==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-06 2NO4 . COMPND 2 MOLECULE: (S)-2-HALOACID DEHALOGENASE IVA; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR J.W.SCHMIDBERGER,M.C.J.WILCE . 451 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 2 0.4 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 . 22 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.3 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 4 2 0 0 0 0 6 2 0 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 8 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 L 0 0 186 0, 0.0 170,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.2 -30.4 70.7 -19.6 2 2 A V + 0 0 137 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.720 360.0 12.6-122.0 -34.5 -34.3 70.5 -19.9 3 3 A D S S+ 0 0 157 1,-0.1 168,-0.0 0, 0.0 0, 0.0 -0.268 87.9 137.7-135.2 47.8 -35.4 66.9 -20.8 4 4 A S + 0 0 38 166,-0.1 -1,-0.1 168,-0.0 2,-0.0 0.631 11.2 120.9 -86.1 -25.1 -32.2 65.1 -20.1 5 5 A L + 0 0 46 1,-0.2 167,-0.2 167,-0.1 166,-0.1 -0.173 15.0 148.5 -60.7 120.6 -32.4 61.7 -18.2 6 6 A R + 0 0 100 165,-2.8 108,-2.6 1,-0.3 2,-0.4 0.590 60.6 43.3-115.5 -22.7 -31.0 58.7 -20.1 7 7 A A E -ab 114 172A 0 164,-1.9 166,-3.2 106,-0.2 2,-0.6 -0.990 53.0-157.0-139.1 134.3 -29.7 56.5 -17.3 8 8 A C E -ab 115 173A 0 106,-3.1 108,-2.5 -2,-0.4 2,-0.5 -0.972 22.1-169.7-106.1 112.0 -30.8 55.2 -14.0 9 9 A V E -ab 116 174A 0 164,-2.6 166,-3.1 -2,-0.6 2,-0.4 -0.928 5.9-161.4-108.1 121.4 -27.7 54.2 -12.0 10 10 A F E -ab 117 175A 0 106,-3.1 108,-2.8 -2,-0.5 166,-0.2 -0.834 18.1-132.3-105.2 138.5 -28.3 52.3 -8.8 11 11 A D - 0 0 5 164,-2.4 5,-0.3 -2,-0.4 108,-0.2 -0.531 21.9-154.9 -62.5 147.7 -26.2 51.6 -5.7 12 12 A A >>> + 0 0 0 106,-0.3 5,-2.6 -2,-0.2 4,-1.7 0.901 69.1 60.4 -91.0 -66.0 -26.3 47.9 -4.8 13 13 A Y B 345S+f 17 0B 6 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 -0.534 122.8 6.4 -80.6 105.6 -25.5 47.3 -1.1 14 14 A G T 345S+ 0 0 7 3,-2.7 -1,-0.3 -2,-0.7 4,-0.1 0.159 131.8 53.6 112.7 -16.2 -28.2 49.1 1.0 15 15 A T T <45S+ 0 0 0 -3,-1.5 -2,-0.2 2,-0.1 -3,-0.2 0.755 127.4 6.6-115.8 -57.8 -30.3 50.2 -1.9 16 16 A L T <5S+ 0 0 0 -4,-1.7 82,-2.5 -5,-0.3 2,-0.4 0.696 131.0 53.7 -94.8 -33.0 -31.3 47.1 -4.1 17 17 A L B - 0 0 25 78,-3.5 3,-1.1 -2,-0.4 78,-0.3 -0.696 17.5-170.4 -85.5 105.1 -30.7 44.5 2.0 19 19 A V T > S+ 0 0 17 -2,-0.9 3,-0.7 1,-0.2 4,-0.4 0.771 83.3 63.4 -67.6 -23.4 -27.5 44.5 4.1 20 20 A H T 3> S+ 0 0 93 1,-0.2 4,-2.5 2,-0.1 3,-0.3 0.731 87.9 74.2 -67.2 -21.7 -29.5 43.7 7.3 21 21 A S H <> S+ 0 0 2 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.700 80.5 65.8 -72.2 -24.8 -30.6 40.3 5.9 22 22 A A H <4 S+ 0 0 0 -3,-0.7 4,-0.3 -4,-0.3 -1,-0.2 0.949 116.9 28.1 -65.1 -43.6 -27.3 38.4 6.3 23 23 A V H >4 S+ 0 0 3 -4,-0.4 3,-1.2 -3,-0.3 -2,-0.2 0.878 117.4 60.6 -80.8 -39.8 -27.5 38.7 10.1 24 24 A M H >< S+ 0 0 116 -4,-2.5 3,-1.5 1,-0.3 4,-0.2 0.920 103.1 50.5 -55.7 -46.0 -31.3 38.8 10.3 25 25 A R T 3< S+ 0 0 127 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.729 121.0 36.4 -62.7 -22.3 -31.6 35.4 8.6 26 26 A N T <> S+ 0 0 18 -3,-1.2 4,-1.7 -4,-0.3 3,-0.5 0.113 79.3 121.2-116.8 19.3 -29.2 34.0 11.2 27 27 A A H <> S+ 0 0 32 -3,-1.5 4,-3.0 1,-0.3 7,-0.2 0.824 72.2 53.4 -59.4 -37.4 -30.2 36.0 14.2 28 28 A D H 4 S+ 0 0 157 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.880 110.1 47.7 -67.4 -37.5 -31.0 32.9 16.4 29 29 A E H 4 S+ 0 0 100 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.5 47.3 -72.1 -30.1 -27.6 31.4 15.8 30 30 A V H < S- 0 0 8 -4,-1.7 3,-0.3 -7,-0.2 -2,-0.2 0.910 101.7-150.1 -74.2 -43.2 -26.0 34.8 16.6 31 31 A G >< - 0 0 35 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 -0.548 48.3 -30.0 96.7-163.6 -28.0 35.4 19.8 32 32 A A T 3 S+ 0 0 117 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.598 128.2 65.4 -75.3 -10.2 -29.0 38.8 21.4 33 33 A S T 3> S+ 0 0 42 -3,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.421 71.3 108.4 -79.9 1.2 -26.0 40.8 20.1 34 34 A A H <> S+ 0 0 11 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.836 77.3 44.4 -53.7 -48.4 -27.2 40.2 16.4 35 35 A E H > S+ 0 0 111 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.926 116.8 45.8 -64.1 -45.5 -28.4 43.8 15.7 36 36 A A H > S+ 0 0 29 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.892 113.8 50.3 -62.0 -43.1 -25.2 45.4 17.3 37 37 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.921 110.0 50.3 -59.1 -46.3 -23.0 42.9 15.5 38 38 A S H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.903 111.4 47.8 -61.3 -45.9 -24.8 43.7 12.2 39 39 A M H X S+ 0 0 108 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.893 114.0 46.8 -61.8 -41.2 -24.3 47.5 12.7 40 40 A L H X S+ 0 0 27 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.896 110.5 53.2 -70.3 -41.6 -20.6 47.0 13.6 41 41 A W H X S+ 0 0 7 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.942 112.6 43.6 -54.4 -52.8 -20.1 44.7 10.6 42 42 A R H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 112.7 51.1 -60.5 -47.5 -21.6 47.3 8.2 43 43 A Q H X S+ 0 0 33 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.892 113.6 44.7 -63.5 -39.1 -19.7 50.3 9.7 44 44 A R H X S+ 0 0 45 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.886 109.0 55.9 -71.7 -36.6 -16.3 48.6 9.6 45 45 A Q H X S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.953 115.9 38.6 -57.2 -48.2 -16.9 47.3 6.0 46 46 A L H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 113.3 54.8 -70.2 -45.8 -17.5 50.9 4.9 47 47 A E H X S+ 0 0 6 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.921 109.6 49.0 -48.3 -48.0 -14.7 52.4 7.2 48 48 A Y H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.876 108.1 53.1 -66.1 -38.5 -12.3 50.0 5.5 49 49 A S H X S+ 0 0 0 -4,-1.6 4,-1.0 -5,-0.2 102,-0.3 0.926 117.1 39.0 -61.7 -41.9 -13.4 51.0 2.0 50 50 A W H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.948 118.5 43.2 -74.4 -54.5 -12.8 54.7 2.8 51 51 A T H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -3,-0.2 0.861 112.2 53.5 -65.5 -36.4 -9.7 54.5 4.8 52 52 A R H <>S+ 0 0 10 -4,-2.1 5,-2.9 -5,-0.3 4,-0.4 0.836 109.3 49.5 -68.3 -31.5 -7.9 52.0 2.5 53 53 A T H ><5S+ 0 0 17 -4,-1.0 3,-1.0 -5,-0.3 -2,-0.2 0.945 111.0 50.0 -68.3 -45.4 -8.6 54.3 -0.5 54 54 A L H 3<5S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 116.6 40.7 -58.5 -36.7 -7.2 57.3 1.4 55 55 A M T 3<5S- 0 0 5 -4,-1.9 -1,-0.2 325,-0.2 -2,-0.2 0.436 112.2-118.0 -97.9 2.4 -4.1 55.4 2.4 56 56 A H T < 5S+ 0 0 125 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.890 76.4 122.2 66.5 40.7 -3.7 53.7 -1.0 57 57 A Q < - 0 0 59 -5,-2.9 -4,-0.1 -6,-0.1 -1,-0.1 -0.487 41.5-177.8-128.9 65.8 -4.0 50.1 0.2 58 58 A Y + 0 0 49 91,-0.2 2,-0.3 -5,-0.1 -9,-0.1 -0.328 11.6 168.7 -62.2 139.7 -6.9 48.8 -1.8 59 59 A A - 0 0 9 -10,-0.1 5,-0.1 -2,-0.0 -2,-0.1 -0.933 43.3 -89.6-140.3 156.0 -8.3 45.3 -1.3 60 60 A D > - 0 0 46 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.041 35.9-105.9 -71.1 167.0 -11.6 44.1 -2.9 61 61 A F H > S+ 0 0 2 59,-0.4 4,-2.5 1,-0.2 5,-0.1 0.815 116.7 55.7 -69.6 -31.9 -15.0 44.5 -1.2 62 62 A W H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 107.8 49.7 -64.0 -48.3 -15.4 40.8 -0.4 63 63 A Q H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.887 112.9 46.6 -54.0 -44.1 -12.1 40.8 1.5 64 64 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.877 110.4 52.9 -68.2 -38.3 -13.2 43.9 3.4 65 65 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.897 112.0 46.8 -57.0 -46.6 -16.6 42.3 4.2 66 66 A D H X S+ 0 0 49 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.937 113.8 46.2 -60.4 -54.0 -14.7 39.3 5.5 67 67 A E H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 113.2 49.9 -58.5 -43.0 -12.3 41.4 7.6 68 68 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.885 111.7 48.5 -64.2 -38.8 -15.1 43.5 9.0 69 69 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.941 110.9 49.9 -67.8 -47.3 -17.1 40.4 9.9 70 70 A T H X S+ 0 0 25 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.909 111.9 48.8 -54.0 -46.0 -14.1 38.8 11.7 71 71 A F H X S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.902 112.5 47.8 -61.3 -48.0 -13.6 42.0 13.6 72 72 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.894 111.9 48.7 -59.6 -46.9 -17.3 42.2 14.6 73 73 A L H <>S+ 0 0 2 -4,-3.0 5,-2.1 2,-0.2 4,-0.3 0.906 113.9 47.5 -61.0 -42.7 -17.5 38.6 15.8 74 74 A R H ><5S+ 0 0 103 -4,-2.2 3,-1.3 -5,-0.3 -2,-0.2 0.916 108.4 55.0 -63.4 -43.9 -14.3 39.0 17.8 75 75 A T H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 112.2 43.0 -55.6 -41.7 -15.6 42.3 19.3 76 76 A Y T 3<5S- 0 0 76 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.366 104.7-131.9 -89.6 3.0 -18.7 40.4 20.5 77 77 A H T < 5 - 0 0 154 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.870 37.9-166.4 54.0 42.3 -16.7 37.4 21.7 78 78 A L > < - 0 0 28 -5,-2.1 3,-0.6 1,-0.1 2,-0.3 -0.205 21.3-116.3 -69.7 150.6 -19.1 35.1 20.0 79 79 A E T 3 S+ 0 0 178 1,-0.2 5,-0.1 -49,-0.2 -1,-0.1 -0.651 98.6 12.7 -70.8 140.0 -19.2 31.3 20.5 80 80 A D T 3> S+ 0 0 85 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 0.896 70.4 174.5 55.8 50.1 -18.4 29.4 17.3 81 81 A R H <> S+ 0 0 107 -3,-0.6 4,-2.7 1,-0.2 5,-0.1 0.853 74.7 55.5 -45.8 -38.1 -16.9 32.3 15.4 82 82 A K H > S+ 0 0 160 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.8 35.4 -72.1 -52.9 -16.0 29.9 12.6 83 83 A G H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.900 120.9 51.5 -67.8 -43.0 -19.3 28.2 11.7 84 84 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.911 108.7 50.4 -57.3 -44.1 -21.0 31.4 12.4 85 85 A K H X S+ 0 0 52 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.938 109.9 50.3 -64.1 -46.9 -18.6 33.3 10.0 86 86 A D H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 113.4 46.0 -55.7 -47.3 -19.1 30.7 7.2 87 87 A R H X S+ 0 0 119 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.912 114.4 47.1 -63.9 -46.3 -22.9 31.0 7.5 88 88 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.892 113.1 47.6 -66.2 -40.9 -22.9 34.9 7.7 89 89 A M H X S+ 0 0 12 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.901 112.1 50.8 -65.9 -40.8 -20.5 35.2 4.7 90 90 A S H X S+ 0 0 79 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.900 110.3 49.8 -60.3 -41.6 -22.6 32.7 2.6 91 91 A A H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.6 50.5 -64.8 -34.6 -25.7 34.7 3.5 92 92 A Y H >< S+ 0 0 4 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.874 101.9 60.6 -70.5 -37.2 -23.9 37.9 2.4 93 93 A K H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.880 117.6 31.6 -57.7 -38.0 -22.9 36.3 -0.9 94 94 A E T 3< S- 0 0 106 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.422 89.1-178.8-116.0 52.9 -26.6 35.9 -1.7 95 95 A L < - 0 0 1 -3,-1.5 -3,-0.1 1,-0.1 -76,-0.1 -0.270 34.8-102.9 -52.3 134.3 -27.9 39.0 0.1 96 96 A S - 0 0 46 -78,-0.3 -78,-3.5 -79,-0.1 2,-0.2 -0.293 32.0-128.5 -61.0 140.1 -31.7 39.4 -0.1 97 97 A A B -G 17 0B 29 -80,-0.3 -80,-0.3 -3,-0.1 -1,-0.1 -0.573 31.4 -97.4 -83.1 152.9 -33.0 41.9 -2.5 98 98 A Y > - 0 0 30 -82,-2.5 3,-1.6 -2,-0.2 4,-0.4 -0.463 40.4-111.4 -65.8 147.6 -35.5 44.5 -1.4 99 99 A P T 3 S+ 0 0 121 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.746 114.0 43.0 -60.6 -27.2 -39.0 43.3 -2.3 100 100 A D T 3> S+ 0 0 55 1,-0.1 4,-2.1 2,-0.1 5,-0.2 0.443 88.5 93.8 -96.7 -2.8 -39.7 46.0 -4.9 101 101 A A H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 5,-0.3 0.952 84.0 45.2 -55.7 -59.3 -36.2 45.9 -6.6 102 102 A A H > S+ 0 0 33 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.923 116.3 45.7 -53.7 -51.4 -36.9 43.4 -9.5 103 103 A E H > S+ 0 0 108 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.885 112.9 48.3 -62.3 -44.0 -40.2 45.0 -10.6 104 104 A T H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.896 111.6 49.2 -71.2 -34.8 -39.0 48.6 -10.5 105 105 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.875 111.2 51.9 -64.7 -40.5 -35.8 47.9 -12.5 106 106 A E H X S+ 0 0 102 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.940 109.8 48.9 -57.4 -50.3 -38.1 46.0 -15.1 107 107 A K H X S+ 0 0 72 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.820 112.9 46.6 -61.2 -37.4 -40.3 49.0 -15.3 108 108 A L H <>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 4,-0.2 0.886 110.1 52.6 -73.8 -37.8 -37.4 51.4 -15.8 109 109 A K H ><5S+ 0 0 82 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.863 109.7 50.9 -65.5 -33.4 -35.9 49.1 -18.4 110 110 A S H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 100.6 59.9 -73.7 -33.1 -39.2 49.1 -20.3 111 111 A A T 3<5S- 0 0 30 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.496 124.1-108.0 -69.7 -3.3 -39.5 52.9 -20.3 112 112 A G T < 5 + 0 0 53 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.653 67.8 148.7 84.8 19.7 -36.2 52.7 -22.2 113 113 A Y < - 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