==== 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 (METHYLTRANSFERASE) 15-FEB-93 1TDA . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR K.M.PERRY,C.W.CARRERAS,L.C.CHANG,D.V.SANTI,R.M.STROUD . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.4 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 . 39 12.4 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 . 2 0.6 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 . 34 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 2 1 1 1 0 0 1 1 0 0 0 0 0 2 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 2 2 1 0 1 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 0 122 0, 0.0 3,-1.4 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 145.8 4.2 28.0 -44.4 2 2 A L T 3 + 0 0 30 1,-0.2 4,-0.1 2,-0.1 37,-0.1 0.888 360.0 43.8 -56.6 -57.4 3.4 31.8 -44.5 3 3 A E T >> S+ 0 0 4 1,-0.2 3,-1.6 43,-0.2 4,-1.0 0.432 80.5 105.8 -74.0 9.9 6.6 33.2 -46.1 4 4 A Q H <> + 0 0 58 -3,-1.4 4,-2.9 1,-0.3 3,-0.4 0.889 67.7 65.1 -60.8 -37.1 6.9 30.6 -48.8 5 5 A P H 3> S+ 0 0 38 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.736 102.2 53.9 -57.6 -15.0 5.8 32.8 -51.7 6 6 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.1 2,-0.2 3,-0.3 0.899 108.4 45.6 -70.6 -62.0 8.8 34.7 -50.9 7 7 A L H X S+ 0 0 5 -4,-1.0 4,-1.9 -3,-0.4 3,-0.3 0.869 108.9 55.7 -57.1 -36.6 11.1 31.8 -51.2 8 8 A D H X S+ 0 0 78 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.842 101.7 58.1 -61.1 -41.1 9.5 30.7 -54.3 9 9 A L H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.845 109.5 45.0 -50.8 -48.6 10.2 34.1 -56.0 10 10 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.803 109.6 53.2 -72.9 -32.6 13.8 33.8 -55.5 11 11 A K H X S+ 0 0 103 -4,-1.9 4,-1.7 2,-0.2 5,-0.2 0.931 113.8 46.4 -60.5 -45.8 13.8 30.1 -56.6 12 12 A K H X>S+ 0 0 75 -4,-2.7 4,-3.6 2,-0.2 5,-0.6 0.935 113.6 45.3 -58.9 -50.3 12.1 31.5 -59.8 13 13 A V H X5S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.955 113.3 54.1 -62.5 -51.2 14.6 34.5 -60.3 14 14 A L H <5S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.778 124.9 19.6 -48.6 -47.6 17.5 32.1 -59.6 15 15 A D H <5S+ 0 0 121 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.638 136.1 35.3-111.3 -9.9 16.6 29.6 -62.3 16 16 A E H <5S+ 0 0 119 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.328 92.9 114.8-109.8 -5.0 14.3 31.6 -64.6 17 17 A G << - 0 0 26 -4,-1.9 2,-0.4 -5,-0.6 14,-0.1 -0.096 55.1-135.6 -67.4 159.5 16.0 35.0 -64.3 18 18 A H E -A 30 0A 125 12,-0.7 12,-1.6 2,-0.0 2,-0.7 -0.930 17.7-114.7-116.8 149.7 17.7 36.9 -67.0 19 19 A F E -A 29 0A 111 -2,-0.4 10,-0.2 10,-0.2 -2,-0.0 -0.570 31.3-177.2 -84.9 124.1 20.9 38.6 -67.0 20 20 A K - 0 0 91 8,-1.8 2,-0.8 -2,-0.7 8,-0.4 -0.936 24.6-147.5-114.8 116.6 20.7 42.2 -67.5 21 21 A P + 0 0 72 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.779 57.8 127.0 -71.6 113.8 23.9 44.5 -67.6 22 22 A D + 0 0 66 3,-1.4 4,-0.1 -2,-0.8 0, 0.0 0.542 44.2 59.6-155.4 -4.9 22.0 47.5 -66.0 23 23 A R S S- 0 0 109 2,-1.1 3,-0.1 -3,-0.2 5,-0.0 0.850 140.1 -39.5 -88.4 -93.9 23.7 49.1 -62.9 24 24 A T S S- 0 0 101 3,-0.0 2,-0.9 0, 0.0 0, 0.0 -0.387 104.3 -84.1-132.6 32.5 27.1 50.4 -63.7 25 25 A H S S+ 0 0 130 -5,-0.1 -3,-1.4 1,-0.0 2,-1.4 -0.860 95.5 140.5 87.6 -75.1 26.6 47.2 -65.5 26 26 A T - 0 0 81 -2,-0.9 -1,-0.0 -5,-0.1 235,-0.0 -0.086 64.8 -93.1 55.9 -89.1 27.7 45.3 -62.3 27 27 A G - 0 0 0 -2,-1.4 235,-2.1 -7,-0.3 2,-0.3 0.197 41.9-179.2 176.2 160.7 24.6 42.1 -62.9 28 28 A T E - B 0 261A 2 -8,-0.4 -8,-1.8 233,-0.3 2,-0.5 -0.968 25.0-135.7-150.0 154.5 21.2 41.0 -62.1 29 29 A Y E -AB 19 260A 63 231,-2.3 231,-1.7 -2,-0.3 2,-0.4 -0.996 39.6-176.1-110.2 125.1 18.8 38.2 -62.7 30 30 A S E -AB 18 259A 7 -12,-1.6 -12,-0.7 -2,-0.5 2,-0.3 -0.997 24.4-171.5-142.4 137.4 15.4 39.7 -63.5 31 31 A I E - B 0 258A 14 227,-1.8 227,-2.4 -2,-0.4 2,-0.6 -0.822 19.8-140.5-116.2 148.7 11.8 38.7 -64.2 32 32 A F E S+ B 0 257A 162 -2,-0.3 225,-0.3 225,-0.2 224,-0.2 -0.969 71.5 17.8-109.6 107.5 9.2 41.0 -65.3 33 33 A G E + 0 0 38 223,-3.5 223,-0.2 -2,-0.6 2,-0.2 0.604 61.1 156.5 107.6 115.2 5.7 40.5 -63.7 34 34 A H E - B 0 255A 36 221,-1.6 221,-1.9 -3,-0.1 2,-0.2 -0.716 21.0-162.2-167.6 120.6 4.9 38.4 -60.5 35 35 A Q - 0 0 80 219,-0.2 2,-0.3 -2,-0.2 219,-0.2 -0.643 13.0-176.9 -94.7 169.2 2.0 38.5 -58.1 36 36 A M - 0 0 10 -2,-0.2 217,-3.0 2,-0.0 2,-0.3 -0.903 10.2-150.5-157.6 132.3 2.5 36.9 -54.7 37 37 A R E -C 252 0A 120 -2,-0.3 2,-0.4 215,-0.3 215,-0.2 -0.895 9.8-169.9-112.5 153.4 -0.2 36.5 -51.9 38 38 A F E -C 251 0A 4 213,-1.9 213,-2.1 -2,-0.3 2,-1.2 -0.997 20.7-140.3-137.1 128.3 -0.1 36.4 -48.0 39 39 A D E >> -C 250 0A 62 -2,-0.4 3,-2.2 211,-0.2 4,-0.8 -0.740 12.8-158.3 -89.2 107.7 -3.1 35.5 -46.0 40 40 A L T 34 S+ 0 0 5 -2,-1.2 210,-0.2 209,-0.9 -1,-0.1 0.410 84.8 68.0 -70.6 10.9 -2.8 37.9 -43.1 41 41 A S T 34 S+ 0 0 64 208,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.294 96.7 52.8 -99.0 -14.9 -5.0 35.7 -40.9 42 42 A K T <4 S- 0 0 141 -3,-2.2 2,-0.2 1,-0.3 -2,-0.2 0.880 124.0 -59.8 -86.7 -52.9 -2.4 33.0 -40.7 43 43 A G < - 0 0 9 -4,-0.8 -1,-0.3 238,-0.1 238,-0.2 -0.897 58.1 -61.5-166.6-164.3 0.5 35.4 -39.5 44 44 A F - 0 0 0 236,-1.8 2,-1.9 -2,-0.2 -41,-0.1 -0.915 47.9-134.8 -99.6 125.4 2.7 38.4 -39.9 45 45 A P + 0 0 1 0, 0.0 2,-0.6 0, 0.0 185,-0.1 -0.142 54.7 139.8 -86.0 54.1 4.9 37.8 -43.2 46 46 A L - 0 0 1 -2,-1.9 -43,-0.2 234,-0.2 -2,-0.1 -0.760 66.3-102.4 -85.5 118.8 8.1 38.9 -41.6 47 47 A L - 0 0 1 -2,-0.6 5,-0.3 180,-0.4 3,-0.2 -0.208 33.2-171.9 -55.6 122.6 10.7 36.4 -42.9 48 48 A T S S+ 0 0 0 229,-0.1 259,-1.8 1,-0.1 -1,-0.2 0.646 76.5 76.4 -77.0 -23.6 11.6 33.8 -40.4 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.3 257,-0.2 -1,-0.1 0.544 110.2 14.2 -81.5 2.5 14.4 32.4 -42.7 50 50 A K S S- 0 0 19 -3,-0.2 259,-0.3 257,-0.1 -1,-0.2 -0.829 95.6 -98.3-157.0 139.4 16.8 35.3 -41.9 51 51 A K - 0 0 135 256,-0.9 259,-0.2 -2,-0.3 -3,-0.1 -0.371 43.0-171.9 -49.1 123.6 16.4 37.8 -39.0 52 52 A V - 0 0 6 -5,-0.3 2,-1.5 -2,-0.1 -6,-0.0 -0.966 30.1-112.2-123.2 135.7 14.8 41.1 -40.4 53 53 A P >> - 0 0 66 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.492 29.0-176.4 -71.7 87.6 14.6 44.3 -38.2 54 54 A F H 3> S+ 0 0 17 -2,-1.5 4,-3.0 1,-0.2 3,-0.2 0.813 82.5 57.0 -50.4 -35.3 10.9 44.7 -37.5 55 55 A G H 3> S+ 0 0 38 2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.758 101.3 53.8 -71.7 -25.4 11.7 48.1 -35.6 56 56 A L H <> S+ 0 0 47 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.888 116.0 44.6 -73.9 -23.2 13.5 49.6 -38.6 57 57 A I H X S+ 0 0 3 -4,-1.3 4,-2.7 -3,-0.2 5,-0.3 0.980 112.3 45.6 -84.0 -63.0 10.2 48.8 -40.3 58 58 A K H X S+ 0 0 28 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.709 115.2 50.1 -64.7 -10.5 7.7 49.9 -37.8 59 59 A S H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 3,-0.4 0.972 110.4 48.3 -78.5 -51.0 9.6 53.2 -37.4 60 60 A E H X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.3 3,-0.3 0.850 111.6 50.7 -54.5 -36.8 9.8 53.8 -41.2 61 61 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.933 106.4 55.4 -74.4 -38.3 6.0 53.1 -41.6 62 62 A L H X S+ 0 0 1 -4,-1.1 4,-2.5 -3,-0.4 -1,-0.2 0.818 106.0 51.3 -63.2 -22.1 5.3 55.6 -38.7 63 63 A W H <>S+ 0 0 0 -4,-1.3 5,-2.0 -3,-0.3 -2,-0.2 0.979 113.1 46.8 -69.9 -52.4 7.3 58.4 -40.6 64 64 A F H ><5S+ 0 0 6 -4,-2.1 3,-2.9 1,-0.2 4,-0.2 0.973 112.2 47.6 -55.3 -65.3 5.2 57.7 -43.6 65 65 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.5 56.3 -49.9 -39.7 1.9 57.6 -41.6 66 66 A H T 3<5S- 0 0 64 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.355 114.0-115.1 -74.7 8.9 2.9 61.0 -39.9 67 67 A G T < 5 + 0 0 28 -3,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.696 63.8 162.7 73.4 14.8 3.3 62.8 -43.3 68 68 A D < + 0 0 42 -5,-2.0 79,-0.3 -4,-0.2 80,-0.3 -0.284 31.6 160.2 -76.6 149.5 6.9 63.1 -42.4 69 69 A T + 0 0 20 78,-0.2 73,-1.6 -3,-0.1 2,-0.3 0.528 45.7 103.2-140.5 -18.4 9.8 63.9 -44.6 70 70 A N B > -G 141 0B 31 71,-0.3 3,-1.2 72,-0.1 4,-0.4 -0.521 65.0-139.0 -77.5 136.0 12.5 65.1 -42.3 71 71 A I T >> S+ 0 0 0 69,-2.7 4,-1.8 -2,-0.3 3,-1.7 0.867 90.0 82.1 -60.5 -41.7 15.3 62.6 -41.5 72 72 A R H 3> S+ 0 0 49 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.671 83.7 57.5 -43.2 -34.0 15.3 63.7 -37.9 73 73 A F H <4 S+ 0 0 22 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.890 110.1 43.6 -61.0 -48.4 12.4 61.5 -36.8 74 74 A L H X4>S+ 0 0 0 -3,-1.7 3,-2.2 -4,-0.4 5,-1.7 0.897 110.2 53.9 -67.1 -44.0 14.0 58.4 -38.0 75 75 A L H ><5S+ 0 0 18 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.754 100.5 62.1 -69.6 -19.5 17.4 59.4 -36.5 76 76 A Q T 3<5S+ 0 0 121 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.277 108.4 44.9 -75.3 3.6 15.6 59.8 -33.2 77 77 A H T < 5S- 0 0 58 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.167 120.8-101.9-129.1 17.3 14.7 56.0 -33.5 78 78 A R T < 5S+ 0 0 213 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.949 74.4 150.5 58.1 43.5 18.2 54.6 -34.6 79 79 A N < + 0 0 1 -5,-1.7 3,-0.4 -8,-0.1 -1,-0.2 -0.845 19.3 165.8-120.0 101.2 16.8 54.5 -38.1 80 80 A H + 0 0 99 -2,-0.7 4,-0.3 1,-0.2 -1,-0.1 -0.126 41.4 107.5-100.6 34.2 19.4 54.9 -40.8 81 81 A I S S+ 0 0 67 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.765 87.8 36.8 -82.0 -22.1 17.6 53.8 -43.9 82 82 A W S >> S+ 0 0 23 -3,-0.4 4,-1.3 1,-0.1 3,-0.6 0.621 86.8 94.5-107.6 -10.1 17.3 57.3 -45.4 83 83 A D H 3> S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.877 75.8 63.8 -43.3 -52.7 20.4 59.0 -44.4 84 84 A E H 3> S+ 0 0 96 -4,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.744 102.4 50.2 -53.9 -39.1 22.2 58.3 -47.5 85 85 A W H <> S+ 0 0 105 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.892 114.6 40.5 -58.0 -64.3 19.9 60.4 -49.5 86 86 A A H < S+ 0 0 0 -4,-1.3 4,-0.4 -3,-0.4 -1,-0.2 0.816 112.9 54.9 -59.9 -41.2 19.9 63.5 -47.3 87 87 A F H >X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 3,-1.0 0.896 103.1 56.4 -63.4 -42.6 23.7 63.3 -46.7 88 88 A E H 3< S+ 0 0 114 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.960 109.6 45.7 -52.5 -53.2 24.3 63.3 -50.5 89 89 A K T 3< S+ 0 0 62 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.537 112.6 53.6 -68.2 -9.2 22.3 66.6 -50.9 90 90 A W T <4 S+ 0 0 17 -3,-1.0 6,-0.3 -4,-0.4 3,-0.3 0.886 103.4 51.2 -88.7 -47.7 24.2 67.9 -47.9 91 91 A V S < S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.264 93.1 92.0 -73.2 14.3 27.6 67.2 -49.3 92 92 A K S S- 0 0 111 1,-0.3 2,-0.3 -5,-0.2 -1,-0.2 0.980 100.1 -30.2 -76.9 -72.1 26.3 69.1 -52.5 93 93 A S S S+ 0 0 53 -4,-0.4 -1,-0.3 -3,-0.3 4,-0.1 -0.959 100.1 31.8-144.5 157.5 27.4 72.9 -51.8 94 94 A D S S+ 0 0 93 2,-0.4 2,-1.2 -2,-0.3 -1,-0.2 0.891 107.9 17.5 62.2 138.5 27.9 75.1 -48.7 95 95 A E S S+ 0 0 87 1,-0.3 2,-0.4 -4,-0.1 -1,-0.1 -0.235 103.5 105.9 66.4 -39.8 29.1 74.7 -45.0 96 96 A Y + 0 0 22 -2,-1.2 -2,-0.4 -6,-0.3 -1,-0.3 -0.604 33.7 142.4 -62.4 108.6 30.2 71.5 -46.8 97 97 A H + 0 0 161 -2,-0.4 -1,-0.1 -3,-0.2 -6,-0.0 -0.610 44.6 90.1-149.6 79.6 34.0 72.3 -47.0 98 98 A G S S- 0 0 36 -7,-0.1 2,-2.5 -2,-0.0 -2,-0.0 -0.886 90.1 -29.7-171.8-169.6 35.3 68.8 -46.5 99 99 A P - 0 0 74 0, 0.0 2,-2.7 0, 0.0 19,-0.1 -0.138 59.9-131.6 -84.8 64.6 36.2 65.8 -48.6 100 100 A D - 0 0 129 -2,-2.5 -4,-0.0 1,-0.2 -9,-0.0 -0.047 23.1-162.3 29.5 -53.9 34.0 65.8 -51.8 101 101 A M > + 0 0 5 -2,-2.7 3,-1.1 1,-0.2 2,-0.4 0.871 13.7 176.2 48.3 54.4 32.6 62.0 -51.8 102 102 A T T 3 S+ 0 0 89 1,-0.3 5,-0.2 2,-0.1 -1,-0.2 -0.697 78.0 6.2 -78.7 140.8 31.4 61.6 -55.4 103 103 A D T 3> S+ 0 0 101 -2,-0.4 4,-2.9 1,-0.1 -1,-0.3 0.821 81.4 158.2 53.7 29.2 30.3 58.0 -55.8 104 104 A F H <> + 0 0 16 -3,-1.1 2,-2.6 1,-0.2 4,-2.0 0.847 64.1 72.9 -56.4 -31.5 30.9 57.4 -52.0 105 105 A G H 4 S+ 0 0 41 -4,-0.2 -1,-0.2 3,-0.2 -2,-0.1 -0.427 115.8 21.2 -74.6 68.3 28.4 54.4 -52.3 106 106 A H H >> S+ 0 0 65 -2,-2.6 4,-4.6 0, 0.0 3,-0.9 -0.409 126.0 50.9 170.2 -58.2 31.3 52.6 -54.2 107 107 A R H 3< S+ 0 0 107 -4,-2.9 8,-0.3 1,-0.3 -3,-0.2 0.973 112.9 44.3 -67.6 -40.4 34.3 54.5 -53.1 108 108 A S T 3< S+ 0 0 23 -4,-2.0 -1,-0.3 -5,-0.2 7,-0.3 0.781 123.5 41.4 -74.2 -6.8 33.2 54.0 -49.5 109 109 A Q T <4 S+ 0 0 130 -3,-0.9 2,-0.6 -5,-0.3 -2,-0.2 0.899 121.3 44.3 -91.8 -53.5 32.4 49.6 -51.1 110 110 A K S < S+ 0 0 188 -4,-4.6 -1,-0.1 4,-0.0 -2,-0.1 0.031 112.3 88.7 -88.2 43.3 35.8 49.8 -53.1 111 111 A D - 0 0 35 -2,-0.6 -3,-0.1 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