==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CD36-BINDING PROTEIN,CELL ADHESION 02-FEB-08 3C64 . COMPND 2 MOLECULE: PFEMP1 VARIANT 2 OF STRAIN MC; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.M.KLEIN,A.G.GITTIS,H.P.SU,M.O.MAKOBONGO,J.M.MOORE,S.SINGH, . 152 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 75.7 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 . 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 . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 2 0 0 0 1 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 . 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 . 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 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 2 A D 0 0 210 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.1 14.3 31.9 26.8 2 3 A K + 0 0 146 1,-0.2 3,-0.1 0, 0.0 4,-0.0 -0.861 360.0 173.7 -97.1 105.6 17.5 32.3 24.7 3 4 A I - 0 0 146 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.849 63.3 -7.2 -77.6 -42.6 17.6 36.0 23.7 4 5 A M S S- 0 0 74 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.873 88.4 -66.9-146.3 179.0 21.0 36.0 22.0 5 6 A S > - 0 0 58 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.490 40.1-128.0 -72.9 142.8 24.1 33.9 21.4 6 7 A Y H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.775 108.5 56.9 -61.9 -28.4 26.2 33.1 24.5 7 8 A N H > S+ 0 0 84 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.934 110.6 42.0 -69.6 -44.7 29.3 34.4 22.8 8 9 A A H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.898 117.2 49.2 -67.8 -40.2 27.7 37.8 22.1 9 10 A F H X S+ 0 0 65 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.858 104.1 59.1 -65.5 -41.5 26.2 37.9 25.6 10 11 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.936 107.9 44.6 -53.9 -52.4 29.5 36.9 27.4 11 12 A W H X S+ 0 0 103 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.855 113.3 51.3 -64.5 -35.6 31.4 39.9 26.1 12 13 A M H X S+ 0 0 105 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.956 112.6 45.9 -64.5 -50.3 28.4 42.2 26.9 13 14 A W H X S+ 0 0 14 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.908 112.3 50.0 -58.4 -47.2 28.3 40.9 30.4 14 15 A V H X S+ 0 0 20 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.952 115.6 43.1 -59.1 -48.4 32.0 41.1 31.0 15 16 A H H X S+ 0 0 112 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.927 114.4 48.6 -62.3 -51.4 32.1 44.7 29.7 16 17 A D H X S+ 0 0 64 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.934 110.0 54.9 -54.3 -46.5 29.0 45.8 31.6 17 18 A M H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.904 108.2 48.1 -51.6 -49.0 30.5 44.1 34.7 18 19 A L H X S+ 0 0 75 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.872 112.9 45.3 -64.8 -43.0 33.7 46.2 34.4 19 20 A I H X S+ 0 0 72 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.796 111.3 53.8 -73.8 -26.5 32.0 49.6 33.9 20 21 A D H X S+ 0 0 45 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.928 107.4 52.0 -70.0 -42.0 29.5 48.8 36.8 21 22 A S H X S+ 0 0 9 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.914 110.1 48.1 -58.3 -45.0 32.5 48.1 39.0 22 23 A I H X S+ 0 0 98 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.881 108.6 54.0 -62.7 -40.3 34.1 51.5 38.1 23 24 A K H X S+ 0 0 154 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.830 105.4 54.7 -63.7 -33.3 30.8 53.3 38.7 24 25 A W H X S+ 0 0 51 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.890 101.9 56.4 -68.6 -39.3 30.7 51.7 42.2 25 26 A R H < S+ 0 0 172 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 106.8 51.1 -59.3 -37.3 34.2 53.1 43.1 26 27 A D H < S+ 0 0 119 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 104.2 56.2 -67.2 -40.2 32.9 56.6 42.3 27 28 A E H < 0 0 95 -4,-1.5 -2,-0.2 7,-0.0 -1,-0.2 0.912 360.0 360.0 -57.9 -40.9 29.9 56.1 44.5 28 29 A H < 0 0 92 -4,-1.8 -3,-0.1 6,-0.1 -2,-0.0 0.604 360.0 360.0 -95.4 360.0 32.3 55.4 47.3 29 ! 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 30 44 A G > 0 0 71 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -14.7 24.7 56.7 54.7 31 45 A C T 4 + 0 0 49 1,-0.2 118,-0.2 2,-0.2 120,-0.0 -0.016 360.0 57.4 -84.4 29.2 27.9 55.0 53.6 32 46 A N T > S+ 0 0 13 2,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.606 98.0 51.8-123.5 -43.7 26.4 51.7 54.9 33 47 A K H > S+ 0 0 165 -3,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.867 113.5 50.6 -64.0 -34.0 23.1 51.4 52.9 34 48 A K H X S+ 0 0 89 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.933 109.1 48.6 -68.6 -47.4 25.3 51.9 49.9 35 49 A a H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.648 109.3 53.3 -69.9 -16.6 27.8 49.2 50.9 36 50 A I H X S+ 0 0 78 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.808 109.6 48.1 -84.2 -34.2 25.0 46.7 51.5 37 51 A C H X S+ 0 0 77 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.859 113.4 49.5 -70.0 -33.6 23.6 47.4 48.0 38 52 A F H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.746 108.5 50.2 -77.8 -27.0 27.1 46.9 46.7 39 53 A Q H X S+ 0 0 55 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.935 109.6 52.1 -71.7 -50.5 27.7 43.7 48.5 40 54 A K H X S+ 0 0 160 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.843 110.0 50.0 -52.2 -38.2 24.4 42.4 47.2 41 55 A W H X S+ 0 0 26 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.884 108.3 50.7 -70.6 -41.6 25.5 43.3 43.7 42 56 A V H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.908 111.7 49.2 -63.3 -38.7 28.9 41.6 44.0 43 57 A E H X S+ 0 0 77 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.943 111.1 50.1 -63.8 -45.7 27.0 38.5 45.2 44 58 A Q H X S+ 0 0 92 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.944 112.8 45.4 -56.7 -52.8 24.7 38.8 42.2 45 59 A K H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.844 109.5 55.9 -62.8 -34.0 27.6 39.1 39.7 46 60 A K H X S+ 0 0 122 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.920 109.7 47.0 -61.8 -44.8 29.4 36.2 41.4 47 61 A T H X S+ 0 0 75 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.906 113.2 46.8 -63.3 -45.4 26.3 34.1 40.8 48 62 A E H X S+ 0 0 51 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.899 112.4 50.9 -65.4 -41.2 25.9 35.1 37.2 49 63 A W H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.891 107.3 52.9 -64.8 -40.3 29.6 34.6 36.5 50 64 A G H X S+ 0 0 21 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.920 111.3 47.2 -60.8 -41.1 29.5 31.1 38.1 51 65 A K H X S+ 0 0 135 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.860 108.6 54.4 -68.1 -36.4 26.6 30.3 35.7 52 66 A I H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.961 111.6 45.5 -60.7 -48.7 28.5 31.8 32.7 53 67 A K H X S+ 0 0 45 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.918 110.7 52.6 -60.4 -46.1 31.4 29.4 33.6 54 68 A D H X S+ 0 0 77 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.910 110.1 50.4 -56.4 -43.1 29.0 26.5 34.1 55 69 A H H X S+ 0 0 36 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.955 114.2 40.8 -61.1 -54.2 27.6 27.2 30.6 56 70 A F H < S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.797 112.8 55.7 -68.1 -25.4 30.9 27.4 28.8 57 71 A R H >< S+ 0 0 111 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.904 110.4 46.1 -72.3 -37.6 32.3 24.4 30.7 58 72 A K H >< S+ 0 0 153 -4,-2.1 3,-0.9 1,-0.2 2,-0.4 0.866 105.2 60.7 -70.8 -38.1 29.3 22.4 29.6 59 73 A Q T 3< S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 -0.056 80.5 89.9 -82.4 33.0 29.6 23.5 25.9 60 74 A K T < + 0 0 124 -3,-0.7 -1,-0.2 -2,-0.4 -2,-0.1 0.459 66.0 76.0-106.2 -3.8 33.1 22.0 25.6 61 75 A D < + 0 0 140 -3,-0.9 -1,-0.1 -4,-0.0 -2,-0.1 0.599 66.6 109.8 -82.9 -15.3 32.0 18.5 24.4 62 76 A I - 0 0 105 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.449 52.8-161.4 -66.1 126.6 31.2 19.7 20.8 63 77 A P + 0 0 121 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.846 49.3 131.9 -68.2 -34.7 33.7 18.4 18.3 64 78 A K + 0 0 163 1,-0.2 2,-0.1 4,-0.0 -2,-0.1 0.188 38.4 26.2 -58.3 143.7 32.7 20.9 15.8 65 79 A D + 0 0 110 3,-0.1 2,-1.3 4,-0.0 3,-0.3 -0.675 55.9 179.6 123.9 -61.8 33.9 23.5 13.4 66 80 A W S >> S+ 0 0 191 -3,-0.4 4,-1.6 1,-0.2 3,-0.7 -0.567 76.1 43.6 74.5 -91.8 37.4 22.2 12.6 67 81 A T H 3> S+ 0 0 80 -2,-1.3 4,-3.0 1,-0.2 -1,-0.2 0.802 109.1 61.2 -57.1 -30.4 38.8 24.8 10.1 68 82 A H H 3> S+ 0 0 84 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.919 103.7 48.0 -63.7 -43.5 37.4 27.6 12.3 69 83 A D H <> S+ 0 0 47 -3,-0.7 4,-0.9 1,-0.2 -1,-0.2 0.865 116.4 44.6 -63.5 -37.7 39.6 26.5 15.2 70 84 A D H X S+ 0 0 82 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.843 109.6 54.8 -75.3 -34.9 42.6 26.3 12.8 71 85 A F H X S+ 0 0 123 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.870 105.6 53.6 -66.3 -35.0 41.7 29.6 11.2 72 86 A L H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.811 106.6 52.3 -68.1 -31.1 41.7 31.2 14.7 73 87 A Q H X S+ 0 0 93 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.907 108.3 50.6 -70.8 -41.6 45.2 29.9 15.2 74 88 A T H X S+ 0 0 89 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.926 113.7 44.8 -60.5 -45.1 46.3 31.4 11.9 75 89 A L H X S+ 0 0 28 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.861 108.5 56.9 -67.2 -38.7 44.9 34.8 13.0 76 90 A L H X S+ 0 0 40 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.887 107.2 49.8 -61.2 -38.7 46.4 34.5 16.5 77 91 A M H X S+ 0 0 96 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.962 113.0 44.8 -64.6 -51.9 49.8 34.1 14.9 78 92 A K H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.929 116.2 47.0 -58.0 -47.3 49.3 37.2 12.6 79 93 A D H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.882 111.7 50.2 -63.3 -41.1 47.9 39.3 15.5 80 94 A L H X S+ 0 0 70 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.913 111.3 48.8 -65.1 -41.8 50.6 38.3 17.9 81 95 A L H X S+ 0 0 105 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.980 117.7 39.1 -58.9 -62.2 53.4 39.1 15.5 82 96 A L H X S+ 0 0 27 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.821 117.8 49.2 -56.6 -41.0 52.0 42.6 14.6 83 97 A E H X S+ 0 0 44 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.939 110.8 48.6 -67.8 -50.5 50.9 43.4 18.1 84 98 A I H X S+ 0 0 95 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.920 113.9 46.9 -57.5 -44.5 54.2 42.5 19.8 85 99 A I H >X S+ 0 0 65 -4,-2.3 4,-1.6 -5,-0.2 3,-0.9 0.958 114.5 47.7 -62.1 -48.9 56.2 44.5 17.2 86 100 A Q H 3< S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 113.9 47.3 -60.5 -35.7 53.8 47.4 17.7 87 101 A D H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.569 119.9 36.0 -85.0 -11.9 54.0 47.2 21.5 88 102 A T H << S+ 0 0 94 -4,-1.1 2,-0.4 -3,-0.9 -2,-0.2 0.471 114.4 51.2-118.2 -4.9 57.8 47.0 21.7 89 103 A Y S < S- 0 0 145 -4,-1.6 -1,-0.2 -5,-0.2 6,-0.0 -0.991 86.4 -8.7-140.6 143.4 59.0 49.2 18.9 90 104 A G - 0 0 51 -2,-0.4 2,-0.1 4,-0.1 -1,-0.0 0.146 62.8 -83.5 78.8 174.9 58.5 52.7 17.5 91 105 A D > - 0 0 92 1,-0.0 4,-2.7 0, 0.0 5,-0.2 -0.370 55.0 -79.2-106.9-172.4 56.3 55.8 17.9 92 106 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 129.1 51.1 -59.2 -42.1 52.9 56.7 16.5 93 107 A N H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.9 45.2 -63.1 -46.3 54.3 57.7 13.1 94 108 A E H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.937 111.6 51.3 -62.8 -50.2 56.3 54.4 12.8 95 109 A I H X S+ 0 0 42 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.874 112.8 48.0 -54.9 -38.2 53.3 52.3 13.9 96 110 A K H X S+ 0 0 150 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.923 110.1 49.5 -70.4 -44.8 51.1 54.1 11.3 97 111 A R H X S+ 0 0 193 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.872 111.1 50.6 -62.8 -38.2 53.6 53.7 8.5 98 112 A I H X S+ 0 0 60 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.895 108.1 52.0 -68.1 -38.5 54.0 50.0 9.2 99 113 A E H X S+ 0 0 83 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.930 111.8 47.5 -61.9 -42.6 50.2 49.5 9.2 100 114 A A H X S+ 0 0 54 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.899 109.0 53.7 -63.5 -44.2 50.1 51.3 5.8 101 115 A L H X S+ 0 0 114 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.940 112.1 44.6 -55.8 -49.1 52.9 49.1 4.5 102 116 A L H <>S+ 0 0 38 -4,-2.4 5,-1.5 2,-0.2 -1,-0.2 0.828 112.9 50.2 -66.8 -36.0 51.0 45.9 5.5 103 117 A E H ><5S+ 0 0 124 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.917 108.9 51.8 -68.8 -41.7 47.7 47.2 4.1 104 118 A Q H 3<5S+ 0 0 171 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.700 109.1 53.2 -66.8 -18.6 49.4 48.1 0.8 105 119 A A T 3<5S- 0 0 70 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.233 124.2-103.6 -99.4 9.7 50.8 44.5 0.8 106 120 A G T < 5S+ 0 0 72 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.969 77.2 134.6 67.2 51.2 47.3 43.0 1.3 107 121 A V < - 0 0 51 -5,-1.5 -1,-0.2 -8,-0.2 -2,-0.2 -0.980 53.0-128.8-132.8 116.6 47.7 42.1 5.0 108 122 A G - 0 0 41 -2,-0.4 3,-0.1 -3,-0.1 -5,-0.0 -0.287 28.1-115.0 -62.5 150.8 44.8 43.0 7.3 109 123 A G - 0 0 39 1,-0.2 -1,-0.1 -27,-0.0 2,-0.1 -0.122 53.7 -54.7 -75.5-176.6 45.7 44.9 10.4 110 124 A I + 0 0 51 -31,-0.1 2,-0.2 -32,-0.1 -1,-0.2 -0.357 56.2 171.8 -62.9 134.2 45.4 43.6 14.0 111 125 A D + 0 0 78 -36,-0.2 3,-0.3 -3,-0.1 4,-0.2 -0.693 10.9 165.7-147.9 88.2 41.9 42.3 14.9 112 126 A F S > S+ 0 0 84 -2,-0.2 3,-2.9 1,-0.2 4,-0.1 0.830 70.0 74.1 -73.8 -31.0 41.7 40.6 18.2 113 127 A A G > S+ 0 0 77 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.880 89.4 61.5 -50.1 -38.7 37.9 40.7 18.3 114 128 A A G 3 S+ 0 0 49 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.672 98.0 58.8 -63.2 -16.8 37.9 37.9 15.7 115 129 A L G X> + 0 0 14 -3,-2.9 3,-1.8 1,-0.2 4,-0.6 0.259 69.4 113.2 -95.1 9.3 39.7 35.7 18.2 116 130 A A H X> + 0 0 29 -3,-2.2 4,-1.6 1,-0.3 3,-1.5 0.868 67.6 63.9 -49.6 -41.2 36.9 35.9 20.8 117 131 A G H 3> S+ 0 0 24 -3,-0.4 4,-1.4 1,-0.3 -1,-0.3 0.791 93.0 63.5 -56.2 -28.3 36.1 32.2 20.4 118 132 A L H <> S+ 0 0 61 -3,-1.8 4,-1.1 2,-0.2 -1,-0.3 0.811 105.4 44.7 -68.2 -30.1 39.6 31.4 21.8 119 133 A Y H < S+ 0 0 32 -4,-1.1 3,-1.4 -3,-0.3 4,-0.4 0.644 96.0 79.4-109.4 -13.1 39.7 28.1 26.8 123 137 A F G >< S+ 0 0 9 -4,-3.0 3,-0.8 1,-0.3 -3,-0.1 0.754 87.3 65.5 -67.7 -20.3 39.0 30.2 30.0 124 138 A V G 3 S+ 0 0 14 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.667 94.3 57.5 -74.4 -17.0 37.1 27.3 31.5 125 139 A A G < S+ 0 0 71 -3,-1.4 -1,-0.2 -4,-0.0 2,-0.2 0.564 90.5 101.0 -86.7 -10.8 40.3 25.2 31.7 126 140 A E < - 0 0 127 -3,-0.8 3,-0.1 -4,-0.4 -3,-0.0 -0.506 67.0-146.8 -80.6 145.6 41.8 27.9 33.8 127 141 A K S S+ 0 0 207 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.928 85.7 16.0 -71.8 -51.7 42.1 27.7 37.6 128 142 A D S S- 0 0 85 4,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.781 71.9-159.4-120.4 165.7 41.6 31.5 38.2 129 143 A T > - 0 0 14 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.982 33.0-111.7-147.8 153.7 40.3 34.2 35.9 130 144 A T H > S+ 0 0 111 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.899 121.2 47.2 -50.9 -44.8 40.5 38.0 35.7 131 145 A I H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.928 110.2 50.8 -65.5 -45.4 36.8 38.2 36.5 132 146 A D H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 112.1 49.5 -56.6 -43.0 37.1 35.8 39.4 133 147 A K H X S+ 0 0 124 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.865 111.8 46.6 -63.9 -41.6 40.0 37.9 40.7 134 148 A L H X S+ 0 0 40 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.873 110.4 53.4 -69.6 -39.0 38.0 41.2 40.4 135 149 A L H X S+ 0 0 9 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.914 109.3 48.5 -61.6 -42.9 35.0 39.6 42.1 136 150 A Q H X S+ 0 0 85 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.935 112.2 48.8 -62.4 -45.4 37.2 38.5 45.0 137 151 A H H X S+ 0 0 77 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.885 110.7 51.3 -60.6 -39.8 38.6 42.0 45.2 138 152 A E H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 3,-0.4 0.953 110.3 49.1 -60.5 -50.5 35.0 43.4 45.0 139 153 A Q H X S+ 0 0 36 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.920 110.2 49.7 -55.3 -48.7 34.0 41.2 47.9 140 154 A K H X S+ 0 0 121 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.795 111.2 51.6 -62.4 -27.5 37.0 42.2 50.0 141 155 A E H X S+ 0 0 72 -4,-1.4 4,-1.1 -3,-0.4 -2,-0.2 0.899 109.7 48.0 -73.2 -46.0 36.1 45.8 49.3 142 156 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.917 112.5 50.1 -59.3 -46.8 32.5 45.3 50.4 143 157 A D H X S+ 0 0 56 -4,-2.8 4,-1.7 1,-0.2 3,-0.3 0.941 108.5 49.8 -58.9 -52.4 33.7 43.6 53.6 144 158 A K H X S+ 0 0 138 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.732 111.4 52.7 -61.8 -21.7 36.2 46.3 54.5 145 159 A a H X S+ 0 0 20 -4,-1.1 4,-2.6 -3,-0.3 -1,-0.2 0.865 108.1 46.5 -81.9 -39.3 33.3 48.8 54.0 146 160 A L H < S+ 0 0 39 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.732 111.8 53.6 -74.1 -23.0 30.8 47.2 56.2 147 161 A K H < S+ 0 0 168 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.899 118.3 34.0 -76.4 -42.0 33.4 46.7 59.0 148 162 A T H < S+ 0 0 99 -4,-1.2 2,-1.0 1,-0.2 -2,-0.2 0.945 115.1 55.8 -78.7 -51.3 34.3 50.4 59.0 149 163 A H < + 0 0 79 -4,-2.6 2,-0.7 -118,-0.2 -1,-0.2 -0.724 61.5 173.7 -96.3 98.2 31.0 52.0 58.2 150 164 A T + 0 0 111 -2,-1.0 -118,-0.1 1,-0.2 -119,-0.1 -0.896 21.3 137.0-103.0 110.4 28.3 51.0 60.7 151 165 A D + 0 0 58 -2,-0.7 2,-0.5 -121,-0.1 -1,-0.2 0.652 33.1 105.6-123.6 -34.0 25.0 52.9 60.2 152 166 A D 0 0 136 1,-0.2 -1,-0.0 -122,-0.0 0, 0.0 -0.374 360.0 360.0 -57.1 103.4 22.2 50.4 60.4 153 167 A T 0 0 179 -2,-0.5 -1,-0.2 -3,-0.0 -2,-0.0 0.893 360.0 360.0 -93.6 360.0 20.7 51.3 63.8