==== 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 TRANSFERASE 05-DEC-95 1TSZ . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 3 1 0 0 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 0 1 0 0 0 1 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 1 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 0 127 0, 0.0 3,-2.1 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 142.0 4.2 28.1 -44.8 2 2 A L T 3 + 0 0 31 1,-0.3 4,-0.1 40,-0.2 37,-0.1 0.750 360.0 49.1 -44.8 -45.3 3.2 31.8 -45.1 3 3 A E T >> S+ 0 0 6 1,-0.2 3,-1.6 2,-0.1 4,-1.3 0.473 78.0 104.1 -82.5 0.0 6.6 33.0 -46.6 4 4 A Q H <> + 0 0 62 -3,-2.1 4,-3.3 1,-0.3 5,-0.3 0.874 69.9 64.0 -50.1 -47.0 6.8 30.4 -49.3 5 5 A P H 3> S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.846 103.9 50.0 -47.5 -35.4 5.8 32.8 -52.1 6 6 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.5 2,-0.2 3,-0.3 0.955 110.7 47.2 -66.6 -50.0 9.0 34.7 -51.3 7 7 A L H X S+ 0 0 4 -4,-1.3 4,-2.3 1,-0.3 -1,-0.2 0.876 112.4 52.0 -59.3 -33.5 11.1 31.5 -51.4 8 8 A D H X S+ 0 0 72 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.3 0.846 107.2 51.5 -72.0 -32.2 9.4 30.7 -54.7 9 9 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 5,-0.2 0.917 109.9 50.1 -68.5 -43.7 10.2 34.1 -56.1 10 10 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.932 113.3 45.1 -60.2 -47.7 13.9 33.6 -55.2 11 11 A K H >X S+ 0 0 107 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.982 113.3 51.3 -59.6 -55.2 13.9 30.2 -56.9 12 12 A K H >X S+ 0 0 81 -4,-2.7 4,-3.0 1,-0.3 3,-1.2 0.858 108.6 48.7 -50.5 -48.9 12.1 31.5 -59.9 13 13 A V H 3X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.3 -1,-0.3 0.861 108.5 57.4 -62.9 -32.6 14.4 34.5 -60.5 14 14 A L H << S+ 0 0 41 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.587 119.8 27.0 -71.9 -17.5 17.3 32.0 -60.2 15 15 A D H << S+ 0 0 126 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.2 0.745 132.3 32.0-109.6 -50.0 16.1 29.8 -63.0 16 16 A E H < S+ 0 0 106 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.443 88.4 116.7 -91.2 -2.4 14.0 32.1 -65.3 17 17 A G < - 0 0 20 -4,-1.3 2,-0.4 -5,-0.4 14,-0.2 -0.364 53.5-150.3 -65.2 144.5 16.1 35.3 -64.7 18 18 A H E -A 30 0A 128 12,-1.4 12,-1.8 -2,-0.0 2,-0.1 -0.891 30.3 -98.3-111.4 148.7 17.7 36.6 -67.8 19 19 A F E -A 29 0A 136 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.475 50.2-175.9 -68.5 142.7 21.0 38.5 -67.4 20 20 A K E -A 28 0A 88 8,-2.1 8,-1.4 -2,-0.1 2,-0.5 -0.925 29.2-111.7-140.8 153.4 20.4 42.3 -67.4 21 21 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.801 35.7-161.5 -86.2 128.6 22.4 45.5 -67.3 22 22 A D - 0 0 37 -2,-0.5 2,-2.9 4,-0.0 5,-0.0 -0.809 33.3-109.7-111.1 152.2 21.9 47.4 -64.1 23 23 A R S S+ 0 0 186 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 -0.359 109.0 53.6 -73.7 60.4 22.7 51.1 -63.4 24 24 A T S S- 0 0 41 -2,-2.9 -1,-0.2 2,-0.0 3,-0.1 0.281 101.0-107.3-150.2 -80.2 25.5 49.8 -61.2 25 25 A H S S+ 0 0 169 1,-0.5 2,-0.7 0, 0.0 291,-0.1 -0.209 94.7 94.5 156.1 -38.8 28.3 47.4 -62.4 26 26 A T S S- 0 0 14 289,-0.2 -1,-0.5 -5,-0.0 -4,-0.0 -0.753 76.9-139.7 -78.3 111.8 26.9 44.5 -60.4 27 27 A G - 0 0 10 -2,-0.7 235,-2.9 -3,-0.1 236,-0.4 -0.212 15.0-147.1 -68.3 169.4 24.7 42.7 -62.9 28 28 A T E -AB 20 261A 1 -8,-1.4 -8,-2.1 233,-0.3 2,-0.5 -0.828 14.3-135.3-134.8 166.3 21.4 41.3 -62.1 29 29 A Y E -AB 19 260A 61 231,-1.7 231,-2.3 -2,-0.3 2,-0.3 -0.977 42.0-180.0-117.3 132.2 19.1 38.3 -63.1 30 30 A S E -AB 18 259A 5 -12,-1.8 -12,-1.4 -2,-0.5 2,-0.3 -0.783 25.8-166.6-133.5 175.4 15.6 39.7 -63.6 31 31 A I E - B 0 258A 14 227,-1.4 227,-1.0 -2,-0.3 2,-0.4 -0.915 19.2-135.0-150.2 166.6 12.1 38.7 -64.5 32 32 A F E + B 0 257A 158 -2,-0.3 225,-0.2 1,-0.3 224,-0.2 -0.995 68.8 16.7-137.0 127.3 9.1 40.9 -65.4 33 33 A G E + 0 0 49 223,-1.9 2,-0.3 222,-0.4 -1,-0.3 0.842 66.5 156.8 80.1 104.4 5.6 40.6 -64.1 34 34 A H E - B 0 255A 40 221,-1.2 221,-2.4 -3,-0.1 2,-0.4 -0.976 21.9-158.1-158.7 144.1 5.0 38.5 -61.0 35 35 A Q E + B 0 254A 102 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.980 12.2 170.4-133.4 135.2 2.3 38.2 -58.3 36 36 A M E - B 0 253A 9 217,-1.7 217,-3.4 -2,-0.4 2,-0.3 -0.992 12.7-160.5-142.0 135.6 2.4 36.8 -54.8 37 37 A R E - B 0 252A 128 -2,-0.3 2,-0.4 215,-0.3 215,-0.3 -0.874 6.6-153.1-119.1 153.1 -0.2 37.1 -52.1 38 38 A F E - B 0 251A 4 213,-2.4 213,-1.7 -2,-0.3 2,-1.2 -0.954 15.6-139.7-129.5 109.4 -0.1 36.7 -48.3 39 39 A D E > - B 0 250A 64 -2,-0.4 3,-2.0 211,-0.2 211,-0.2 -0.551 17.5-163.2 -65.6 99.1 -3.2 35.6 -46.3 40 40 A L G > S+ 0 0 7 209,-2.0 3,-1.0 -2,-1.2 -1,-0.2 0.601 82.2 71.3 -65.4 -11.7 -2.7 38.0 -43.3 41 41 A S G 3 S+ 0 0 65 208,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.735 92.8 59.9 -75.4 -17.6 -5.1 36.0 -41.2 42 42 A K G < S- 0 0 146 -3,-2.0 237,-0.3 1,-0.3 -1,-0.2 0.364 124.4 -68.1 -91.2 6.2 -2.5 33.3 -41.2 43 43 A G < - 0 0 10 -3,-1.0 -1,-0.3 -5,-0.1 238,-0.2 -0.493 63.1 -59.1 127.9 163.4 0.2 35.4 -39.5 44 44 A F - 0 0 2 236,-2.6 2,-2.5 -2,-0.2 187,-0.1 -0.708 48.1-130.7 -86.1 116.0 2.4 38.4 -40.1 45 45 A P + 0 0 4 0, 0.0 2,-0.6 0, 0.0 189,-0.1 -0.328 52.7 143.7 -64.2 62.5 4.7 37.7 -43.2 46 46 A L - 0 0 2 -2,-2.5 -43,-0.1 184,-0.1 182,-0.1 -0.934 63.8-101.4-103.1 118.6 8.0 38.8 -41.7 47 47 A L - 0 0 3 -2,-0.6 5,-0.4 180,-0.3 -1,-0.0 -0.144 37.5-176.1 -42.5 129.8 10.6 36.4 -43.1 48 48 A T S S+ 0 0 0 229,-0.1 259,-2.7 258,-0.1 -1,-0.2 0.653 79.3 66.6-101.5 -24.0 11.5 33.7 -40.6 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 225,-0.1 0.373 114.9 29.5 -79.0 12.1 14.3 32.1 -42.7 50 50 A K S S- 0 0 16 -4,-0.1 2,-0.6 259,-0.1 259,-0.2 -0.878 89.5-110.4-169.3 132.6 16.2 35.4 -42.2 51 51 A K - 0 0 119 256,-0.6 259,-0.2 257,-0.5 -3,-0.1 -0.537 36.0-178.4 -71.1 110.7 16.3 38.0 -39.4 52 52 A V - 0 0 2 -2,-0.6 2,-0.9 -5,-0.4 -2,-0.0 -0.956 30.4-120.9-115.6 118.9 14.6 41.3 -40.6 53 53 A P >> - 0 0 61 0, 0.0 4,-1.1 0, 0.0 3,-0.8 -0.375 25.0-173.0 -61.2 96.4 14.6 44.2 -38.1 54 54 A F H 3> S+ 0 0 19 -2,-0.9 4,-3.5 1,-0.2 3,-0.4 0.888 78.6 67.5 -55.4 -47.3 10.9 45.2 -37.6 55 55 A G H 3> S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.839 99.7 51.1 -43.5 -43.7 11.8 48.2 -35.6 56 56 A L H <> S+ 0 0 48 -3,-0.8 4,-2.4 2,-0.2 -1,-0.3 0.930 115.3 39.6 -63.9 -45.4 13.2 49.9 -38.7 57 57 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.872 113.5 56.9 -72.4 -34.2 10.1 49.2 -40.9 58 58 A K H X S+ 0 0 25 -4,-3.5 4,-1.0 1,-0.2 -2,-0.2 0.924 112.7 40.4 -61.9 -44.9 7.9 50.0 -37.9 59 59 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.3 3,-0.4 0.917 112.6 53.9 -72.5 -43.1 9.5 53.4 -37.6 60 60 A E H X S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.909 108.0 50.5 -58.7 -43.5 9.7 54.1 -41.4 61 61 A L H X S+ 0 0 6 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.794 109.7 49.6 -67.3 -28.4 6.0 53.4 -41.9 62 62 A L H X S+ 0 0 3 -4,-1.0 4,-2.1 -3,-0.4 6,-0.3 0.846 106.7 56.8 -75.6 -31.5 5.0 55.8 -39.0 63 63 A W H <>S+ 0 0 0 -4,-1.9 5,-1.3 2,-0.2 -2,-0.2 0.911 112.6 42.5 -61.0 -42.5 7.3 58.4 -40.7 64 64 A F H ><5S+ 0 0 10 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.975 112.2 51.5 -68.7 -54.7 5.1 57.8 -43.8 65 65 A L H 3<5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.759 105.8 57.5 -55.1 -27.6 1.8 57.8 -41.9 66 66 A H T 3<5S- 0 0 58 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.368 111.3-118.4 -84.6 1.8 2.8 61.2 -40.2 67 67 A G T < 5 + 0 0 26 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.662 63.8 157.1 69.5 11.6 3.2 62.9 -43.5 68 68 A D < + 0 0 47 -5,-1.3 79,-0.3 -6,-0.3 -1,-0.2 -0.369 27.4 167.9 -73.1 147.8 6.8 63.3 -42.3 69 69 A T + 0 0 20 78,-0.2 73,-2.7 -3,-0.1 2,-0.5 0.131 45.1 106.7-142.5 11.9 9.7 63.9 -44.8 70 70 A N B >> -F 141 0B 27 71,-0.2 3,-1.0 1,-0.1 4,-0.5 -0.881 64.3-141.0-106.7 134.1 12.5 64.9 -42.4 71 71 A I H >> S+ 0 0 0 69,-3.1 4,-2.7 -2,-0.5 3,-0.8 0.775 92.2 79.2 -54.9 -31.5 15.4 62.7 -41.5 72 72 A R H 3> S+ 0 0 51 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.885 88.3 55.3 -48.2 -45.1 15.3 63.9 -37.9 73 73 A F H <4 S+ 0 0 28 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.882 113.2 41.9 -56.9 -43.3 12.3 61.6 -37.1 74 74 A L H X<>S+ 0 0 0 -3,-0.8 5,-2.9 -4,-0.5 3,-1.9 0.898 114.2 48.7 -72.0 -43.7 14.3 58.6 -38.3 75 75 A L H ><5S+ 0 0 10 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.863 104.7 61.3 -63.6 -31.0 17.6 59.5 -36.8 76 76 A Q T 3<5S+ 0 0 119 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.308 112.4 39.5 -74.8 6.1 15.6 60.1 -33.6 77 77 A H T < 5S- 0 0 65 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.244 117.0-108.0-139.7 12.4 14.8 56.3 -34.0 78 78 A R T < 5S+ 0 0 208 -3,-1.3 2,-0.8 1,-0.2 -3,-0.2 0.698 72.0 143.9 63.6 23.9 18.2 55.0 -35.2 79 79 A N < + 0 0 0 -5,-2.9 -1,-0.2 -8,-0.1 3,-0.2 -0.832 19.0 168.4 -95.9 111.2 16.8 54.5 -38.6 80 80 A H > + 0 0 95 -2,-0.8 3,-1.0 1,-0.1 4,-0.4 0.244 41.8 109.4-110.5 18.0 19.5 55.3 -41.1 81 81 A I T 3 S+ 0 0 69 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.831 85.6 38.7 -62.5 -36.4 17.9 53.9 -44.3 82 82 A W T >> S+ 0 0 25 -3,-0.2 4,-1.4 1,-0.2 3,-0.5 0.410 86.6 103.2 -96.8 3.7 17.3 57.4 -45.8 83 83 A D H <> S+ 0 0 4 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.828 76.1 52.8 -55.7 -40.0 20.6 58.9 -44.7 84 84 A E H 3> S+ 0 0 75 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.843 104.5 55.5 -67.3 -35.9 22.4 58.7 -48.1 85 85 A W H <> S+ 0 0 55 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.944 117.8 33.3 -64.1 -45.9 19.6 60.5 -50.0 86 86 A A H X S+ 0 0 0 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.876 117.5 54.1 -75.7 -43.7 19.7 63.6 -47.7 87 87 A F H >X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 3,-1.9 0.967 102.8 60.1 -53.8 -54.7 23.4 63.4 -47.0 88 88 A E H 3< S+ 0 0 77 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.871 104.2 47.5 -37.4 -59.3 24.1 63.4 -50.7 89 89 A K H >< S+ 0 0 56 -4,-1.1 3,-0.5 1,-0.2 -1,-0.3 0.727 110.1 56.4 -59.3 -25.7 22.4 66.8 -51.2 90 90 A W H X< S+ 0 0 16 -3,-1.9 3,-1.1 -4,-1.0 6,-0.3 0.903 100.3 53.4 -75.9 -43.8 24.4 68.1 -48.2 91 91 A V T 3< S+ 0 0 31 -4,-2.0 -1,-0.2 -3,-0.3 10,-0.2 0.320 102.8 64.4 -75.2 13.1 27.8 67.3 -49.6 92 92 A K T < S+ 0 0 167 -3,-0.5 2,-0.3 -5,-0.3 -1,-0.3 -0.180 88.0 98.7-123.2 33.9 26.6 69.3 -52.6 93 93 A S S < S- 0 0 22 -3,-1.1 3,-0.3 1,-0.1 -3,-0.0 -0.843 78.3-127.7-121.2 160.6 26.4 72.5 -50.7 94 94 A D S S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.684 113.3 63.7 -76.7 -20.7 28.6 75.6 -50.3 95 95 A E S S+ 0 0 90 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.784 90.6 82.6 -70.3 -27.8 28.2 75.0 -46.5 96 96 A Y + 0 0 28 -6,-0.3 -5,-0.0 -3,-0.3 0, 0.0 -0.646 44.5 148.4 -81.5 129.7 30.0 71.7 -47.2 97 97 A H + 0 0 158 -2,-0.4 -1,-0.2 2,-0.0 3,-0.1 0.522 38.3 101.9-131.7 -23.1 33.8 72.1 -47.4 98 98 A G S S- 0 0 33 1,-0.1 -2,-0.0 23,-0.0 23,-0.0 0.238 83.8 -29.5 -57.8-176.5 35.1 68.8 -46.1 99 99 A P S S- 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.003 73.0-109.7 -40.3 132.3 36.6 65.8 -48.0 100 100 A D - 0 0 114 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.228 32.5-172.1 -66.9 154.0 35.2 65.4 -51.5 101 101 A M - 0 0 21 -10,-0.2 2,-0.5 3,-0.0 3,-0.1 -0.973 10.3-168.3-151.1 130.1 32.9 62.5 -52.5 102 102 A T S S- 0 0 75 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.991 78.2 -30.2-124.0 118.3 31.6 61.4 -56.0 103 103 A D S > S- 0 0 107 -2,-0.5 4,-1.5 3,-0.1 -1,-0.1 0.871 84.8-166.0 30.7 70.5 28.8 58.9 -55.9 104 104 A F T 4 + 0 0 21 2,-0.2 2,-3.1 3,-0.2 3,-0.1 0.175 63.1 53.5 -61.6-170.0 29.9 57.2 -52.7 105 105 A G T >4 S+ 0 0 36 1,-0.3 3,-0.8 2,-0.1 4,-0.5 -0.488 120.4 42.9 73.2 -74.6 28.7 53.8 -51.4 106 106 A H G >> S+ 0 0 94 -2,-3.1 3,-1.8 1,-0.3 4,-0.9 0.963 116.9 47.0 -60.2 -49.5 29.7 52.5 -54.8 107 107 A R G 3< S+ 0 0 118 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.2 0.505 112.5 51.1 -70.1 -3.6 32.8 54.6 -54.3 108 108 A S G <4 S+ 0 0 16 -3,-0.8 3,-0.3 3,-0.1 -1,-0.3 0.377 90.6 78.0-109.6 -4.5 32.9 53.0 -50.9 109 109 A Q T <4 S+ 0 0 76 -3,-1.8 2,-2.3 -4,-0.5 -2,-0.2 0.921 92.1 52.1 -68.3 -48.0 32.6 49.5 -52.2 110 110 A K S < S- 0 0 190 -4,-0.9 -1,-0.3 -5,-0.1 5,-0.1 -0.646 104.7-159.0 -85.8 72.4 36.3 49.6 -53.2 111 111 A D + 0 0 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