==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-09 3IK1 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR C.POZZI,L.CANCIAN,R.LEONE,R.LUCIANI,S.FERRARI,S.MANGANI,M.P. . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.9 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 . 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 . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 2 1 0 0 1 1 1 0 0 0 0 2 0 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 134 0, 0.0 3,-2.5 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 147.1 -53.7 7.3 33.8 2 2 A L T 3 + 0 0 30 1,-0.3 4,-0.1 40,-0.2 37,-0.1 0.736 360.0 44.5 -39.5 -39.6 -51.0 9.9 33.7 3 3 A E T >> S+ 0 0 6 1,-0.2 3,-1.5 2,-0.1 4,-1.3 0.432 77.7 103.1 -96.5 -2.1 -48.5 7.7 32.0 4 4 A Q H <> S+ 0 0 64 -3,-2.5 4,-3.5 1,-0.3 5,-0.3 0.872 74.8 63.5 -51.4 -37.6 -50.7 6.1 29.3 5 5 A P H 3> S+ 0 0 34 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.855 101.4 51.6 -58.9 -30.8 -49.1 8.4 26.6 6 6 A Y H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.935 112.2 44.7 -67.8 -44.0 -45.8 6.7 27.3 7 7 A L H X S+ 0 0 7 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.933 112.8 51.9 -67.3 -40.9 -47.4 3.2 26.8 8 8 A D H X S+ 0 0 67 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 0.857 109.4 50.1 -59.8 -38.0 -49.3 4.4 23.6 9 9 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.909 112.1 47.0 -65.6 -45.2 -46.1 5.8 22.1 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 114.7 46.4 -61.7 -43.9 -44.3 2.5 22.8 11 11 A K H X S+ 0 0 82 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.937 110.9 52.9 -67.5 -43.3 -47.1 0.5 21.4 12 12 A K H X S+ 0 0 83 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.896 110.2 47.0 -56.6 -45.1 -47.4 2.8 18.3 13 13 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.887 113.6 50.0 -65.7 -35.9 -43.7 2.4 17.5 14 14 A L H < S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.917 122.5 30.9 -63.5 -44.6 -44.1 -1.4 18.0 15 15 A D H < S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.633 138.9 16.8 -90.2 -20.8 -47.2 -1.6 15.7 16 16 A E H < S+ 0 0 117 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.207 86.2 130.6-140.8 13.6 -46.5 1.2 13.2 17 17 A G < - 0 0 16 -4,-1.3 2,-0.4 -5,-0.2 14,-0.2 -0.416 54.0-122.8 -73.9 153.2 -42.8 2.1 13.4 18 18 A H E -A 30 0A 126 12,-3.1 12,-1.7 -2,-0.1 2,-0.4 -0.794 23.6-124.3 -96.3 138.7 -40.6 2.3 10.3 19 19 A F E +A 29 0A 108 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.664 31.5 174.1 -84.2 134.7 -37.5 0.2 10.1 20 20 A K E -A 28 0A 106 8,-2.1 8,-2.3 -2,-0.4 6,-0.1 -0.998 34.4-116.7-136.8 133.7 -34.1 1.9 9.6 21 21 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 6,-0.3 -0.377 37.8-140.4 -64.4 147.1 -30.7 0.2 9.6 22 22 A D >> - 0 0 32 4,-0.1 4,-1.0 1,-0.1 3,-0.6 -0.897 16.9-114.0-117.8 145.6 -28.6 1.7 12.4 23 23 A R T 34 S+ 0 0 236 -2,-0.4 2,-1.9 1,-0.3 -1,-0.1 0.851 110.3 60.1 -31.2 -59.6 -24.9 2.7 12.7 24 24 A T T 34 S- 0 0 81 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 -0.141 125.0 -93.9 -76.4 45.5 -24.0 -0.0 15.3 25 25 A H T <4 S+ 0 0 149 -2,-1.9 -2,-0.2 -3,-0.6 -1,-0.1 0.896 102.8 87.2 37.2 59.1 -25.1 -2.9 12.9 26 26 A T < - 0 0 50 -4,-1.0 2,-0.2 -6,-0.1 -4,-0.1 -0.032 69.5-127.2-135.3-113.6 -28.6 -3.1 14.4 27 27 A G - 0 0 0 -6,-0.3 235,-2.6 -2,-0.1 2,-0.3 -0.730 8.4-136.8 157.1 151.3 -31.7 -1.2 13.4 28 28 A T E -AB 20 261A 9 -8,-2.3 -8,-2.1 233,-0.2 2,-0.4 -0.857 7.5-142.3-122.3 160.9 -34.5 0.9 14.9 29 29 A Y E +AB 19 260A 80 231,-2.3 231,-2.1 -2,-0.3 2,-0.3 -0.991 39.8 165.2-114.2 133.4 -38.2 1.2 14.5 30 30 A S E -AB 18 259A 4 -12,-1.7 -12,-3.1 -2,-0.4 2,-0.3 -0.949 30.6-155.7-145.1 159.0 -39.3 4.9 14.7 31 31 A I E - B 0 258A 15 227,-1.6 227,-1.9 -2,-0.3 2,-0.4 -0.950 21.3-131.9-130.8 159.8 -41.9 7.4 14.1 32 32 A F E S+ B 0 257A 165 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.898 76.3 11.4-114.3 133.6 -41.6 11.2 13.5 33 33 A G S S+ 0 0 44 223,-1.9 -1,-0.1 -2,-0.4 223,-0.1 0.525 74.4 158.4 87.3 7.8 -43.5 14.0 15.2 34 34 A H - 0 0 37 222,-0.5 221,-3.3 -3,-0.1 2,-0.4 -0.329 21.5-159.5 -65.6 143.6 -45.2 12.2 18.1 35 35 A Q E -C 254 0A 77 219,-0.2 2,-0.4 -2,-0.0 219,-0.2 -0.982 8.3-166.0-122.8 144.2 -46.4 14.2 21.1 36 36 A M E -C 253 0A 1 217,-3.1 217,-3.4 -2,-0.4 2,-0.4 -0.970 6.4-159.7-122.6 142.0 -47.2 13.3 24.7 37 37 A R E -C 252 0A 132 -2,-0.4 2,-0.4 215,-0.2 215,-0.2 -0.952 6.6-173.8-120.1 149.7 -49.0 15.4 27.3 38 38 A F E -C 251 0A 3 213,-2.0 213,-2.7 -2,-0.4 2,-0.9 -0.974 19.5-144.3-141.0 115.9 -49.1 15.1 31.1 39 39 A D E > -C 250 0A 50 -2,-0.4 3,-1.6 211,-0.2 211,-0.2 -0.744 13.6-158.7 -82.2 112.2 -51.3 17.2 33.3 40 40 A L G > S+ 0 0 5 209,-2.3 3,-0.6 -2,-0.9 -1,-0.2 0.557 83.7 70.7 -76.4 -9.7 -49.0 17.7 36.2 41 41 A S G 3 S+ 0 0 79 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.642 92.2 60.6 -74.8 -13.6 -51.8 18.5 38.6 42 42 A K G < S- 0 0 158 -3,-1.6 237,-0.3 1,-0.4 2,-0.2 0.496 124.3 -65.9 -92.5 -4.4 -52.9 14.8 38.4 43 43 A G < - 0 0 11 -3,-0.6 -1,-0.4 -4,-0.2 238,-0.2 -0.765 64.3 -60.4 141.3 174.5 -49.6 13.5 39.9 44 44 A F - 0 0 2 236,-2.8 2,-2.5 -2,-0.2 187,-0.1 -0.823 45.5-130.9 -95.2 124.2 -46.0 13.3 39.0 45 45 A P + 0 0 4 0, 0.0 2,-0.6 0, 0.0 189,-0.1 -0.206 53.4 141.1 -79.7 56.4 -45.3 11.3 35.8 46 46 A L - 0 0 1 -2,-2.5 -43,-0.1 234,-0.1 182,-0.1 -0.861 65.5-101.3 -89.4 130.0 -42.6 9.0 37.0 47 47 A L - 0 0 2 -2,-0.6 5,-0.4 180,-0.2 3,-0.3 -0.250 34.2-172.7 -59.7 127.1 -43.4 5.7 35.3 48 48 A T S S+ 0 0 0 229,-0.2 259,-2.8 1,-0.2 -1,-0.2 0.717 79.8 68.9 -81.9 -22.0 -45.1 3.1 37.6 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.438 114.5 18.5 -82.4 1.1 -44.8 0.3 35.0 50 50 A K S S- 0 0 18 -3,-0.3 2,-0.2 257,-0.1 259,-0.2 -0.884 93.4-103.2-164.1 135.0 -41.1 0.1 35.4 51 51 A K - 0 0 118 256,-0.3 259,-0.3 -2,-0.3 -3,-0.1 -0.466 35.9-170.0 -67.7 127.2 -39.0 1.4 38.3 52 52 A V - 0 0 2 -5,-0.4 2,-1.1 -2,-0.2 -2,-0.0 -0.984 26.7-119.8-117.0 129.1 -37.2 4.6 37.2 53 53 A P >> - 0 0 54 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.532 25.6-173.0 -76.9 97.5 -34.5 5.9 39.7 54 54 A F H 3> S+ 0 0 19 -2,-1.1 4,-2.9 1,-0.3 5,-0.2 0.823 78.4 63.7 -61.8 -30.1 -35.6 9.3 40.8 55 55 A G H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.823 101.7 49.7 -63.7 -36.7 -32.4 10.1 42.7 56 56 A L H <> S+ 0 0 44 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.835 112.3 48.1 -69.2 -33.8 -30.3 9.9 39.5 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.938 111.7 49.8 -70.1 -51.9 -32.8 12.3 37.8 58 58 A K H X S+ 0 0 30 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.948 114.4 44.3 -49.9 -52.6 -32.8 14.7 40.7 59 59 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 113.7 48.7 -69.4 -42.4 -29.0 14.8 40.9 60 60 A E H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 112.7 49.1 -57.5 -43.6 -28.6 15.2 37.1 61 61 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 110.7 49.6 -66.6 -39.1 -31.1 18.0 37.0 62 62 A L H X S+ 0 0 1 -4,-2.5 4,-0.9 1,-0.2 6,-0.2 0.903 107.7 55.8 -67.1 -38.0 -29.4 19.8 39.9 63 63 A W H ><>S+ 0 0 0 -4,-2.3 5,-1.7 -5,-0.2 3,-1.1 0.944 109.4 44.9 -50.9 -55.7 -26.1 19.4 38.1 64 64 A F H ><5S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.890 108.8 58.0 -54.5 -45.2 -27.6 21.2 35.0 65 65 A L H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.586 102.9 53.1 -67.7 -15.9 -29.1 23.9 37.2 66 66 A H T <<5S- 0 0 75 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.372 112.4-119.4 -89.5 -5.9 -25.6 24.8 38.7 67 67 A G T < 5 + 0 0 23 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.2 0.642 64.5 153.6 70.0 17.5 -24.3 25.2 35.2 68 68 A D < + 0 0 44 -5,-1.7 79,-0.3 -6,-0.2 -1,-0.2 -0.538 30.3 173.5 -88.1 136.0 -21.9 22.4 36.1 69 69 A T + 0 0 17 -2,-0.2 73,-3.3 78,-0.1 2,-0.6 0.125 48.8 108.1-120.5 12.7 -20.4 20.1 33.5 70 70 A N B >> -G 141 0B 27 71,-0.3 3,-1.2 1,-0.1 4,-0.5 -0.857 61.7-148.2 -93.8 119.8 -18.0 18.3 35.8 71 71 A I H >> S+ 0 0 0 69,-3.3 4,-3.0 -2,-0.6 3,-1.0 0.767 85.9 85.8 -60.0 -16.9 -19.0 14.7 36.5 72 72 A R H 3> S+ 0 0 55 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.899 86.1 52.8 -46.2 -51.7 -17.4 15.0 40.0 73 73 A F H <4 S+ 0 0 31 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.867 111.5 46.8 -52.9 -38.6 -20.6 16.5 41.4 74 74 A L H X<>S+ 0 0 0 -3,-1.0 5,-2.2 -4,-0.5 3,-2.1 0.935 108.1 54.1 -72.3 -46.8 -22.5 13.5 40.0 75 75 A L H ><5S+ 0 0 12 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.930 104.9 57.2 -50.4 -43.4 -19.9 11.0 41.4 76 76 A Q T 3<5S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.550 108.9 45.0 -65.1 -9.4 -20.6 12.7 44.8 77 77 A H T < 5S- 0 0 51 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.289 120.4-108.3-116.5 6.7 -24.3 11.9 44.5 78 78 A R T < 5S+ 0 0 205 -3,-2.0 2,-0.6 -4,-0.4 -3,-0.2 0.816 72.9 140.6 76.0 36.5 -23.6 8.3 43.4 79 79 A N < + 0 0 0 -5,-2.2 -1,-0.2 -8,-0.2 3,-0.2 -0.946 23.1 169.7-119.0 115.2 -24.7 9.0 39.8 80 80 A H > + 0 0 94 -2,-0.6 3,-1.4 1,-0.1 4,-0.4 0.307 44.0 112.1-108.0 8.7 -22.8 7.4 37.1 81 81 A I T 3 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.704 86.0 37.3 -64.1 -19.0 -25.1 8.2 34.2 82 82 A W T >> S+ 0 0 26 -3,-0.2 3,-0.8 1,-0.1 4,-0.7 0.535 88.8 100.4-103.1 -4.1 -22.6 10.6 32.5 83 83 A D H X> S+ 0 0 3 -3,-1.4 4,-3.2 1,-0.2 3,-1.1 0.797 70.9 62.5 -48.0 -45.6 -19.4 8.6 33.3 84 84 A E H 3> S+ 0 0 91 -4,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.831 98.9 50.9 -62.6 -41.2 -18.9 7.0 30.0 85 85 A W H <4 S+ 0 0 103 -3,-0.8 4,-0.5 2,-0.2 -1,-0.3 0.690 117.4 42.4 -69.6 -22.1 -18.4 10.1 27.8 86 86 A A H XX S+ 0 0 1 -3,-1.1 4,-1.3 -4,-0.7 3,-0.5 0.829 112.3 51.8 -86.0 -45.3 -15.8 11.3 30.2 87 87 A F H >X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 3,-0.5 0.913 108.4 55.9 -53.2 -42.0 -14.2 7.9 30.6 88 88 A E H 3< S+ 0 0 48 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.801 105.0 49.6 -60.5 -36.2 -14.1 7.9 26.8 89 89 A K H <4 S+ 0 0 113 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.696 114.4 43.7 -82.8 -20.6 -12.1 11.2 26.6 90 90 A W H X< S+ 0 0 21 -4,-1.3 3,-1.3 -3,-0.5 6,-0.3 0.809 110.0 54.6 -88.2 -35.7 -9.4 10.1 29.1 91 91 A V T 3< S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.648 106.3 54.5 -72.0 -14.0 -9.0 6.6 27.7 92 92 A K T 3 S+ 0 0 133 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.431 100.4 90.2 -95.8 -1.3 -8.3 8.2 24.3 93 93 A S S X S- 0 0 29 -3,-1.3 3,-0.6 1,-0.1 -3,-0.1 -0.296 83.9-110.3-104.1-179.0 -5.5 10.4 25.8 94 94 A D T 3 S+ 0 0 150 1,-0.2 -4,-0.1 -2,-0.1 -1,-0.1 0.719 108.4 61.9 -81.1 -28.1 -1.8 10.3 26.4 95 95 A E T 3 S+ 0 0 80 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.582 81.6 106.6 -76.7 -10.9 -1.8 10.1 30.2 96 96 A Y < + 0 0 27 -3,-0.6 -5,-0.0 -6,-0.3 0, 0.0 -0.586 38.9 172.3 -82.9 123.6 -3.6 6.7 30.0 97 97 A H + 0 0 169 -2,-0.4 -1,-0.1 0, 0.0 3,-0.1 -0.318 42.6 86.4-130.5 51.4 -1.6 3.5 30.8 98 98 A G S S- 0 0 30 1,-0.3 -2,-0.0 -7,-0.1 0, 0.0 -0.654 81.6 -32.6-131.3-170.3 -3.9 0.5 31.0 99 99 A P - 0 0 65 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.055 61.6-109.3 -48.3 157.5 -5.4 -2.2 28.6 100 100 A D + 0 0 147 -3,-0.1 4,-0.1 1,-0.0 -2,-0.1 0.905 45.7 164.2 -63.8 -58.6 -6.3 -1.3 25.0 101 101 A M > - 0 0 6 1,-0.2 3,-0.7 2,-0.1 2,-0.4 0.800 13.5-173.9 37.3 60.0 -10.2 -1.2 24.9 102 102 A T T 3 S+ 0 0 108 1,-0.3 5,-0.2 2,-0.1 -1,-0.2 -0.690 80.6 4.3 -74.4 133.0 -10.9 0.6 21.6 103 103 A D T >> S- 0 0 118 -2,-0.4 4,-1.4 1,-0.1 3,-0.9 0.968 77.4-177.6 40.8 68.0 -14.7 1.0 21.6 104 104 A F T <4 S+ 0 0 18 -3,-0.7 4,-0.1 1,-0.2 -1,-0.1 0.577 73.5 70.0 -59.3 -16.5 -15.1 -0.5 25.1 105 105 A G T 3> S+ 0 0 45 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.778 100.4 41.0 -79.2 -32.4 -18.9 0.0 24.6 106 106 A H T <4 S+ 0 0 97 -3,-0.9 3,-0.2 2,-0.2 -2,-0.2 0.925 120.4 42.7 -76.9 -51.9 -19.4 -2.7 21.9 107 107 A R T >< S+ 0 0 83 -4,-1.4 3,-0.6 -5,-0.2 4,-0.3 0.579 97.4 92.6 -66.5 -9.7 -17.0 -5.1 23.7 108 108 A S T 34 S+ 0 0 29 1,-0.3 2,-1.2 -5,-0.2 -1,-0.2 0.961 92.1 27.0 -52.2 -74.6 -18.8 -4.0 26.9 109 109 A Q T 3< S+ 0 0 158 -4,-0.6 -1,-0.3 -3,-0.2 2,-0.1 -0.700 110.4 72.6 -95.6 82.2 -21.6 -6.6 27.1 110 110 A K S < S+ 0 0 136 -2,-1.2 -2,-0.1 -3,-0.6 -3,-0.1 -0.103 91.3 27.0-140.9-100.9 -20.0 -9.5 25.3 111 111 A D > - 0 0 62 -4,-0.3 4,-1.4 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