-1.3 0, 0.0 2,-0.3 -0.603 52.3-178.1 -67.9 120.1 3.5 2.0 -3.5 47 882 A M E -AB 4 58A 0 -43,-2.9 -43,-1.8 -2,-0.5 2,-0.4 -0.865 19.4-137.4-120.6 156.5 4.9 5.4 -2.8 48 883 A I E -AB 3 57A 0 9,-2.9 9,-2.3 -2,-0.3 2,-0.4 -0.937 11.1-147.0-118.1 135.3 8.1 6.4 -1.1 49 884 A G E -AB 2 56A 2 -47,-2.3 -47,-1.1 -2,-0.4 7,-0.2 -0.863 20.8-119.9-100.3 137.9 8.4 9.1 1.3 50 885 A C - 0 0 3 5,-1.9 25,-0.2 -2,-0.4 4,-0.1 -0.390 11.4-133.9 -71.2 152.2 11.5 11.1 1.6 51 886 A D S S+ 0 0 53 23,-2.4 24,-0.1 2,-0.1 -1,-0.1 0.438 100.7 33.0 -85.9 -3.2 13.4 11.2 4.8 52 887 A D S S+ 0 0 81 22,-0.2 23,-0.1 3,-0.1 -1,-0.0 0.728 131.0 21.8-114.9 -62.7 13.8 15.0 4.7 53 888 A C S S- 0 0 47 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.690 88.6-137.6 -81.7 -18.6 10.8 16.7 3.0 54 889 A D + 0 0 87 1,-0.2 2,-0.1 -4,-0.1 -3,-0.1 0.777 48.3 156.0 63.1 29.5 8.5 13.8 3.7 55 890 A D - 0 0 29 1,-0.0 -5,-1.9 -22,-0.0 2,-0.6 -0.484 40.4-125.9 -81.9 160.6 7.1 14.2 0.2 56 891 A W E +B 49 0A 18 -22,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.915 31.9 170.3-121.0 110.1 5.5 11.3 -1.5 57 892 A Y E -B 48 0A 21 -9,-2.3 -9,-2.9 -2,-0.6 2,-0.2 -0.779 34.7-109.5-110.9 156.4 6.6 10.1 -4.9 58 893 A H E >> -B 47 0A 12 -2,-0.3 4,-0.7 -11,-0.2 3,-0.5 -0.491 29.8-116.8 -78.4 158.1 5.8 7.0 -6.8 59 894 A W H >>>S+ 0 0 37 -13,-1.3 5,-2.5 1,-0.2 4,-2.4 0.955 112.5 46.5 -61.8 -54.5 8.4 4.4 -7.2 60 895 A P H 345S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.561 108.8 61.0 -68.3 -5.5 8.7 4.5 -11.1 61 896 A C H <45S+ 0 0 49 -3,-0.5 -2,-0.2 1,-0.1 0, 0.0 0.653 117.2 24.5 -93.3 -20.0 8.9 8.3 -10.8 62 897 A V H <<5S- 0 0 35 -3,-1.6 -3,-0.1 -4,-0.7 -1,-0.1 0.571 117.0 -93.7-118.8 -17.1 12.0 8.3 -8.7 63 898 A G T <5S+ 0 0 68 -4,-2.4 2,-0.4 1,-0.4 -4,-0.1 0.717 77.3 134.5 107.6 27.2 13.8 5.1 -9.5 64 899 A I < + 0 0 22 -5,-2.5 -1,-0.4 -6,-0.2 -2,-0.2 -0.862 15.8 160.8-105.2 140.9 12.5 2.8 -6.8 65 900 A M + 0 0 180 1,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.477 68.2 37.0-131.5 -21.3 11.3 -0.7 -7.8 66 901 A A S S- 0 0 66 -7,-0.1 -1,-0.5 0, 0.0 0, 0.0 -0.979 91.4-101.3-135.3 146.3 11.5 -2.5 -4.5 67 902 A A - 0 0 60 -2,-0.3 -65,-0.0 -3,-0.1 -19,-0.0 -0.530 30.9-155.3 -74.8 120.9 10.6 -1.2 -1.0 68 903 A P - 0 0 23 0, 0.0 -65,-0.3 0, 0.0 2,-0.1 -0.583 30.0 -98.9 -83.8 159.5 13.6 -0.3 1.2 69 904 A P > - 0 0 66 0, 0.0 3,-0.8 0, 0.0 -67,-0.0 -0.319 22.5-117.3 -75.3 162.9 13.1 -0.3 5.0 70 905 A E T 3 S+ 0 0 116 1,-0.2 -68,-0.1 -67,-0.1 4,-0.1 0.701 113.9 69.0 -72.6 -17.4 12.4 2.8 7.0 71 906 A E T 3 S+ 0 0 180 -70,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.812 92.2 67.6 -67.0 -33.1 15.6 2.0 8.7 72 907 A M S < S- 0 0 121 -3,-0.8 2,-0.2 -71,-0.2 0, 0.0 -0.750 86.8-132.8 -91.8 136.0 17.4 3.0 5.5 73 908 A Q - 0 0 121 -2,-0.4 2,-0.3 -72,-0.0 -2,-0.1 -0.570 22.9-176.8 -90.5 154.0 17.2 6.5 4.6 74 909 A W - 0 0 46 -2,-0.2 -23,-2.4 -25,-0.1 2,-0.4 -0.988 7.6-163.4-150.3 141.4 16.3 7.8 1.2 75 910 A F - 0 0 58 -2,-0.3 -25,-0.0 -25,-0.2 -26,-0.0 -0.987 20.7-124.0-132.6 137.0 16.1 11.3 -0.2 76 911 A C > - 0 0 0 -2,-0.4 4,-3.5 1,-0.1 5,-0.4 -0.169 39.1 -91.9 -72.2 168.8 14.4 12.4 -3.3 77 912 A P T 4 S+ 0 0 87 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.665 128.4 56.4 -54.7 -16.9 16.1 14.2 -6.3 78 913 A K T > S+ 0 0 82 2,-0.1 4,-0.9 3,-0.1 3,-0.3 0.964 118.5 26.1 -75.1 -59.2 14.9 17.4 -4.4 79 914 A C H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.862 116.4 57.7 -80.0 -37.4 16.6 16.7 -1.1 80 915 A A H X S+ 0 0 15 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.718 102.6 59.4 -69.7 -15.5 19.5 14.5 -2.2 81 916 A N H 4 S+ 0 0 127 -5,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.904 105.0 45.5 -79.9 -42.6 20.7 17.3 -4.5 82 917 A K H < S+ 0 0 136 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.850 115.2 49.4 -68.4 -33.4 21.1 19.9 -1.7 83 918 A I H >< S- 0 0 79 -4,-1.8 2,-1.4 1,-0.1 3,-0.5 0.876 90.2-170.8 -65.2 -43.9 22.8 17.2 0.3 84 919 A K T 3< - 0 0 130 -4,-1.6 -1,-0.1 1,-0.2 -2,-0.1 -0.238 32.5-120.8 82.3 -40.3 24.9 16.7 -2.9 85 920 A K T 3 - 0 0 151 -2,-1.4 -1,-0.2 -3,-0.1 -2,-0.1 0.990 40.7-148.9 62.6 65.0 26.5 13.5 -1.5 86 921 A D < - 0 0 73 -3,-0.5 -1,-0.0 2,-0.1 -2,-0.0 -0.179 18.8-113.1 -65.8 161.4 29.9 15.0 -1.9 87 922 A K S S+ 0 0 183 2,-0.0 2,-0.2 -3,-0.0 -1,-0.1 0.864 94.0 89.9 -64.4 -37.8 33.0 13.0 -2.6 88 923 A K 0 0 171 1,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.429 360.0 360.0 -68.1 126.4 34.4 13.7 0.8 89 924 A H 0 0 245 -2,-0.2 -2,-0.0 -4,-0.1 -1,-0.0 -0.917 360.0 360.0-140.2 360.0 33.4 11.1 3.3