==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 07-APR-10 3MGQ . COMPND 2 MOLECULE: HISTONE H3.2; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR K.MOHIDEEN,R.MUHAMMAD,C.A.DAVEY . 774 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 24 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 2 2 0 0 1 8 5 2 1 0 1 0 0 0 2 0 0 0 0 0 0 1 3 4 0 0 RESIDUES PER ALPHA HELIX . 0 8 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 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 10 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 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 37 A K 0 0 258 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.0 -61.3 -28.5 83.2 2 38 A P - 0 0 117 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.813 360.0-133.4 -97.7 158.3 -59.0 -27.1 80.5 3 39 A H + 0 0 151 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.921 31.2 171.9-111.5 107.9 -57.0 -29.3 78.1 4 40 A R - 0 0 190 -2,-0.6 2,-0.3 3,-0.0 0, 0.0 -0.953 23.2-144.2-114.1 130.7 -53.4 -28.2 77.8 5 41 A Y - 0 0 119 -2,-0.4 3,-0.1 1,-0.1 5,-0.0 -0.647 35.2-100.0 -81.8 148.5 -50.6 -30.1 75.9 6 42 A R >> - 0 0 160 -2,-0.3 3,-1.8 1,-0.1 4,-0.6 -0.320 50.6 -86.7 -63.6 149.1 -47.1 -29.9 77.5 7 43 A P T 34 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.406 116.2 28.1 -60.7 133.1 -44.7 -27.4 75.9 8 44 A G T 3> S+ 0 0 19 113,-0.1 4,-2.9 -2,-0.1 5,-0.2 0.022 96.7 90.1 105.0 -24.0 -42.9 -29.0 72.9 9 45 A T H <> S+ 0 0 55 -3,-1.8 4,-1.8 2,-0.2 5,-0.1 0.920 93.2 40.4 -73.4 -44.4 -45.7 -31.4 72.0 10 46 A V H X S+ 0 0 60 -4,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.878 114.3 56.5 -67.3 -38.9 -47.4 -29.1 69.7 11 47 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.967 108.6 44.8 -54.0 -58.5 -44.0 -28.0 68.4 12 48 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.877 112.4 53.4 -52.0 -42.6 -43.1 -31.6 67.5 13 49 A R H X S+ 0 0 110 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.873 108.7 48.9 -61.8 -41.9 -46.5 -32.1 65.9 14 50 A E H X S+ 0 0 48 -4,-2.5 4,-3.4 -3,-0.3 5,-0.3 0.895 107.8 54.1 -65.9 -43.1 -46.0 -29.0 63.8 15 51 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.957 109.6 47.8 -55.4 -51.1 -42.5 -30.2 62.7 16 52 A R H X S+ 0 0 123 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.874 114.4 48.3 -58.9 -38.7 -44.0 -33.5 61.5 17 53 A R H >X S+ 0 0 143 -4,-1.8 3,-0.9 1,-0.2 4,-0.8 0.969 114.4 42.2 -65.2 -54.9 -46.7 -31.6 59.7 18 54 A Y H 3< S+ 0 0 20 -4,-3.4 652,-0.2 1,-0.3 -2,-0.2 0.738 111.2 54.7 -72.9 -22.0 -44.5 -29.1 57.9 19 55 A Q H 3< S+ 0 0 7 -4,-2.4 651,-0.3 -5,-0.3 -1,-0.3 0.687 105.2 55.8 -80.2 -16.0 -41.8 -31.6 56.9 20 56 A K H << S+ 0 0 162 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.722 107.2 55.2 -87.5 -21.0 -44.5 -33.8 55.3 21 57 A S < - 0 0 32 -4,-0.8 649,-0.5 -3,-0.1 647,-0.0 -0.485 58.8-154.1-111.2 177.1 -45.7 -31.0 53.0 22 58 A T + 0 0 29 -2,-0.2 647,-0.3 647,-0.1 645,-0.1 0.237 47.6 129.4-133.8 5.9 -44.4 -28.6 50.4 23 59 A E - 0 0 77 1,-0.1 -2,-0.1 645,-0.1 2,-0.0 -0.340 69.3 -97.9 -66.6 149.6 -46.8 -25.6 50.4 24 60 A L - 0 0 38 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.359 29.6-154.4 -66.2 151.9 -45.2 -22.2 50.8 25 61 A L + 0 0 5 -3,-0.1 2,-0.3 2,-0.1 88,-0.2 0.587 69.3 74.5-114.4 -14.8 -45.2 -21.0 54.4 26 62 A I S S- 0 0 8 87,-0.1 2,-0.3 80,-0.1 80,-0.1 -0.761 92.5-104.7 -90.7 149.2 -45.1 -17.2 54.0 27 63 A R > - 0 0 149 -2,-0.3 4,-1.6 78,-0.3 5,-0.2 -0.603 27.9-125.0 -80.7 134.3 -48.4 -15.5 52.8 28 64 A K H > S+ 0 0 128 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.816 99.2 47.7 -50.0 -49.0 -48.3 -14.5 49.2 29 65 A L H > S+ 0 0 106 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.908 108.9 49.4 -70.1 -46.2 -49.2 -10.7 49.4 30 66 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.904 113.7 49.9 -56.9 -39.4 -46.8 -9.6 52.2 31 67 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.969 109.9 50.0 -62.7 -50.3 -44.0 -11.3 50.4 32 68 A Q H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.926 109.4 51.2 -53.9 -50.7 -45.0 -9.6 47.1 33 69 A R H X S+ 0 0 101 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.933 111.2 48.0 -48.3 -53.0 -45.1 -6.2 48.9 34 70 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 68,-0.3 5,-0.2 0.873 109.9 51.8 -59.3 -42.4 -41.6 -6.7 50.3 35 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.944 114.3 43.3 -59.7 -47.9 -40.2 -7.9 46.9 36 72 A R H X S+ 0 0 82 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.884 112.6 53.3 -65.8 -39.2 -41.6 -4.7 45.3 37 73 A E H X S+ 0 0 72 -4,-3.0 4,-0.6 -5,-0.3 -2,-0.2 0.934 112.6 43.2 -61.5 -46.4 -40.4 -2.5 48.1 38 74 A I H >< S+ 0 0 4 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.876 113.6 51.5 -68.9 -39.3 -36.8 -3.8 47.9 39 75 A A H >X S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.2 4,-1.6 0.828 95.2 71.3 -64.6 -34.7 -36.8 -3.7 44.1 40 76 A Q H 3< S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 91.1 59.5 -55.9 -30.9 -38.0 -0.0 44.1 41 77 A D T << S+ 0 0 128 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.528 109.9 42.9 -75.4 -7.7 -34.6 1.1 45.4 42 78 A F T <4 S- 0 0 63 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.681 134.0 -5.0-105.6 -25.6 -32.9 -0.4 42.3 43 79 A K S < S- 0 0 60 -4,-1.6 -1,-0.4 3,-0.0 3,-0.2 -0.874 70.7-124.1-171.9 136.4 -35.4 0.9 39.8 44 80 A T S S+ 0 0 101 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.443 82.8 18.2 -91.9 156.7 -38.7 2.7 39.9 45 81 A D S S+ 0 0 135 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.966 82.1 169.6 48.1 67.0 -42.1 1.7 38.4 46 82 A L - 0 0 18 -3,-0.2 2,-0.3 -10,-0.1 111,-0.2 -0.854 22.0-157.4-108.7 144.7 -41.3 -2.0 38.1 47 83 A R E -a 157 0A 175 109,-2.5 111,-3.3 -2,-0.4 2,-0.4 -0.816 7.4-147.9-115.3 161.3 -43.7 -4.8 37.2 48 84 A F E -a 158 0A 20 -2,-0.3 111,-0.2 109,-0.3 5,-0.1 -0.989 17.2-124.0-134.4 125.1 -43.2 -8.5 38.0 49 85 A Q >> - 0 0 86 109,-2.7 4,-1.2 -2,-0.4 3,-0.9 -0.443 33.4-121.9 -58.6 142.5 -44.4 -11.6 36.1 50 86 A S H 3> S+ 0 0 84 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.835 114.2 54.1 -62.7 -32.7 -46.4 -13.5 38.7 51 87 A S H 3> S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.773 100.4 62.1 -69.7 -26.3 -44.0 -16.5 38.2 52 88 A A H <> S+ 0 0 0 -3,-0.9 4,-1.7 106,-0.2 -2,-0.2 0.861 107.4 42.5 -65.8 -37.5 -41.0 -14.2 38.9 53 89 A V H X S+ 0 0 4 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.924 112.1 54.5 -71.6 -45.9 -42.4 -13.6 42.4 54 90 A M H >X S+ 0 0 51 -4,-2.1 4,-2.6 2,-0.2 3,-0.6 0.947 107.6 50.9 -48.6 -52.0 -43.3 -17.3 42.8 55 91 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 5,-0.3 0.953 109.2 50.4 -52.8 -53.9 -39.6 -18.1 42.0 56 92 A L H 3X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.788 110.6 49.7 -54.9 -31.3 -38.4 -15.6 44.6 57 93 A Q H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-1.3 0.968 112.5 50.6 -59.7 -50.7 -27.9 -24.6 69.1 76 112 A I H ><5S+ 0 0 43 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.877 104.0 57.7 -59.1 -39.6 -27.6 -28.3 69.7 77 113 A H H 3<5S+ 0 0 24 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.802 105.3 51.7 -59.4 -30.7 -23.8 -28.0 69.6 78 114 A A T <<5S- 0 0 22 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.199 124.0-109.2 -89.9 15.0 -24.1 -25.5 72.5 79 115 A K T < 5S+ 0 0 202 -3,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.727 81.8 122.2 65.2 22.9 -26.3 -28.1 74.4 80 116 A R < - 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0 0 36 -2,-1.4 4,-2.4 1,-0.1 3,-0.6 -0.359 25.7-109.5 -84.3 155.3 -45.1 -12.5 60.5 108 31 B K H 3> S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 119.3 52.0 -46.3 -46.9 -43.9 -14.4 63.6 109 32 B P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.874 109.7 49.9 -63.0 -32.8 -46.3 -17.4 62.7 110 33 B A H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.948 112.2 46.6 -63.5 -50.5 -44.8 -17.5 59.2 111 34 B I H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.895 111.6 52.9 -58.3 -40.0 -41.2 -17.5 60.5 112 35 B R H X S+ 0 0 65 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.903 107.1 51.4 -65.8 -38.6 -42.2 -20.1 63.0 113 36 B R H X S+ 0 0 57 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.920 110.0 49.2 -63.2 -45.2 -43.7 -22.4 60.3 114 37 B L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.943 110.4 50.5 -58.6 -52.0 -40.4 -22.2 58.2 115 38 B A H <>S+ 0 0 1 -4,-2.5 5,-2.7 1,-0.2 -1,-0.2 0.902 109.2 51.9 -51.8 -44.9 -38.4 -23.0 61.3 116 39 B R H ><5S+ 0 0 11 -4,-2.3 3,-2.4 3,-0.2 -1,-0.2 0.932 106.1 53.0 -60.9 -43.2 -40.6 -26.0 62.0 117 40 B R H 3<5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 108.4 52.8 -60.4 -30.1 -40.1 -27.2 58.4 118 41 B G T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.272 127.1-103.7 -86.5 10.9 -36.4 -26.9 59.2 119 42 B G T < 5 + 0 0 4 -3,-2.4 2,-0.4 1,-0.2 556,-0.3 0.686 64.9 158.0 81.1 20.8 -36.9 -29.1 62.3 120 43 B V < - 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