==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 29-JUN-10 3NQU . COMPND 2 MOLECULE: HISTONE H3-LIKE CENTROMERIC PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.SEKULIC,B.E.BLACK . 143 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.2 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 . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 . 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 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 59 A H 0 0 172 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.6 46.3 37.4 20.4 2 60 A L - 0 0 37 1,-0.1 4,-0.1 2,-0.0 36,-0.1 -0.495 360.0-175.2 -84.3 130.1 46.6 37.1 16.6 3 61 A L + 0 0 15 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.597 69.3 70.8-100.9 -17.2 49.6 35.4 15.1 4 62 A I S S- 0 0 6 33,-0.1 2,-0.1 85,-0.1 78,-0.1 -0.848 97.4-105.9 -96.5 138.8 48.7 36.1 11.5 5 63 A R > - 0 0 59 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.444 26.3-128.8 -60.5 134.8 49.1 39.7 10.4 6 64 A K T 4 S+ 0 0 132 2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.800 102.8 52.1 -57.3 -31.4 45.5 41.3 10.0 7 65 A L T >> S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 3,-1.6 0.979 109.0 44.9 -79.0 -57.5 46.2 42.6 6.5 8 66 A P H 3> S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.900 116.1 51.2 -45.9 -42.5 47.5 39.4 4.8 9 67 A F H 3X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.666 111.2 48.4 -65.8 -18.9 44.5 37.6 6.5 10 68 A S H <> S+ 0 0 33 -3,-1.6 4,-2.4 -4,-0.5 -1,-0.2 0.815 107.2 51.5 -96.3 -38.4 42.1 40.3 5.2 11 69 A R H X S+ 0 0 166 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.973 112.9 48.5 -58.8 -55.8 43.2 40.2 1.6 12 70 A L H X S+ 0 0 3 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.957 111.1 48.9 -46.2 -63.5 42.8 36.5 1.7 13 71 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.869 113.6 47.3 -45.8 -45.0 39.4 36.7 3.2 14 72 A R H X S+ 0 0 48 -4,-2.4 4,-3.4 2,-0.2 -1,-0.2 0.931 111.7 50.1 -67.5 -42.6 38.3 39.3 0.6 15 73 A E H X S+ 0 0 71 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.875 113.2 47.0 -60.6 -38.6 39.8 37.2 -2.3 16 74 A I H X S+ 0 0 11 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.933 114.1 46.2 -69.2 -45.2 37.9 34.2 -1.0 17 75 A C H >X S+ 0 0 5 -4,-2.5 4,-3.3 -5,-0.3 3,-1.0 0.927 113.2 49.6 -66.2 -45.2 34.7 36.1 -0.6 18 76 A V H 3X S+ 0 0 90 -4,-3.4 4,-1.9 1,-0.3 -1,-0.2 0.780 106.1 55.8 -64.1 -30.0 35.0 37.7 -4.0 19 77 A K H 3< S+ 0 0 124 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.633 116.0 40.0 -78.6 -16.2 35.6 34.3 -5.6 20 78 A F H << S+ 0 0 62 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 0.849 122.4 36.7 -93.4 -52.1 32.3 33.2 -4.1 21 79 A T H >< S- 0 0 22 -4,-3.3 3,-0.7 -5,-0.1 -3,-0.2 0.900 84.7-168.3 -73.3 -41.1 30.2 36.3 -4.6 22 80 A R T 3< S- 0 0 181 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.650 76.1 -7.2 71.3 17.9 31.8 37.0 -7.9 23 81 A G T 3 S+ 0 0 70 1,-0.5 2,-0.4 -5,-0.1 -1,-0.3 0.069 99.8 112.9 151.9 -27.4 30.4 40.5 -8.3 24 82 A V < - 0 0 79 -3,-0.7 2,-0.5 -6,-0.1 -1,-0.5 -0.608 64.6-132.2 -77.1 128.5 27.9 41.0 -5.5 25 83 A D + 0 0 133 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.711 31.2 172.6 -91.6 123.6 29.4 43.7 -3.3 26 84 A F - 0 0 21 -2,-0.5 2,-0.3 107,-0.0 107,-0.2 -0.958 22.0-138.4-124.4 150.9 29.4 43.1 0.5 27 85 A N E -a 133 0A 104 105,-2.7 107,-3.0 -2,-0.3 2,-0.5 -0.788 12.3-142.4-101.2 151.6 30.9 45.1 3.3 28 86 A W E -a 134 0A 48 -2,-0.3 107,-0.1 105,-0.2 2,-0.1 -0.959 12.9-132.2-115.2 119.1 32.7 43.5 6.2 29 87 A Q >> - 0 0 84 105,-2.1 3,-2.0 -2,-0.5 4,-2.0 -0.417 24.6-123.2 -56.1 139.0 32.4 45.0 9.7 30 88 A A H 3> S+ 0 0 85 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.799 116.8 54.6 -56.2 -27.7 35.9 45.2 11.1 31 89 A Q H 3> S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.551 102.5 55.8 -84.0 -14.5 34.5 43.1 13.9 32 90 A A H <> S+ 0 0 0 -3,-2.0 4,-2.4 102,-0.2 -2,-0.2 0.930 109.9 44.6 -78.5 -54.0 33.4 40.5 11.4 33 91 A L H X S+ 0 0 35 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.828 114.8 50.3 -54.3 -37.1 36.9 40.1 10.0 34 92 A L H X S+ 0 0 64 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.964 110.0 47.6 -69.3 -50.8 38.3 40.0 13.5 35 93 A A H X S+ 0 0 13 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.875 112.2 52.5 -57.9 -40.1 35.9 37.3 14.7 36 94 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.954 108.5 48.6 -57.7 -55.7 36.7 35.3 11.6 37 95 A Q H X S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.887 108.6 53.8 -57.8 -41.6 40.4 35.5 12.2 38 96 A E H X S+ 0 0 101 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.950 113.6 43.3 -52.1 -52.5 40.0 34.4 15.9 39 97 A A H X S+ 0 0 17 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.858 112.6 53.2 -62.5 -38.6 38.1 31.4 14.7 40 98 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.938 115.1 40.2 -62.1 -48.1 40.6 30.8 11.9 41 99 A E H X S+ 0 0 9 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.950 113.3 52.7 -65.9 -48.2 43.5 30.8 14.3 42 100 A A H X S+ 0 0 62 -4,-3.1 4,-1.7 1,-0.3 -1,-0.2 0.731 109.2 51.8 -64.0 -23.9 41.7 28.9 17.0 43 101 A F H X S+ 0 0 55 -4,-1.4 4,-2.8 -5,-0.2 -1,-0.3 0.933 109.1 48.5 -78.6 -44.3 40.8 26.2 14.6 44 102 A L H X S+ 0 0 4 -4,-1.8 4,-3.3 1,-0.2 -2,-0.2 0.908 111.5 51.4 -61.4 -40.8 44.4 25.8 13.3 45 103 A V H X S+ 0 0 19 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.922 113.3 41.7 -65.1 -46.0 45.7 25.6 16.9 46 104 A H H X S+ 0 0 99 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.898 115.2 52.6 -68.7 -37.6 43.3 22.9 18.0 47 105 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.952 108.7 50.2 -63.8 -48.8 43.9 21.1 14.7 48 106 A F H X S+ 0 0 5 -4,-3.3 4,-0.9 2,-0.2 -1,-0.2 0.795 111.4 49.2 -49.3 -39.6 47.6 21.3 15.4 49 107 A E H >X S+ 0 0 81 -4,-1.7 4,-2.1 2,-0.2 3,-0.7 0.970 112.3 45.8 -71.2 -51.5 47.2 19.9 18.9 50 108 A D H 3X S+ 0 0 48 -4,-2.6 4,-1.9 1,-0.3 3,-0.3 0.934 112.8 50.6 -53.2 -49.6 45.0 16.9 17.8 51 109 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.758 109.0 54.6 -61.3 -24.3 47.4 16.2 14.9 52 110 A Y H <>S+ 0 0 0 -4,-1.9 5,-1.3 2,-0.2 3,-0.7 0.966 114.7 45.3 -45.2 -62.9 52.5 12.3 15.9 56 114 A L H ><5S+ 0 0 89 -4,-3.0 3,-2.4 1,-0.3 -1,-0.2 0.918 108.7 57.1 -47.4 -48.4 53.3 11.4 19.5 57 115 A H H 3<5S+ 0 0 167 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.859 103.4 54.2 -53.5 -40.0 51.0 8.4 19.1 58 116 A A T <<5S- 0 0 58 -4,-2.2 -1,-0.3 -3,-0.7 -2,-0.2 0.223 120.2-110.0 -76.8 14.1 53.3 7.3 16.1 59 117 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.264 83.9 116.2 76.3 -11.9 56.4 7.5 18.3 60 118 A R < - 0 0 49 -5,-1.3 -1,-0.2 -6,-0.2 3,-0.1 -0.159 54.6-159.3 -85.0 173.9 57.6 10.6 16.4 61 119 A V S S+ 0 0 92 -3,-0.1 37,-1.2 1,-0.1 2,-0.5 0.326 71.0 86.4-131.2 -4.8 58.1 14.2 17.5 62 120 A T E S-b 98 0B 45 35,-0.1 37,-0.2 -7,-0.1 2,-0.2 -0.912 79.3-126.5-105.9 121.5 57.9 15.8 14.1 63 121 A L E -b 99 0B 0 35,-2.0 37,-2.4 -2,-0.5 40,-0.2 -0.475 29.5-166.7 -67.6 126.6 54.5 16.8 12.8 64 122 A F >> - 0 0 67 -2,-0.2 3,-1.7 -13,-0.2 4,-1.4 -0.862 36.0-111.5-111.7 149.4 53.9 15.2 9.3 65 123 A P H 3> S+ 0 0 23 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.872 118.5 62.6 -49.4 -31.9 51.1 16.1 6.9 66 124 A K H 3> S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.841 98.9 55.1 -65.6 -29.9 49.7 12.6 7.6 67 125 A D H <> S+ 0 0 6 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.958 111.8 42.7 -60.4 -50.8 49.2 13.6 11.2 68 126 A V H X S+ 0 0 2 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.914 115.8 49.0 -62.8 -42.6 47.1 16.7 10.2 69 127 A Q H X S+ 0 0 82 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.2 0.794 110.2 49.9 -68.7 -34.4 45.2 14.7 7.5 70 128 A L H X S+ 0 0 87 -4,-2.0 4,-2.2 -5,-0.2 3,-0.3 0.947 109.6 52.9 -68.1 -47.7 44.4 11.8 9.9 71 129 A A H X S+ 0 0 6 -4,-2.3 4,-1.5 1,-0.3 -2,-0.2 0.885 111.0 45.4 -54.1 -44.4 43.1 14.3 12.5 72 130 A R H X S+ 0 0 97 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.826 111.1 54.0 -67.3 -31.6 40.8 16.0 9.9 73 131 A R H < S+ 0 0 208 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.846 109.0 48.4 -73.8 -33.4 39.6 12.6 8.8 74 132 A I H < S+ 0 0 124 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.729 110.3 51.6 -81.7 -24.1 38.8 11.7 12.3 75 133 A R H < 0 0 104 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.890 360.0 360.0 -74.6 -43.0 36.9 14.9 12.8 76 134 A G < 0 0 104 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.660 360.0 360.0 106.0 360.0 34.8 14.5 9.7 77 !* 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 78 25 B N > 0 0 93 0, 0.0 3,-1.4 0, 0.0 -66,-0.3 0.000 360.0 360.0 360.0 161.0 46.3 35.7 -1.6 79 26 B I G > + 0 0 32 1,-0.3 3,-1.7 2,-0.2 32,-0.0 0.727 360.0 61.4 -72.8 -31.0 47.4 32.4 0.2 80 27 B Q G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 28,-0.0 0.519 87.7 81.2 -71.6 -4.1 51.2 32.5 0.1 81 28 B G G < + 0 0 30 -3,-1.4 2,-0.6 -73,-0.1 -1,-0.3 0.388 69.2 88.7 -81.8 -2.9 50.7 35.7 2.1 82 29 B I S < S- 0 0 1 -3,-1.7 2,-0.1 -74,-0.1 26,-0.1 -0.918 84.9-138.1 -92.6 113.9 50.3 33.4 5.2 83 30 B T > - 0 0 63 -2,-0.6 4,-2.2 1,-0.1 3,-0.3 -0.419 16.2-119.3 -93.9 150.3 53.9 33.2 6.2 84 31 B K H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.919 115.3 52.4 -41.0 -56.3 56.1 30.4 7.4 85 32 B P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.900 107.3 52.1 -55.6 -41.5 56.8 32.2 10.7 86 33 B A H > S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.907 107.4 53.3 -59.7 -39.4 53.0 32.6 11.3 87 34 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 -3,-0.4 -1,-0.2 0.867 109.2 48.2 -65.5 -32.8 52.5 28.9 10.8 88 35 B R H X S+ 0 0 96 -4,-1.8 4,-3.1 -3,-0.3 -1,-0.2 0.859 109.6 50.9 -76.8 -35.8 55.2 28.0 13.3 89 36 B R H X S+ 0 0 99 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.946 112.6 48.0 -62.7 -47.9 53.8 30.3 16.0 90 37 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.918 115.0 45.2 -54.9 -47.6 50.4 28.7 15.4 91 38 B A H <>S+ 0 0 2 -4,-2.3 5,-2.4 -5,-0.2 -2,-0.2 0.931 112.3 51.7 -64.9 -41.0 52.0 25.3 15.6 92 39 B R H ><5S+ 0 0 159 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.931 110.2 47.7 -59.0 -49.7 54.0 26.4 18.7 93 40 B R H 3<5S+ 0 0 120 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.854 108.5 57.4 -61.5 -32.3 50.8 27.6 20.4 94 41 B G T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.384 121.6-111.1 -77.5 1.6 49.3 24.2 19.3 95 42 B G T < 5 + 0 0 40 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.417 67.0 148.6 85.8 -3.0 52.1 22.5 21.3 96 43 B V < - 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