==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 12-MAR-12 4E44 . COMPND 2 MOLECULE: CENTROMERE PROTEIN S; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.FOX III,Y.ZHAO,W.YANG,W.WEIDONG . 351 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 81.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.1 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 . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 0 2 0 1 0 0 2 1 0 0 0 0 0 0 0 0 1 0 0 0 4 0 1 RESIDUES PER ALPHA HELIX . 1 3 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 . 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 . 3 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 -1 A G 0 0 123 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.8 -31.0 -12.0 50.1 2 0 A S > - 0 0 37 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.060 360.0-112.7 -72.1 167.0 -30.4 -14.7 47.5 3 1 A M H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.876 118.4 51.8 -65.1 -35.4 -27.3 -15.6 45.5 4 2 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 108.8 50.4 -73.7 -34.1 -29.0 -14.5 42.3 5 3 A E H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 111.8 48.4 -67.6 -41.4 -29.9 -11.2 43.8 6 4 A E H X S+ 0 0 117 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 110.2 51.2 -61.2 -45.3 -26.3 -10.7 45.0 7 5 A A H X S+ 0 0 49 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.935 109.6 50.9 -59.3 -44.6 -24.9 -11.6 41.5 8 6 A E H X S+ 0 0 148 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.932 110.8 48.1 -59.1 -45.4 -27.3 -9.1 39.9 9 7 A T H X S+ 0 0 75 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.904 111.6 49.6 -64.7 -41.1 -26.1 -6.3 42.3 10 8 A E H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.893 111.0 49.7 -62.6 -41.6 -22.4 -7.1 41.7 11 9 A E H X S+ 0 0 101 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.930 109.2 52.2 -63.9 -45.6 -23.0 -7.0 37.9 12 10 A Q H X S+ 0 0 113 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.910 110.2 48.9 -54.1 -43.5 -24.7 -3.7 38.2 13 11 A Q H X S+ 0 0 117 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.900 113.0 46.3 -65.2 -42.2 -21.6 -2.4 40.2 14 12 A R H X S+ 0 0 141 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 114.0 49.9 -63.9 -46.0 -19.2 -3.7 37.5 15 13 A F H X S+ 0 0 105 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.932 111.2 46.4 -58.8 -51.3 -21.3 -2.2 34.8 16 14 A S H X S+ 0 0 30 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.824 111.3 52.8 -66.8 -30.5 -21.6 1.3 36.3 17 15 A Y H X S+ 0 0 67 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.925 110.4 47.4 -67.0 -43.8 -17.9 1.4 37.1 18 16 A Q H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.895 111.7 51.5 -61.4 -43.6 -17.1 0.6 33.4 19 17 A Q H X S+ 0 0 87 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.858 108.8 49.9 -61.1 -41.5 -19.6 3.2 32.3 20 18 A R H X S+ 0 0 147 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.864 111.0 50.4 -66.2 -34.3 -17.9 5.8 34.6 21 19 A L H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 110.5 48.8 -68.2 -44.4 -14.5 4.9 33.1 22 20 A K H X S+ 0 0 75 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 110.3 52.4 -60.2 -40.9 -16.0 5.2 29.6 23 21 A A H X S+ 0 0 60 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 108.7 49.3 -59.4 -51.6 -17.4 8.7 30.6 24 22 A A H X S+ 0 0 37 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.846 112.0 48.5 -59.6 -38.1 -14.1 9.9 31.9 25 23 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.914 110.7 51.8 -65.4 -41.5 -12.3 8.8 28.7 26 24 A H H X S+ 0 0 79 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.880 105.9 55.5 -61.8 -41.6 -15.1 10.5 26.6 27 25 A Y H X S+ 0 0 168 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.978 112.4 40.0 -53.0 -60.4 -14.5 13.7 28.5 28 26 A T H X S+ 0 0 14 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.866 113.3 54.8 -61.9 -37.8 -10.8 13.9 27.7 29 27 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.934 107.4 51.2 -62.1 -44.5 -11.3 12.7 24.2 30 28 A G H X S+ 0 0 22 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.900 110.0 50.4 -55.9 -43.6 -13.8 15.6 23.7 31 29 A C H X S+ 0 0 35 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.895 112.4 45.2 -62.4 -43.7 -11.2 18.0 25.1 32 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.873 113.2 50.5 -67.9 -35.9 -8.5 16.8 22.7 33 31 A C H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.816 106.5 55.2 -75.2 -29.9 -10.9 16.9 19.7 34 32 A E H X S+ 0 0 109 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.889 108.4 48.3 -67.5 -39.6 -11.9 20.4 20.6 35 33 A E H X S+ 0 0 72 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.883 113.0 48.4 -67.1 -39.4 -8.2 21.5 20.4 36 34 A V H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.951 109.8 52.2 -63.3 -45.7 -7.8 19.7 17.1 37 35 A A H X>S+ 0 0 15 -4,-2.7 5,-1.4 1,-0.2 4,-1.1 0.867 113.1 43.7 -58.0 -47.1 -11.0 21.3 15.7 38 36 A L H <5S+ 0 0 125 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.876 115.0 48.8 -64.8 -41.2 -9.8 24.8 16.6 39 37 A D H <5S+ 0 0 119 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 123.4 31.4 -68.2 -38.9 -6.3 24.3 15.4 40 38 A K H <5S- 0 0 61 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.484 100.2-129.9 -98.8 -6.4 -7.4 22.8 12.0 41 39 A E T <5 + 0 0 182 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.950 67.0 125.8 50.0 54.4 -10.6 24.8 11.7 42 40 A M < - 0 0 19 -5,-1.4 -1,-0.2 -6,-0.1 2,-0.2 -0.972 55.7-132.1-142.3 127.9 -12.6 21.6 11.0 43 41 A Q E -a 261 0A 104 217,-0.6 219,-2.7 -2,-0.3 2,-0.4 -0.526 12.4-146.8 -81.2 144.2 -15.7 20.6 12.9 44 42 A F E -a 262 0A 20 217,-0.2 219,-0.2 -2,-0.2 203,-0.0 -0.912 17.7-123.5-106.2 136.0 -16.3 17.1 14.4 45 43 A S > - 0 0 3 217,-2.2 4,-1.5 -2,-0.4 5,-0.1 -0.277 23.4-117.3 -64.5 160.5 -19.7 15.5 14.7 46 44 A K H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.882 118.4 55.1 -64.6 -37.7 -20.8 14.4 18.2 47 45 A Q H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.824 104.4 53.3 -64.0 -35.3 -20.9 10.8 16.7 48 46 A T H > S+ 0 0 0 214,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.896 108.9 48.3 -66.5 -41.5 -17.3 11.1 15.6 49 47 A I H X S+ 0 0 32 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.897 111.9 49.5 -67.3 -42.2 -16.1 12.1 19.1 50 48 A A H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.892 110.6 51.1 -59.7 -42.0 -18.1 9.2 20.6 51 49 A A H X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.873 110.8 47.6 -66.5 -37.2 -16.6 6.8 18.1 52 50 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.899 111.4 51.3 -69.0 -39.5 -13.1 8.0 18.9 53 51 A S H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.921 110.7 47.1 -64.3 -42.5 -13.8 7.7 22.7 54 52 A E H X S+ 0 0 65 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.841 113.0 51.0 -66.6 -35.5 -15.0 4.0 22.3 55 53 A L H X S+ 0 0 30 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.880 109.5 49.1 -67.3 -39.6 -11.9 3.3 20.1 56 54 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.872 109.9 51.8 -69.5 -38.1 -9.6 4.8 22.8 57 55 A F H X S+ 0 0 16 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.944 113.5 44.4 -61.4 -47.9 -11.3 2.7 25.5 58 56 A R H >X S+ 0 0 44 -4,-2.0 4,-1.4 1,-0.2 3,-0.7 0.853 107.5 58.4 -63.3 -40.0 -10.8 -0.5 23.4 59 57 A Q H 3X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.896 98.9 59.8 -63.5 -37.3 -7.2 0.4 22.5 60 58 A C H 3X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.843 100.3 56.8 -53.1 -38.1 -6.4 0.5 26.3 61 59 A E H <>S+ 0 0 1 -4,-2.6 5,-1.9 1,-0.2 3,-0.7 0.960 113.3 47.0 -58.0 -51.7 6.7 -7.9 31.3 72 70 A R H ><5S+ 0 0 62 -4,-2.4 3,-2.0 3,-0.3 -1,-0.2 0.800 104.0 62.6 -61.8 -31.4 6.0 -11.6 32.0 73 71 A H H 3<5S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.873 108.4 42.7 -62.2 -36.8 8.1 -12.6 28.9 74 72 A A T <<5S- 0 0 23 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.122 124.5-108.6 -91.2 14.7 11.0 -11.0 30.7 75 73 A K T < 5S+ 0 0 201 -3,-2.0 2,-0.4 1,-0.2 -3,-0.3 0.865 77.0 130.7 55.5 43.6 9.9 -12.6 34.0 76 74 A R < - 0 0 63 -5,-1.9 -1,-0.2 -8,-0.2 -2,-0.1 -0.952 48.2-165.7-122.0 143.3 8.8 -9.3 35.6 77 75 A T S S+ 0 0 92 -2,-0.4 149,-2.8 -3,-0.1 2,-0.6 0.473 79.1 77.3 -98.8 -7.0 5.5 -8.6 37.3 78 76 A T E S-b 226 0B 64 147,-0.2 2,-0.2 -7,-0.1 149,-0.2 -0.907 80.0-137.3-110.0 116.6 6.3 -4.8 37.0 79 77 A I E -b 227 0B 0 147,-3.0 149,-2.8 -2,-0.6 152,-0.3 -0.538 30.0-174.9 -71.2 131.7 5.7 -3.2 33.6 80 78 A N >> - 0 0 44 -2,-0.2 4,-1.5 147,-0.2 3,-1.1 -0.676 41.6 -87.8-124.7-179.7 8.6 -0.9 32.6 81 79 A T H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.734 122.0 60.5 -65.9 -23.8 9.5 1.6 29.9 82 80 A E H 3> S+ 0 0 102 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.793 103.9 50.5 -71.5 -30.5 11.1 -1.1 27.8 83 81 A D H <> S+ 0 0 0 -3,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.891 110.8 49.5 -69.9 -38.7 7.7 -2.9 27.6 84 82 A V H >X S+ 0 0 1 -4,-1.5 3,-0.9 1,-0.2 4,-0.7 0.899 107.4 53.7 -68.9 -43.2 6.1 0.4 26.5 85 83 A K H >< S+ 0 0 42 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.841 102.2 59.9 -56.0 -34.3 8.8 0.8 23.8 86 84 A L H >< S+ 0 0 15 -4,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.795 96.1 61.7 -65.2 -29.0 8.0 -2.6 22.5 87 85 A L H << S+ 0 0 9 -3,-0.9 3,-0.3 -4,-0.8 -1,-0.2 0.827 107.7 44.0 -62.2 -32.4 4.3 -1.5 21.9 88 86 A A T X< S+ 0 0 1 -4,-0.7 3,-0.6 -3,-0.7 7,-0.5 0.111 79.7 113.0 -98.9 18.0 5.6 1.1 19.4 89 87 A R T < S+ 0 0 31 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.752 70.7 55.6 -71.1 -28.1 8.1 -1.2 17.6 90 88 A R T 3 S+ 0 0 87 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.2 0.788 102.5 60.5 -72.5 -30.6 6.3 -1.3 14.2 91 89 A S <> - 0 0 22 -3,-0.6 4,-2.9 186,-0.3 5,-0.2 -0.879 60.1-168.8-105.8 109.4 6.3 2.5 13.8 92 90 A N H > S+ 0 0 84 -2,-0.7 4,-1.9 2,-0.2 5,-0.2 0.887 92.7 56.5 -59.0 -40.3 9.8 4.2 13.7 93 91 A S H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.977 111.9 39.0 -49.6 -64.0 7.9 7.5 14.0 94 92 A L H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.894 112.7 56.9 -60.1 -43.8 6.1 6.5 17.2 95 93 A L H X S+ 0 0 52 -4,-2.9 4,-2.6 -7,-0.5 -1,-0.2 0.846 107.1 48.6 -57.9 -37.2 9.1 4.7 18.7 96 94 A K H X S+ 0 0 65 -4,-1.9 4,-2.2 -3,-0.4 -1,-0.2 0.909 112.1 49.0 -71.0 -42.6 11.3 7.9 18.4 97 95 A Y H X S+ 0 0 78 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.936 115.6 42.7 -58.4 -50.2 8.6 10.0 20.1 98 96 A I H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.932 113.8 51.3 -65.0 -45.0 8.2 7.5 22.9 99 97 A T H X S+ 0 0 55 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.848 109.1 53.3 -60.5 -33.7 12.0 7.0 23.3 100 98 A D H >< S+ 0 0 58 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.981 108.7 46.6 -60.8 -59.3 12.3 10.9 23.4 101 99 A K H 3< S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.775 104.7 63.1 -59.4 -27.3 9.8 11.3 26.3 102 100 A S H 3< S+ 0 0 35 -4,-1.8 2,-1.9 1,-0.2 -1,-0.3 0.841 88.7 71.1 -68.1 -32.8 11.5 8.4 28.1 103 101 A E << 0 0 86 -3,-1.2 -1,-0.2 -4,-1.1 -4,-0.0 -0.510 360.0 360.0 -78.5 69.4 14.7 10.5 28.3 104 102 A E 0 0 189 -2,-1.9 -3,-0.0 -3,-0.1 -4,-0.0 -0.872 360.0 360.0-151.1 360.0 13.2 12.9 30.9 105 !* 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 0.0 106 9 C E 0 0 161 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.2 25.9 -25.5 -14.7 107 10 C Q - 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