==== 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 17-SEP-97 1TVU . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.M.STROUD . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 72.6 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 . 41 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 . 2 0.6 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 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.3 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 2 0 1 1 0 2 0 1 1 1 0 0 0 1 0 0 1 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 1 2 0 0 0 1 0 1 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 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 0 144 0, 0.0 3,-1.3 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 144.6 5.4 25.8 -41.8 2 2 A L T 3 + 0 0 38 1,-0.2 37,-0.1 2,-0.1 45,-0.1 0.878 360.0 51.8 -49.0 -59.0 4.4 29.4 -42.3 3 3 A E T >> S+ 0 0 8 1,-0.2 3,-1.4 2,-0.1 4,-1.0 0.543 79.3 105.0 -63.0 -5.7 7.7 30.9 -43.7 4 4 A Q H <> + 0 0 63 -3,-1.3 4,-3.2 1,-0.3 3,-0.5 0.810 66.8 65.1 -46.0 -45.7 7.8 28.2 -46.4 5 5 A P H 3> S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.881 101.7 50.7 -47.2 -43.4 6.6 30.5 -49.2 6 6 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.871 112.8 44.5 -63.3 -42.3 9.9 32.5 -48.8 7 7 A L H X S+ 0 0 9 -4,-1.0 4,-3.2 -3,-0.5 5,-0.3 0.977 114.7 48.3 -65.7 -52.8 12.0 29.3 -49.0 8 8 A D H X S+ 0 0 83 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.858 111.3 53.9 -52.3 -36.5 9.9 28.1 -51.9 9 9 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.950 112.6 40.8 -64.5 -51.7 10.4 31.6 -53.4 10 10 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 3,-0.3 0.974 113.6 52.6 -60.1 -56.0 14.2 31.5 -53.1 11 11 A K H X S+ 0 0 125 -4,-3.2 4,-1.3 1,-0.3 -1,-0.2 0.854 111.1 50.2 -48.7 -39.7 14.4 27.9 -54.2 12 12 A K H X>S+ 0 0 69 -4,-2.0 4,-2.1 -5,-0.3 5,-0.9 0.884 105.8 52.0 -69.0 -45.3 12.4 28.8 -57.3 13 13 A V H X5S+ 0 0 0 -4,-2.1 4,-1.4 -3,-0.3 -1,-0.2 0.935 106.5 56.0 -59.8 -40.4 14.4 31.8 -58.4 14 14 A L H <5S+ 0 0 44 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.913 119.2 33.4 -55.7 -40.9 17.5 29.6 -58.2 15 15 A D H <5S+ 0 0 101 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.1 0.990 132.3 22.9 -79.6 -72.4 15.7 27.2 -60.7 16 16 A E H <5S+ 0 0 99 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.650 94.4 124.3 -71.9 -16.0 13.5 29.2 -63.1 17 17 A G << - 0 0 12 -4,-1.4 2,-0.4 -5,-0.9 14,-0.2 -0.213 50.1-152.0 -53.7 124.6 15.6 32.3 -62.5 18 18 A H E -A 30 0A 146 12,-2.1 12,-2.7 1,-0.1 -1,-0.1 -0.848 25.0-106.7-101.2 134.5 17.0 33.9 -65.6 19 19 A F E +A 29 0A 127 -2,-0.4 10,-0.2 10,-0.2 -1,-0.1 -0.216 47.4 166.3 -54.3 147.0 20.2 35.9 -65.5 20 20 A K E -A 28 0A 96 8,-1.9 8,-0.8 -3,-0.0 2,-0.0 -0.822 29.4-132.2-168.8 119.9 19.7 39.6 -65.8 21 21 A P E -A 27 0A 89 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.317 28.3-165.6 -73.0 163.5 22.0 42.5 -65.1 22 22 A D - 0 0 37 4,-1.0 6,-0.0 2,-0.5 -2,-0.0 -0.779 37.2 -77.7-139.1-177.3 20.8 45.5 -63.1 23 23 A R S S+ 0 0 142 -2,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.958 120.9 56.1 -44.3 -71.7 21.5 49.1 -62.1 24 24 A T S S- 0 0 11 291,-0.2 2,-2.0 1,-0.2 -2,-0.5 -0.599 108.4-119.1 -64.5 117.9 24.2 48.2 -59.5 25 25 A H S S+ 0 0 180 -2,-0.5 -1,-0.2 -4,-0.1 2,-0.2 0.135 76.7 119.0 -57.8 27.7 26.3 46.3 -62.0 26 26 A T - 0 0 34 -2,-2.0 -4,-1.0 289,-0.1 2,-0.2 -0.482 69.2-110.6 -86.5 157.8 26.0 43.0 -60.0 27 27 A G E -A 21 0A 13 -6,-0.2 235,-2.9 -2,-0.2 2,-0.3 -0.621 36.1-171.7 -88.6 155.0 24.3 40.1 -61.8 28 28 A T E -AB 20 261A 2 -8,-0.8 -8,-1.9 233,-0.3 2,-0.5 -0.995 22.9-133.8-147.8 146.1 20.9 38.8 -60.6 29 29 A Y E -AB 19 260A 72 231,-1.8 231,-1.7 -2,-0.3 2,-0.3 -0.911 37.7-163.2 -99.8 127.9 18.7 35.9 -61.3 30 30 A S E -AB 18 259A 12 -12,-2.7 -12,-2.1 -2,-0.5 2,-0.3 -0.747 31.1-178.0-120.9 160.8 15.1 37.0 -62.0 31 31 A I E - B 0 258A 15 227,-1.5 227,-1.8 -2,-0.3 2,-0.6 -0.932 24.5-145.5-146.4 125.6 11.4 35.9 -62.1 32 32 A F E S+ B 0 257A 167 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.896 70.2 18.7-100.8 124.7 8.8 38.5 -63.1 33 33 A G E + 0 0 43 223,-2.3 2,-0.3 -2,-0.6 223,-0.2 0.671 67.0 153.1 85.6 111.9 5.5 38.2 -61.4 34 34 A H E - B 0 255A 48 221,-1.0 221,-3.9 -3,-0.0 2,-0.4 -0.886 19.8-165.2-166.1 143.0 5.0 36.1 -58.2 35 35 A Q E - B 0 254A 99 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.998 6.4-166.7-138.7 134.6 2.6 36.3 -55.4 36 36 A M E - B 0 253A 9 217,-2.4 217,-2.2 -2,-0.4 2,-0.5 -0.940 10.1-139.6-126.1 153.0 2.8 34.6 -52.1 37 37 A R E - B 0 252A 125 -2,-0.3 2,-0.5 215,-0.2 215,-0.2 -0.927 14.6-179.2-120.6 125.3 0.3 34.0 -49.3 38 38 A F E - B 0 251A 1 213,-2.6 213,-3.0 -2,-0.5 2,-1.4 -0.969 21.2-145.3-120.3 120.7 0.8 34.2 -45.5 39 39 A D > - 0 0 53 -2,-0.5 3,-2.1 211,-0.2 4,-0.4 -0.694 10.9-161.1 -84.7 92.9 -2.1 33.4 -43.1 40 40 A L T 3 S+ 0 0 5 -2,-1.4 210,-0.2 209,-0.5 -1,-0.2 0.452 81.5 73.3 -55.5 0.9 -1.3 35.9 -40.3 41 41 A S T 3 S+ 0 0 59 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.312 90.4 54.8 -97.2 3.1 -3.6 33.8 -38.0 42 42 A K S < S- 0 0 165 -3,-2.1 2,-0.2 1,-0.5 -2,-0.2 0.504 124.4 -49.8-110.1 -9.0 -1.1 30.9 -37.6 43 43 A G - 0 0 14 -4,-0.4 -1,-0.5 -3,-0.1 238,-0.2 -0.813 67.9 -67.3 154.3 166.0 1.8 33.0 -36.4 44 44 A F - 0 0 2 236,-3.2 2,-1.6 -2,-0.2 187,-0.1 -0.670 44.8-130.5 -80.6 135.1 3.9 36.0 -37.2 45 45 A P + 0 0 5 0, 0.0 2,-0.8 0, 0.0 186,-0.1 -0.272 56.5 138.9 -83.7 53.2 5.9 35.5 -40.4 46 46 A L - 0 0 2 -2,-1.6 -43,-0.1 234,-0.2 -2,-0.1 -0.886 63.3-107.3 -99.0 108.2 9.3 36.6 -39.0 47 47 A L - 0 0 3 -2,-0.8 5,-0.4 180,-0.2 -1,-0.1 0.074 31.4-171.9 -35.0 133.8 11.8 34.1 -40.6 48 48 A T S S+ 0 0 0 1,-0.1 259,-3.3 229,-0.1 -1,-0.1 0.612 76.9 71.9-105.0 -16.0 13.2 31.5 -38.2 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.3 257,-0.2 -1,-0.1 0.494 112.6 21.6 -76.6 -4.2 15.8 30.0 -40.6 50 50 A K S S- 0 0 17 259,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.880 92.8-103.0-165.8 128.2 17.9 33.2 -40.3 51 51 A K - 0 0 127 256,-1.1 -3,-0.1 -2,-0.3 259,-0.1 -0.398 37.5-170.9 -59.0 114.5 18.0 35.8 -37.6 52 52 A V - 0 0 3 -5,-0.4 2,-2.2 -2,-0.3 3,-0.1 -0.945 28.6-118.6-113.7 123.0 16.1 39.0 -38.7 53 53 A P >> + 0 0 52 0, 0.0 3,-1.7 0, 0.0 4,-1.3 -0.296 34.7 174.0 -60.1 76.3 16.3 42.2 -36.6 54 54 A F H 3> S+ 0 0 13 -2,-2.2 4,-2.9 1,-0.3 5,-0.2 0.798 75.4 68.2 -53.2 -34.2 12.6 42.7 -35.7 55 55 A G H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.920 101.4 47.8 -52.4 -41.6 13.7 45.6 -33.5 56 56 A L H <> S+ 0 0 37 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.901 109.3 50.7 -65.8 -47.2 14.6 47.5 -36.7 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.980 109.4 53.9 -53.9 -53.8 11.4 46.7 -38.4 58 58 A K H X S+ 0 0 38 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.897 112.5 39.7 -45.1 -62.8 9.5 47.9 -35.4 59 59 A S H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.911 114.7 53.3 -61.7 -40.3 11.2 51.3 -35.2 60 60 A E H X S+ 0 0 13 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.907 109.0 49.8 -61.9 -41.3 11.2 51.8 -38.9 61 61 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.925 109.8 49.5 -62.9 -46.6 7.4 51.2 -39.2 62 62 A L H X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.2 6,-0.3 0.946 105.2 59.5 -56.7 -47.3 6.6 53.6 -36.4 63 63 A W H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-1.4 0.926 110.5 41.0 -44.6 -58.5 8.7 56.2 -38.1 64 64 A F H ><5S+ 0 0 11 -4,-1.9 3,-2.9 1,-0.3 -1,-0.2 0.899 109.2 59.3 -56.0 -51.0 6.5 55.9 -41.2 65 65 A L H 3<5S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.701 101.1 55.8 -56.5 -20.1 3.3 55.7 -39.1 66 66 A H T <<5S- 0 0 74 -4,-1.7 -1,-0.3 -3,-1.4 -2,-0.2 0.291 113.1-119.6 -91.0 5.2 4.2 59.2 -37.6 67 67 A G T < 5 + 0 0 21 -3,-2.9 2,-0.2 1,-0.2 -3,-0.2 0.710 64.2 156.4 61.5 20.9 4.3 60.6 -41.1 68 68 A D < + 0 0 50 -5,-1.6 79,-0.3 -6,-0.3 -1,-0.2 -0.542 29.9 175.9 -83.4 143.3 7.9 61.4 -40.1 69 69 A T + 0 0 20 -2,-0.2 73,-2.5 78,-0.1 74,-0.6 0.297 45.7 101.8-128.6 3.7 10.7 61.9 -42.7 70 70 A N B -F 141 0B 25 71,-0.3 3,-0.5 72,-0.1 4,-0.4 -0.722 65.6-136.1 -95.7 148.9 13.8 62.8 -40.6 71 71 A I S >> S+ 0 0 0 69,-2.1 3,-1.8 -2,-0.3 4,-1.7 0.897 90.6 83.1 -65.3 -44.9 16.6 60.5 -39.7 72 72 A R H 3> S+ 0 0 56 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.765 85.8 58.0 -28.6 -50.9 16.8 61.6 -36.1 73 73 A F H 34 S+ 0 0 29 -3,-0.5 -1,-0.3 1,-0.2 6,-0.2 0.900 109.5 42.5 -52.7 -50.0 14.0 59.3 -35.1 74 74 A L H X4>S+ 0 0 0 -3,-1.8 5,-3.0 -4,-0.4 3,-1.4 0.881 113.5 52.7 -67.2 -37.0 15.8 56.2 -36.3 75 75 A L H ><5S+ 0 0 15 -4,-1.7 3,-2.1 1,-0.3 -2,-0.2 0.930 103.2 56.6 -63.2 -42.8 19.1 57.4 -34.8 76 76 A Q T 3<5S+ 0 0 130 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.334 114.2 43.7 -70.7 9.9 17.3 57.9 -31.4 77 77 A H T < 5S- 0 0 55 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.242 118.2-106.8-136.1 8.1 16.5 54.2 -31.9 78 78 A R T < 5S+ 0 0 211 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.496 75.0 138.7 74.5 6.1 19.8 52.7 -33.1 79 79 A N < + 0 0 0 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.694 21.4 165.6 -87.0 125.1 18.4 52.4 -36.6 80 80 A H > + 0 0 101 -2,-0.5 3,-2.0 -3,-0.1 4,-0.4 0.279 38.4 117.9-120.2 10.6 20.8 53.4 -39.4 81 81 A I T 3 S+ 0 0 26 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.699 84.9 36.6 -50.9 -25.4 18.9 51.9 -42.3 82 82 A W T >> S+ 0 0 34 1,-0.1 4,-1.2 -3,-0.1 3,-0.6 0.346 84.2 106.2-114.8 8.5 18.5 55.3 -44.0 83 83 A D H X> S+ 0 0 8 -3,-2.0 4,-3.6 1,-0.2 3,-1.1 0.929 74.8 55.9 -50.0 -61.3 21.8 56.9 -43.1 84 84 A E H 3> S+ 0 0 63 -4,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.785 103.4 55.6 -44.7 -39.4 23.4 56.7 -46.6 85 85 A W H <> S+ 0 0 52 -3,-0.6 4,-1.0 2,-0.2 -1,-0.3 0.882 117.9 34.1 -66.4 -37.4 20.5 58.6 -48.2 86 86 A A H < S+ 0 0 16 -4,-2.2 6,-0.6 1,-0.2 3,-0.6 0.839 108.7 48.6 -59.8 -38.3 25.4 65.9 -46.8 91 91 A V H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.863 108.8 51.1 -74.0 -37.6 28.5 65.0 -48.8 92 92 A K T 3< S+ 0 0 156 -4,-2.2 -1,-0.2 -5,-0.1 2,-0.2 0.411 98.9 94.3 -80.7 4.0 27.4 66.6 -52.1 93 93 A S S X S- 0 0 20 -3,-0.6 3,-0.6 -4,-0.3 -3,-0.0 -0.586 88.1-108.8 -98.2 161.7 26.6 69.8 -50.2 94 94 A D T 3 S+ 0 0 155 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.0 0.801 111.9 55.2 -51.6 -42.4 28.7 73.0 -49.6 95 95 A E T 3 S+ 0 0 78 1,-0.1 2,-1.2 -5,-0.1 -1,-0.2 0.838 75.7 101.3 -67.2 -36.1 29.3 72.3 -45.9 96 96 A Y < + 0 0 25 -6,-0.6 2,-0.7 -3,-0.6 -1,-0.1 -0.291 43.1 166.2 -56.4 92.8 30.9 68.8 -46.2 97 97 A H + 0 0 149 -2,-1.2 -1,-0.1 0, 0.0 -3,-0.1 -0.624 36.5 100.0-109.9 69.0 34.5 69.9 -45.9 98 98 A G S S- 0 0 43 -2,-0.7 3,-0.1 1,-0.4 -2,-0.0 -0.284 74.8 -57.5-127.2-150.1 36.1 66.5 -45.3 99 99 A P S S- 0 0 63 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.055 78.8 -49.2 -82.1-162.7 38.0 63.8 -47.2 100 100 A D + 0 0 75 1,-0.1 18,-0.0 2,-0.0 0, 0.0 -0.590 59.3 154.3 -75.4 129.6 36.9 61.9 -50.4 101 101 A M > + 0 0 4 -2,-0.3 3,-2.1 -3,-0.1 2,-0.2 0.333 21.9 132.0-136.8 1.8 33.4 60.4 -50.1 102 102 A T T 3 S+ 0 0 109 1,-0.3 5,-0.1 2,-0.1 -2,-0.0 -0.430 89.2 0.1 -63.4 122.5 32.3 60.1 -53.7 103 103 A D T >> S+ 0 0 99 -2,-0.2 4,-2.2 3,-0.1 3,-2.0 0.625 86.7 158.5 70.6 17.8 30.8 56.6 -54.3 104 104 A F H <> + 0 0 11 -3,-2.1 4,-2.6 1,-0.3 -2,-0.1 0.819 64.0 56.0 -35.8 -56.8 31.6 55.8 -50.7 105 105 A G H 34 S+ 0 0 21 1,-0.2 4,-0.3 -4,-0.2 -1,-0.3 0.750 114.5 37.9 -53.8 -31.8 29.0 53.0 -50.4 106 106 A H H X4 S+ 0 0 74 -3,-2.0 3,-0.7 2,-0.1 4,-0.5 0.822 114.9 51.9 -89.8 -36.4 30.6 51.1 -53.4 107 107 A R H >< S+ 0 0 71 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.821 93.9 74.4 -68.4 -31.8 34.2 51.8 -52.6 108 108 A S G >< S+ 0 0 24 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.835 87.8 62.5 -48.4 -38.4 33.8 50.6 -49.0 109 109 A Q G < S+ 0 0 69 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.866 117.8 25.5 -57.9 -41.7 33.7 47.1 -50.4 110 110 A K G < S- 0 0 159 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 -0.513 93.4-177.5-121.7 61.1 37.3 47.4 -51.7 111 111 A D < - 0 0 71 -3,-1.2 -3,-0.1 1,-0.1 -4,-0.0 -0.342 31.4-161.9 -69.3 137.1 38.5 50.0 -49.3 112 112 A P S S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.656 94.6 -49.9 -83.5 -19.6 42.1 51.4 -49.5 113 113 A E S >> S+ 0 0 88 -5,-0.0 4,-1.1 0, 0.0 3,-1.0 -0.059 117.1 119.6 169.3 -17.6 41.4 52.6 -46.0 114 114 A F H 3> + 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.690 61.2 65.9 -34.3 -43.0 38.1 54.1 -47.0 115 115 A A H 3> S+ 0 0 22 1,-0.2 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