==== 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/TRANSFERASE INHIBITOR 14-APR-09 3H2F . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 532 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 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 0 0 2 0 6 0 0 0 2 0 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 9 5 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 16,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-118.5 -92.6 68.5 77.0 2 2 A K + 0 0 113 1,-0.1 2,-0.5 15,-0.1 15,-0.1 0.889 360.0 46.9 -56.9 -42.3 -90.7 71.9 76.8 3 3 A W - 0 0 28 1,-0.1 -1,-0.1 2,-0.0 14,-0.1 -0.922 60.4-167.2-111.1 130.1 -87.4 70.2 78.0 4 4 A D S S+ 0 0 153 -2,-0.5 2,-0.3 12,-0.1 -1,-0.1 0.157 74.8 47.5 -99.1 18.4 -86.0 67.0 76.6 5 5 A Y S S- 0 0 34 170,-0.0 11,-0.4 3,-0.0 2,-0.3 -0.963 76.0-125.2-145.0 158.3 -83.5 66.5 79.4 6 6 A D - 0 0 70 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.767 35.8-103.9 -95.8 153.5 -83.4 66.6 83.3 7 7 A L E -A 14 0A 1 7,-2.6 7,-2.7 -2,-0.3 2,-0.7 -0.706 38.6-145.0 -77.1 118.2 -81.0 68.8 85.2 8 8 A R E +A 13 0A 115 -2,-0.7 5,-0.2 167,-0.2 3,-0.1 -0.771 26.5 171.8 -95.0 115.2 -78.4 66.4 86.5 9 9 A C E > -A 12 0A 4 3,-2.3 3,-1.8 -2,-0.7 2,-0.6 -0.398 51.7-102.8-121.2 53.3 -77.0 67.2 89.9 10 10 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.2 103,-0.1 103,-0.0 -0.522 108.9 10.6 68.4-110.6 -74.9 64.1 90.8 11 11 A E T 3 S+ 0 0 141 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.748 130.3 59.0 -70.6 -22.1 -77.0 62.2 93.3 12 12 A Y E < -A 9 0A 38 -3,-1.8 -3,-2.3 80,-0.0 2,-0.4 -0.775 64.8-159.4-112.2 154.5 -80.1 64.3 92.6 13 13 A T E -A 8 0A 72 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.999 5.7-153.0-134.0 134.0 -82.0 65.0 89.5 14 14 A L E -A 7 0A 14 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.934 10.2-144.3-112.6 116.8 -84.3 67.9 88.8 15 15 A N > - 0 0 53 -2,-0.6 4,-0.6 -9,-0.2 -9,-0.1 -0.684 6.8-162.0 -77.5 126.2 -87.2 67.5 86.3 16 16 A L T 4 S+ 0 0 3 -2,-0.4 -1,-0.1 -11,-0.4 5,-0.1 0.522 83.6 46.5 -91.7 -5.8 -87.7 70.8 84.4 17 17 A N T 4 S+ 0 0 39 -14,-0.1 -1,-0.2 -15,-0.1 3,-0.1 0.649 97.0 66.1-107.6 -29.0 -91.2 70.0 83.1 18 18 A E T 4 S- 0 0 100 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.913 113.3 -25.1 -66.3 -39.8 -93.1 68.7 86.2 19 19 A K S < S- 0 0 74 -4,-0.6 2,-0.3 251,-0.1 -1,-0.2 -0.981 72.6 -76.9-166.1 160.5 -93.1 71.9 88.3 20 20 A T - 0 0 3 -2,-0.3 2,-0.4 241,-0.2 228,-0.2 -0.611 52.0-128.4 -68.8 130.9 -91.5 75.2 89.1 21 21 A L E -b 248 0B 3 226,-2.6 228,-2.2 -2,-0.3 2,-0.6 -0.691 14.7-142.6 -89.1 132.0 -88.4 74.5 91.2 22 22 A I E -b 249 0B 2 -2,-0.4 36,-3.0 34,-0.3 37,-1.5 -0.855 8.9-162.5-100.5 117.4 -88.0 76.5 94.4 23 23 A M E -bc 250 59B 1 226,-3.2 228,-2.5 -2,-0.6 2,-0.3 -0.890 14.9-150.6 -96.5 113.6 -84.5 77.6 95.4 24 24 A G E -bc 251 60B 0 35,-2.8 37,-2.7 -2,-0.7 2,-0.6 -0.701 10.5-129.1 -86.4 138.5 -84.5 78.5 99.1 25 25 A I E - c 0 61B 18 226,-1.8 2,-0.3 -2,-0.3 37,-0.1 -0.776 20.4-139.5 -91.6 114.4 -82.0 81.1 100.3 26 26 A L - 0 0 7 35,-2.6 2,-0.5 -2,-0.6 37,-0.3 -0.492 12.9-131.5 -75.2 127.8 -80.1 79.9 103.3 27 27 A N - 0 0 91 -2,-0.3 21,-0.1 18,-0.1 22,-0.1 -0.775 25.6-174.4 -88.2 132.7 -79.6 82.5 105.9 28 28 A V + 0 0 33 -2,-0.5 -1,-0.1 2,-0.0 17,-0.1 0.140 5.8 176.0-121.8 15.8 -76.0 82.3 106.7 29 29 A T - 0 0 106 1,-0.1 16,-0.1 15,-0.1 15,-0.1 0.068 27.4-131.9 -35.0 110.8 -75.4 84.8 109.7 30 30 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.378 14.6-112.2 -71.9 143.9 -71.7 84.6 110.8 31 31 A D > - 0 0 43 1,-0.1 3,-1.1 -2,-0.1 7,-0.1 -0.609 21.5-141.9 -68.0 130.5 -70.5 84.2 114.3 32 32 A S T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.713 98.8 42.7 -69.0 -25.1 -68.7 87.4 115.5 33 33 A F T 3 S+ 0 0 217 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.024 105.5 89.7-109.8 31.8 -66.0 85.6 117.5 34 34 A S < - 0 0 40 -3,-1.1 3,-0.1 1,-0.1 0, 0.0 -0.914 63.4-148.9-143.0 154.2 -65.4 82.9 114.9 35 35 A D S S- 0 0 108 1,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.490 75.2 -73.4-102.2 -6.0 -63.3 82.0 111.9 36 36 A G S S+ 0 0 17 42,-0.1 -1,-0.4 43,-0.0 42,-0.2 -0.423 108.8 57.0 124.2 156.0 -66.2 79.8 110.3 37 37 A G + 0 0 11 41,-0.3 271,-3.2 1,-0.2 272,-0.2 0.493 67.1 150.5 74.4 6.7 -67.6 76.3 111.2 38 38 A S B > -J 307 0C 27 269,-0.3 4,-2.0 270,-0.1 5,-0.3 -0.252 56.3-111.2 -69.4 160.0 -68.5 77.2 114.8 39 39 A Y H > S+ 0 0 6 267,-2.5 4,-2.8 1,-0.2 5,-0.3 0.916 110.4 48.4 -64.5 -49.8 -71.4 75.4 116.4 40 40 A N H > S+ 0 0 84 266,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 116.6 42.6 -58.8 -42.9 -74.0 78.3 116.7 41 41 A E H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.852 118.4 42.7 -77.5 -36.0 -73.6 79.4 113.1 42 42 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 114.7 51.4 -74.6 -39.0 -73.5 75.9 111.4 43 43 A D H X S+ 0 0 16 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.917 109.1 50.9 -61.6 -43.4 -76.4 74.7 113.7 44 44 A A H X S+ 0 0 53 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.918 111.9 47.5 -59.2 -43.4 -78.5 77.8 112.7 45 45 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.877 111.9 48.9 -63.9 -45.8 -77.8 77.1 109.0 46 46 A V H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.913 111.1 50.0 -61.6 -45.2 -78.7 73.4 109.3 47 47 A R H X S+ 0 0 155 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.873 112.4 48.5 -59.9 -40.2 -82.0 74.2 111.2 48 48 A H H X S+ 0 0 26 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.891 109.9 50.6 -70.2 -36.6 -82.9 76.7 108.5 49 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 111.0 49.5 -67.1 -36.7 -82.1 74.2 105.7 50 50 A K H X S+ 0 0 79 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.923 110.7 49.8 -67.4 -46.1 -84.3 71.6 107.3 51 51 A E H X S+ 0 0 102 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.922 111.7 48.4 -53.9 -45.2 -87.2 74.1 107.7 52 52 A M H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-0.4 0.889 110.6 50.5 -70.6 -38.2 -86.9 75.1 104.1 53 53 A R H ><5S+ 0 0 95 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.924 110.5 50.0 -54.7 -47.6 -86.8 71.4 103.0 54 54 A D H 3<5S+ 0 0 115 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.743 108.7 55.1 -64.3 -25.4 -90.0 70.8 105.1 55 55 A E T 3<5S- 0 0 60 -4,-1.4 -1,-0.2 -5,-0.2 203,-0.2 0.445 129.4 -84.9 -90.2 -2.2 -91.6 73.8 103.5 56 56 A G T < 5S+ 0 0 28 -3,-1.2 -34,-0.3 -4,-0.4 2,-0.2 0.560 71.5 152.9 112.6 14.2 -91.2 72.8 99.8 57 57 A A < - 0 0 5 -5,-2.2 -1,-0.2 -6,-0.1 -34,-0.2 -0.509 23.3-172.8 -73.3 142.8 -87.7 73.9 98.8 58 58 A H S S+ 0 0 40 -36,-3.0 2,-0.3 1,-0.3 -35,-0.2 0.624 72.4 27.1-105.3 -18.1 -86.0 71.9 96.0 59 59 A I E -c 23 0B 2 -37,-1.5 -35,-2.8 33,-0.1 2,-0.5 -0.979 68.7-142.0-141.7 145.9 -82.5 73.5 96.1 60 60 A I E -cd 24 94B 0 33,-2.2 35,-2.3 -2,-0.3 2,-0.5 -0.984 15.0-152.8-115.1 117.7 -80.6 75.2 99.0 61 61 A D E -cd 25 95B 2 -37,-2.7 -35,-2.6 -2,-0.5 2,-0.4 -0.824 15.3-175.2 -90.9 126.3 -78.6 78.3 98.0 62 62 A I E + d 0 96B 0 33,-2.7 35,-2.3 -2,-0.5 2,-0.3 -0.983 4.3 178.7-130.7 121.4 -75.5 79.0 100.2 63 63 A G E - d 0 97B 10 -2,-0.4 35,-0.1 -37,-0.3 33,-0.0 -0.876 22.3-158.4-121.6 156.3 -73.1 82.0 100.0 64 64 A G 0 0 0 33,-0.6 34,-0.1 -2,-0.3 -1,-0.1 0.593 360.0 360.0-107.1 -16.5 -70.1 83.0 102.1 65 65 A E 0 0 100 32,-0.3 33,-0.1 13,-0.0 -2,-0.1 0.712 360.0 360.0-108.6 360.0 -70.0 86.8 101.3 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 71 A F 0 0 122 0, 0.0 3,-0.1 0, 0.0 -36,-0.0 0.000 360.0 360.0 360.0 -80.2 -71.6 90.8 108.4 68 72 A A - 0 0 68 1,-0.1 2,-0.0 -38,-0.1 -36,-0.0 -0.272 360.0 -99.4 -66.8 141.5 -67.7 91.0 108.9 69 73 A K - 0 0 103 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.361 48.2-164.1 -61.8 140.2 -65.5 91.8 105.9 70 74 A V - 0 0 49 -3,-0.1 2,-0.1 -2,-0.0 -1,-0.0 -0.979 16.7-141.7-139.0 136.3 -63.9 88.6 104.5 71 75 A S > - 0 0 55 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.465 42.7 -96.0 -84.6 166.2 -61.0 87.5 102.2 72 76 A V H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.886 127.1 49.0 -48.0 -47.9 -61.2 84.6 99.7 73 77 A E H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 114.1 44.8 -59.0 -43.7 -59.5 82.3 102.2 74 78 A E H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.810 107.9 58.0 -74.0 -31.3 -62.0 83.3 105.0 75 79 A E H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.870 107.8 48.4 -61.1 -40.6 -64.9 83.0 102.6 76 80 A I H X S+ 0 0 17 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.918 106.8 55.1 -66.2 -43.5 -64.0 79.4 102.1 77 81 A K H < S+ 0 0 99 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.841 113.6 43.2 -63.6 -31.0 -63.6 78.8 105.8 78 82 A R H X S+ 0 0 28 -4,-1.6 4,-0.9 -42,-0.2 -41,-0.3 0.930 119.1 38.6 -71.3 -52.6 -67.2 80.0 106.3 79 83 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.893 106.1 64.3 -76.7 -33.4 -69.0 78.4 103.4 80 84 A V H X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.909 102.8 45.4 -62.5 -47.0 -67.2 75.0 103.5 81 85 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.827 113.3 51.9 -64.2 -33.1 -68.4 73.7 106.9 82 86 A M H X S+ 0 0 6 -4,-0.9 4,-2.8 2,-0.2 5,-0.3 0.943 110.0 47.9 -66.6 -46.9 -72.0 74.9 106.1 83 87 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.891 112.9 49.9 -56.2 -42.2 -71.9 73.0 102.8 84 88 A Q H X S+ 0 0 97 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.928 115.5 40.8 -64.3 -46.7 -70.6 69.9 104.6 85 89 A A H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.938 117.4 46.7 -69.5 -49.1 -73.2 69.9 107.4 86 90 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.930 112.1 50.2 -59.8 -43.7 -76.1 70.8 105.2 87 91 A S H < S+ 0 0 28 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.775 115.1 44.7 -69.6 -24.5 -75.2 68.2 102.5 88 92 A K H < S+ 0 0 154 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.816 124.0 33.3 -78.6 -36.3 -74.9 65.5 105.2 89 93 A E H < S+ 0 0 36 -4,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.655 116.6 49.2-102.9 -18.4 -78.1 66.5 107.0 90 94 A V S < S- 0 0 1 -4,-3.0 2,-1.7 -5,-0.2 -1,-0.2 -0.983 70.4-143.6-129.0 121.9 -80.5 67.7 104.3 91 95 A K + 0 0 113 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.472 62.5 101.7 -92.2 70.6 -81.1 65.7 101.2 92 96 A L S S- 0 0 27 -2,-1.7 -33,-0.1 -6,-0.2 -2,-0.1 -0.973 79.2 -92.1-139.0 152.3 -81.4 68.4 98.5 93 97 A P - 0 0 3 0, 0.0 -33,-2.2 0, 0.0 2,-0.4 -0.366 41.3-141.6 -66.5 152.4 -79.0 69.7 95.9 94 98 A I E -d 60 0B 1 17,-0.3 19,-2.8 -35,-0.2 20,-1.8 -0.925 8.2-156.0-116.2 132.8 -76.9 72.7 97.1 95 99 A S E -de 61 114B 0 -35,-2.3 -33,-2.7 -2,-0.4 2,-0.6 -0.929 12.8-139.3-104.2 140.1 -76.0 75.7 95.0 96 100 A I E -de 62 115B 0 18,-2.9 20,-3.6 -2,-0.4 2,-1.0 -0.883 9.0-147.2 -98.6 119.1 -72.9 77.7 95.9 97 101 A D E +de 63 116B 43 -35,-2.3 -33,-0.6 -2,-0.6 -32,-0.3 -0.787 51.9 119.4 -85.9 95.9 -73.5 81.5 95.5 98 102 A T - 0 0 2 18,-1.5 21,-0.1 -2,-1.0 -2,-0.1 -0.963 51.5-161.1-156.7 146.9 -70.0 82.7 94.4 99 103 A Y S S+ 0 0 75 -2,-0.3 2,-0.5 18,-0.2 28,-0.2 0.242 71.0 100.3-107.6 9.2 -68.4 84.5 91.4 100 104 A K > - 0 0 24 1,-0.1 4,-2.4 27,-0.1 5,-0.2 -0.832 66.6-146.7-103.4 124.0 -64.9 83.3 92.5 101 105 A A H > S+ 0 0 14 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.909 99.1 48.4 -52.1 -46.2 -63.3 80.3 90.8 102 106 A E H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 111.5 48.2 -69.2 -35.8 -61.5 79.1 93.9 103 107 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 110.3 52.7 -69.2 -40.2 -64.6 79.3 96.1 104 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 109.2 50.7 -59.9 -45.2 -66.6 77.5 93.6 105 109 A K H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.923 112.9 42.2 -59.8 -53.1 -64.0 74.7 93.5 106 110 A Q H X S+ 0 0 60 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.864 112.0 56.1 -62.7 -39.0 -63.8 74.1 97.3 107 111 A A H <>S+ 0 0 0 -4,-2.3 5,-3.2 2,-0.2 4,-0.3 0.901 110.8 43.7 -59.7 -42.9 -67.6 74.4 97.7 108 112 A I H ><5S+ 0 0 21 -4,-2.1 3,-1.0 3,-0.3 -2,-0.2 0.894 113.7 50.2 -67.2 -41.8 -68.1 71.6 95.1 109 113 A E H 3<5S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.760 110.2 52.1 -64.2 -29.8 -65.4 69.5 96.7 110 114 A A T 3<5S- 0 0 15 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.529 138.1 -82.3 -85.1 -6.6 -67.1 70.1 100.0 111 115 A G T < 5S+ 0 0 23 -3,-1.0 -17,-0.3 1,-0.3 -3,-0.3 0.347 77.5 143.5 128.5 -7.5 -70.4 68.9 98.5 112 116 A A < - 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