==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-12 4EA1 . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.-Y.LIN,K.LI,Y.-L.LIU,E OLDFIELD . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 77.9 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 3 0 0 0 3 0 1 1 1 1 0 0 1 1 1 0 1 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 . 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 1 A M 0 0 186 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 105.0 -1.1 -37.3 -19.3 2 2 A T > - 0 0 86 1,-0.1 4,-1.5 4,-0.0 3,-0.2 -0.263 360.0-103.4 -69.6 162.6 -1.8 -40.7 -17.9 3 3 A M H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.876 123.4 53.7 -54.2 -44.8 -4.8 -41.3 -15.7 4 4 A M H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 105.6 55.6 -59.5 -37.1 -2.7 -41.4 -12.5 5 5 A D H > S+ 0 0 41 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 104.3 52.8 -61.4 -37.9 -1.4 -38.0 -13.6 6 6 A M H X S+ 0 0 115 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.963 107.8 51.9 -62.6 -50.4 -4.9 -36.7 -13.8 7 7 A N H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.930 110.2 46.9 -47.4 -55.3 -5.5 -37.9 -10.2 8 8 A F H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.843 110.2 54.7 -59.1 -31.7 -2.4 -36.0 -9.0 9 9 A K H X S+ 0 0 146 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.841 104.9 52.1 -75.0 -32.0 -3.5 -33.0 -10.9 10 10 A Y H X S+ 0 0 33 -4,-2.3 4,-2.2 -3,-0.3 -2,-0.2 0.959 110.8 49.0 -60.1 -49.9 -6.9 -33.0 -9.1 11 11 A C H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.880 109.4 52.9 -55.9 -42.5 -4.9 -33.2 -5.8 12 12 A H H X S+ 0 0 36 -4,-2.4 4,-2.0 1,-0.2 3,-0.5 0.946 107.8 50.3 -56.4 -51.1 -2.8 -30.3 -7.0 13 13 A K H X S+ 0 0 112 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 107.5 53.6 -55.9 -44.1 -5.9 -28.2 -7.8 14 14 A I H X S+ 0 0 8 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.856 110.5 49.2 -59.1 -34.7 -7.4 -28.9 -4.3 15 15 A M H X S+ 0 0 3 -4,-1.4 4,-1.8 -3,-0.5 8,-0.3 0.875 111.0 43.8 -80.7 -40.5 -4.1 -27.7 -2.7 16 16 A K H < S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.685 113.1 55.3 -78.8 -18.1 -3.6 -24.3 -4.5 17 17 A K H < S+ 0 0 116 -4,-1.5 3,-0.2 -5,-0.3 -2,-0.2 0.906 118.8 30.1 -72.5 -42.5 -7.3 -23.5 -4.1 18 18 A H H < S+ 0 0 88 -4,-1.4 -2,-0.2 1,-0.2 2,-0.2 0.624 128.3 25.9-103.1 -15.5 -7.3 -23.9 -0.3 19 19 A S X + 0 0 15 -4,-1.8 4,-2.1 1,-0.1 -1,-0.2 -0.611 54.6 179.3-152.1 87.1 -3.8 -23.0 1.0 20 20 A K H > S+ 0 0 124 -3,-0.2 4,-3.1 1,-0.2 5,-0.2 0.874 80.4 55.8 -54.2 -43.5 -1.8 -20.6 -1.2 21 21 A S H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.958 111.2 37.0 -58.1 -62.2 1.2 -20.6 1.2 22 22 A F H > S+ 0 0 42 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.881 118.0 54.4 -63.9 -36.8 2.0 -24.3 1.4 23 23 A S H X S+ 0 0 6 -4,-2.1 4,-2.2 -8,-0.3 -1,-0.2 0.949 106.4 50.4 -57.4 -52.3 1.2 -24.7 -2.2 24 24 A Y H < S+ 0 0 63 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.881 119.7 37.3 -55.2 -41.3 3.6 -21.9 -3.2 25 25 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.926 117.2 46.5 -78.6 -48.1 6.4 -23.5 -1.2 26 26 A F H >< S+ 0 0 19 -4,-3.6 3,-2.2 1,-0.3 -3,-0.2 0.813 98.2 68.5 -74.0 -29.7 5.8 -27.2 -1.8 27 27 A D T 3< S+ 0 0 27 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.622 88.0 71.3 -58.9 -12.5 5.3 -27.0 -5.5 28 28 A L T < S+ 0 0 80 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.504 79.3 101.6 -85.2 -2.2 9.0 -26.1 -5.7 29 29 A L S < S- 0 0 7 -3,-2.2 2,-0.2 1,-0.1 205,-0.1 -0.268 90.8 -78.2 -74.5 165.4 9.9 -29.7 -4.8 30 30 A P >> - 0 0 51 0, 0.0 3,-2.5 0, 0.0 4,-1.7 -0.463 53.0-101.5 -64.6 134.9 11.1 -32.2 -7.3 31 31 A E H 3> S+ 0 0 106 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.696 119.3 49.8 -19.0 -58.7 8.2 -33.7 -9.4 32 32 A D H 3> S+ 0 0 129 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.806 114.5 42.2 -64.7 -32.3 8.1 -37.0 -7.4 33 33 A Q H <> S+ 0 0 43 -3,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.816 112.0 52.0 -87.7 -31.6 8.0 -35.4 -4.0 34 34 A R H X S+ 0 0 63 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.870 107.6 53.3 -73.3 -33.3 5.6 -32.6 -4.7 35 35 A K H X S+ 0 0 26 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.928 108.6 49.6 -65.1 -43.2 3.1 -35.0 -6.2 36 36 A A H X S+ 0 0 7 -4,-1.1 4,-2.3 1,-0.2 5,-0.2 0.940 112.2 49.2 -60.4 -43.9 3.2 -37.1 -3.0 37 37 A V H X S+ 0 0 4 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.928 107.2 53.5 -61.0 -47.9 2.7 -33.9 -1.0 38 38 A W H X S+ 0 0 13 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.909 111.6 48.1 -50.6 -45.0 -0.3 -32.8 -3.2 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.877 111.1 47.1 -66.8 -43.8 -1.8 -36.2 -2.5 40 40 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.919 113.4 51.6 -64.7 -40.7 -1.3 -36.2 1.3 41 41 A Y H X S+ 0 0 34 -4,-3.0 4,-3.6 1,-0.2 -2,-0.2 0.940 108.2 49.3 -60.3 -50.1 -2.6 -32.7 1.4 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.874 110.3 50.7 -61.9 -38.6 -5.8 -33.5 -0.5 43 43 A V H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.931 113.7 46.2 -63.7 -41.0 -6.5 -36.5 1.7 44 44 A C H >X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 3,-0.5 0.952 111.5 50.8 -64.4 -49.2 -6.0 -34.2 4.7 45 45 A R H 3X S+ 0 0 52 -4,-3.6 4,-1.8 1,-0.3 -1,-0.2 0.903 109.3 51.4 -50.4 -47.2 -8.2 -31.4 3.2 46 46 A K H 3X S+ 0 0 56 -4,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.777 108.2 51.3 -66.6 -29.5 -11.0 -33.9 2.5 47 47 A I H << S+ 0 0 0 -4,-1.4 3,-0.3 -3,-0.5 -1,-0.2 0.902 108.7 52.9 -70.2 -42.2 -10.8 -35.1 6.1 48 48 A D H < S+ 0 0 56 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.841 115.8 38.5 -58.6 -36.8 -11.1 -31.5 7.2 49 49 A D H >< S+ 0 0 54 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.617 79.6 102.3 -94.9 -14.5 -14.2 -30.9 5.2 50 50 A S T 3< S+ 0 0 6 -4,-1.1 7,-0.3 -3,-0.3 6,-0.3 0.553 74.5 74.1 -49.8 -3.6 -16.0 -34.2 5.7 51 51 A I T 3 0 0 98 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.989 360.0 360.0 -71.8 -70.2 -18.1 -32.2 8.1 52 52 A D < 0 0 155 -3,-0.7 -3,-0.0 0, 0.0 -2,-0.0 0.821 360.0 360.0 -65.7 360.0 -20.2 -30.1 5.6 53 ! 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 54 57 A I > 0 0 71 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 152.2 -20.3 -38.6 9.9 55 58 A Q H > + 0 0 107 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.910 360.0 46.2 -51.4 -57.8 -20.8 -40.9 6.9 56 59 A F H > S+ 0 0 48 -6,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.743 109.1 56.1 -66.1 -25.9 -18.2 -39.5 4.5 57 60 A L H > S+ 0 0 4 -3,-0.5 4,-2.0 -7,-0.3 -1,-0.2 0.887 105.8 49.8 -76.0 -38.1 -15.5 -39.4 7.2 58 61 A N H X S+ 0 0 55 -4,-1.7 4,-2.8 -3,-0.3 -2,-0.2 0.893 109.0 54.7 -62.1 -38.5 -15.9 -43.1 7.9 59 62 A Q H X S+ 0 0 61 -4,-1.8 4,-2.6 2,-0.2 19,-0.3 0.908 107.9 48.1 -61.4 -43.6 -15.7 -43.7 4.2 60 63 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.888 112.5 49.6 -61.6 -40.0 -12.3 -41.9 4.0 61 64 A K H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.912 110.9 49.1 -67.6 -42.2 -11.1 -43.9 7.0 62 65 A E H X S+ 0 0 95 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.913 110.1 51.1 -64.9 -42.2 -12.2 -47.1 5.4 63 66 A D H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.941 109.3 51.2 -57.8 -47.3 -10.4 -46.2 2.2 64 67 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.876 110.9 48.4 -60.1 -35.3 -7.2 -45.4 4.1 65 68 A Q H X S+ 0 0 80 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.884 104.9 58.1 -74.5 -37.7 -7.4 -48.8 5.8 66 69 A S H X S+ 0 0 39 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.934 111.6 43.6 -49.2 -48.3 -8.0 -50.7 2.5 67 70 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 108.6 57.0 -66.7 -46.5 -4.7 -49.2 1.3 68 71 A E H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.897 120.4 27.4 -53.7 -46.0 -2.8 -49.8 4.6 69 72 A K H < S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.680 133.4 32.3 -98.4 -18.4 -3.4 -53.5 4.5 70 73 A Y >< + 0 0 127 -4,-2.0 3,-1.2 -5,-0.3 -1,-0.2 -0.512 66.5 160.0-134.1 67.3 -3.8 -54.2 0.8 71 74 A P T 3 S+ 0 0 39 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.803 76.3 40.5 -59.5 -34.4 -1.5 -51.6 -0.9 72 75 A Y T 3 S+ 0 0 157 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.280 95.6 93.6-105.1 9.1 -1.3 -53.5 -4.2 73 76 A E S < S- 0 0 114 -3,-1.2 2,-0.4 -7,-0.2 -3,-0.1 -0.755 81.3-106.0-102.3 151.7 -4.9 -54.7 -4.6 74 77 A Y - 0 0 129 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.610 38.4-165.7 -80.5 131.4 -7.5 -52.7 -6.6 75 78 A H - 0 0 21 -2,-0.4 2,-0.9 -12,-0.0 -12,-0.0 -0.847 25.9-139.1-117.5 150.5 -10.1 -51.0 -4.5 76 79 A H - 0 0 159 -2,-0.3 -2,-0.0 2,-0.0 5,-0.0 -0.823 37.6-143.7-102.8 87.1 -13.5 -49.4 -5.2 77 80 A F - 0 0 22 -2,-0.9 4,-0.2 1,-0.1 -17,-0.1 -0.239 12.6-154.7 -62.7 136.3 -13.0 -46.3 -3.0 78 81 A Q S S+ 0 0 88 -19,-0.3 -1,-0.1 2,-0.1 -18,-0.1 0.700 83.3 35.5 -81.9 -20.6 -16.1 -45.1 -1.2 79 82 A S S S- 0 0 24 -20,-0.3 2,-0.7 1,-0.2 -19,-0.1 0.695 126.2 -13.5-100.7-103.6 -14.9 -41.5 -0.9 80 83 A D > - 0 0 20 1,-0.2 4,-2.7 2,-0.0 5,-0.3 -0.903 53.9-165.5-108.6 107.9 -12.8 -39.7 -3.5 81 84 A R H > S+ 0 0 108 -2,-0.7 4,-3.4 1,-0.2 5,-0.3 0.933 87.8 50.7 -54.5 -51.7 -11.4 -42.2 -6.0 82 85 A R H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 113.2 45.2 -57.5 -41.5 -8.9 -39.7 -7.5 83 86 A I H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 116.3 45.0 -69.0 -46.0 -7.5 -38.8 -4.1 84 87 A M H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.866 109.9 55.0 -69.6 -35.1 -7.3 -42.4 -2.9 85 88 A M H X S+ 0 0 27 -4,-3.4 4,-1.9 -5,-0.3 -1,-0.2 0.935 112.2 44.4 -60.1 -45.7 -5.8 -43.6 -6.1 86 89 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.938 112.5 51.2 -63.2 -46.5 -3.0 -41.1 -5.7 87 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.882 110.0 50.1 -60.1 -37.1 -2.6 -41.9 -2.0 88 91 A Q H X S+ 0 0 10 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.869 107.7 52.9 -71.0 -37.0 -2.2 -45.6 -2.9 89 92 A H H < S+ 0 0 60 -4,-1.9 3,-0.4 2,-0.2 4,-0.4 0.916 110.6 48.8 -59.4 -44.9 0.4 -44.9 -5.5 90 93 A V H >X S+ 0 0 9 -4,-2.3 3,-2.2 1,-0.2 4,-1.5 0.957 107.6 53.7 -59.9 -51.3 2.4 -42.9 -2.9 91 94 A A H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.704 99.0 64.4 -59.3 -22.3 2.1 -45.7 -0.3 92 95 A Q T 3< S+ 0 0 52 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.687 115.4 29.6 -73.4 -16.5 3.5 -48.2 -2.8 93 96 A H T <4 S+ 0 0 130 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.543 121.4 43.2-120.7 -14.1 6.8 -46.3 -2.9 94 97 A K S < S- 0 0 86 -4,-1.5 2,-1.4 2,-0.0 -1,-0.2 -0.955 81.1-108.4-137.7 156.0 7.0 -44.7 0.6 95 98 A N - 0 0 110 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.605 39.9-164.8 -87.8 82.6 6.5 -45.7 4.2 96 99 A I - 0 0 6 -2,-1.4 2,-1.6 -5,-0.2 3,-0.2 -0.449 20.6-131.8 -69.5 132.8 3.3 -43.8 5.2 97 100 A A >> + 0 0 27 1,-0.2 3,-1.6 -2,-0.2 4,-0.9 -0.613 28.2 179.0 -84.5 81.7 2.4 -43.5 8.9 98 101 A F H >> S+ 0 0 26 -2,-1.6 4,-2.2 1,-0.3 3,-0.6 0.854 73.6 67.1 -53.3 -38.5 -1.2 -44.6 8.7 99 102 A Q H 3> S+ 0 0 113 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.830 96.4 57.8 -55.1 -29.9 -1.7 -44.2 12.4 100 103 A S H <> S+ 0 0 7 -3,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.898 103.8 50.2 -68.8 -40.1 -1.2 -40.5 12.0 101 104 A F H X S+ 0 0 19 -4,-1.5 4,-0.7 -3,-0.4 3,-0.7 0.935 105.4 55.2 -74.0 -46.3 -11.8 -34.4 13.6 109 112 A Y H >< S+ 0 0 54 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.975 107.5 54.6 -37.9 -63.6 -14.6 -36.6 14.9 110 113 A K H >< S+ 0 0 134 -4,-2.1 3,-2.7 1,-0.3 -1,-0.2 0.736 89.0 74.1 -46.7 -36.5 -14.0 -34.9 18.3 111 114 A D H X< S+ 0 0 50 -4,-1.0 3,-1.9 -3,-0.7 -1,-0.3 0.808 86.4 64.1 -55.5 -29.7 -14.4 -31.4 17.0 112 115 A Q T << S+ 0 0 103 -3,-2.1 -1,-0.3 -4,-0.7 -2,-0.2 0.326 104.2 46.9 -79.8 9.2 -18.2 -31.9 16.7 113 116 A H T < S+ 0 0 134 -3,-2.7 -1,-0.3 -4,-0.1 -2,-0.2 -0.070 91.5 176.4-121.9 23.3 -18.2 -32.3 20.5 114 117 A F < + 0 0 44 -3,-1.9 2,-0.4 1,-0.1 -3,-0.1 0.003 7.7 171.8 -45.2 120.2 -16.0 -29.2 20.8 115 118 A T - 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0 0 28 -2,-0.4 -62,-0.3 -3,-0.1 -9,-0.0 -0.995 8.5-175.4-137.3 135.2 -11.8 -20.5 20.7 180 183 A Y + 0 0 23 -2,-0.4 2,-0.1 -14,-0.1 -1,-0.1 0.610 54.7 103.4-109.6 -15.9 -8.5 -22.3 21.0 181 184 A F S S- 0 0 4 -15,-0.1 -64,-0.3 1,-0.1 2,-0.2 -0.449 82.2-108.4 -56.4 138.5 -6.9 -20.2 23.7 182 185 A S > - 0 0 0 1,-0.1 4,-1.9 -2,-0.1 3,-0.3 -0.524 9.9-127.3 -81.6 140.9 -7.1 -22.3 26.9 183 186 A K H >> S+ 0 0 78 -66,-3.0 4,-3.0 1,-0.3 3,-0.7 0.930 112.0 57.1 -45.5 -52.4 -9.4 -21.4 29.8 184 187 A Q H 3> S+ 0 0 76 -66,-2.9 4,-2.7 -67,-0.3 -1,-0.3 0.936 111.9 40.7 -42.3 -54.3 -6.4 -21.5 32.1 185 188 A R H 3> S+ 0 0 44 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.685 112.4 54.7 -79.0 -16.8 -4.6 -18.9 30.0 186 189 A L H S+ 0 0 16 -4,-1.9 5,-1.7 -3,-0.7 4,-0.6 0.875 111.9 44.3 -80.6 -41.0 -7.7 -16.8 29.5 187 190 A K H ><5S+ 0 0 182 -4,-3.0 3,-1.6 -5,-0.2 -2,-0.2 0.980 113.5 51.0 -61.0 -57.2 -8.3 -16.5 33.2 188 191 A Q H 3<5S+ 0 0 92 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.907 117.3 38.4 -46.7 -52.0 -4.6 -15.9 33.9 189 192 A Y H 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.509 110.5-122.9 -82.4 -2.4 -4.4 -13.1 31.3 190 193 A E T <<5 + 0 0 141 -3,-1.6 2,-0.4 -4,-0.6 -3,-0.2 0.988 56.7 151.9 58.4 78.7 -7.9 -11.8 32.2 191 194 A V < - 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