==== 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 01-JUL-04 1TX2 . COMPND 2 MOLECULE: DHPS, DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR K.BABAOGLU,J.QI,R.E.LEE,S.W.WHITE . 530 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 12.5 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0 0 2 0 5 1 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 8 6 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 2 A K 0 0 161 0, 0.0 2,-0.5 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 -44.8 -89.8 70.9 76.3 2 3 A W - 0 0 31 1,-0.1 14,-0.1 2,-0.0 13,-0.1 -0.898 360.0-165.8-109.2 130.3 -86.5 69.5 77.6 3 4 A D S S+ 0 0 149 -2,-0.5 2,-0.3 12,-0.1 -1,-0.1 0.206 75.3 49.5 -97.2 18.0 -85.1 66.2 76.1 4 5 A Y S S- 0 0 29 171,-0.0 11,-0.4 3,-0.0 2,-0.3 -0.970 73.8-131.8-144.2 155.8 -82.6 65.8 78.9 5 6 A D - 0 0 71 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.749 37.7-100.9 -96.5 158.1 -82.6 65.9 82.8 6 7 A L E -A 13 0A 0 7,-2.8 7,-2.5 -2,-0.3 2,-0.6 -0.724 35.4-144.7 -80.5 114.9 -80.0 67.9 84.8 7 8 A R E +A 12 0A 120 -2,-0.7 5,-0.2 5,-0.2 3,-0.1 -0.719 25.4 172.6 -88.9 118.4 -77.5 65.4 85.9 8 9 A C E > -A 11 0A 4 3,-2.7 3,-1.8 -2,-0.6 2,-0.5 -0.361 50.3-105.3-122.6 47.5 -76.2 66.4 89.4 9 10 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 104,-0.1 104,-0.0 -0.524 107.2 10.9 70.8-114.5 -74.1 63.3 90.3 10 11 A E T 3 S+ 0 0 147 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.724 131.7 59.8 -68.2 -18.2 -76.0 61.3 92.8 11 12 A Y E < -A 8 0A 33 -3,-1.8 -3,-2.7 81,-0.0 2,-0.4 -0.796 65.3-160.7-111.7 153.1 -79.1 63.5 92.1 12 13 A T E -A 7 0A 73 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.999 5.5-155.7-129.9 131.2 -81.1 64.1 89.0 13 14 A L E -A 6 0A 14 -7,-2.5 -7,-2.8 -2,-0.4 2,-0.4 -0.948 10.0-144.6-109.4 121.9 -83.4 67.0 88.4 14 15 A N - 0 0 55 -2,-0.5 4,-0.4 -9,-0.2 -9,-0.1 -0.671 6.1-162.4 -79.5 132.3 -86.2 66.7 85.8 15 16 A L S S+ 0 0 4 -11,-0.4 -1,-0.1 -2,-0.4 5,-0.1 0.565 83.6 51.4 -95.1 -7.2 -86.8 70.0 84.0 16 17 A N S S+ 0 0 50 -14,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.737 96.4 63.0-101.1 -22.7 -90.3 69.1 82.7 17 18 A E S S- 0 0 125 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.862 112.6 -19.8 -78.9 -42.3 -92.2 67.9 85.8 18 19 A K S S- 0 0 73 -4,-0.4 2,-0.3 229,-0.1 -1,-0.2 -0.989 74.6 -80.7-161.0 161.5 -92.3 71.1 88.0 19 20 A T - 0 0 3 -2,-0.3 2,-0.4 242,-0.2 229,-0.2 -0.531 52.9-125.1 -70.2 133.4 -90.7 74.4 88.6 20 21 A L E -b 248 0B 5 227,-2.9 229,-2.4 -2,-0.3 2,-0.7 -0.673 16.8-143.8 -91.7 133.1 -87.5 73.7 90.6 21 22 A I E -b 249 0B 3 -2,-0.4 36,-3.1 34,-0.3 37,-1.6 -0.860 9.4-165.0 -99.8 115.4 -87.1 75.6 93.9 22 23 A M E -bc 250 58B 0 227,-3.1 229,-2.7 -2,-0.7 2,-0.4 -0.895 14.5-149.8 -99.2 117.1 -83.6 76.7 94.9 23 24 A G E -bc 251 59B 0 35,-2.7 37,-2.7 -2,-0.6 2,-0.8 -0.715 11.4-129.2 -89.0 135.2 -83.6 77.7 98.6 24 25 A I E - c 0 60B 17 227,-2.2 2,-0.2 -2,-0.4 37,-0.1 -0.738 22.9-138.5 -89.5 111.3 -81.2 80.3 99.7 25 26 A L - 0 0 9 35,-2.2 2,-0.5 -2,-0.8 37,-0.3 -0.417 10.6-130.7 -69.8 131.1 -79.2 79.1 102.7 26 27 A N + 0 0 85 -2,-0.2 21,-0.2 18,-0.1 22,-0.1 -0.686 28.0 179.8 -87.9 133.6 -78.6 81.5 105.5 27 28 A V + 0 0 18 -2,-0.5 -1,-0.1 20,-0.1 17,-0.1 0.127 5.3 171.0-130.3 21.7 -75.0 81.4 106.2 28 29 A T - 0 0 88 1,-0.1 2,-0.1 15,-0.0 16,-0.1 -0.077 27.9-133.8 -49.2 116.9 -74.4 83.9 109.0 29 30 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.454 12.4-114.1 -77.0 148.4 -70.8 83.6 110.3 30 31 A D > - 0 0 42 -2,-0.1 3,-0.9 5,-0.1 5,-0.1 -0.631 25.7-132.3 -71.1 139.7 -69.7 83.4 113.9 31 32 A S T 3 S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.696 98.8 45.0 -72.3 -26.2 -67.6 86.5 114.8 32 33 A F T 3 S+ 0 0 216 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.221 106.1 68.3-110.2 38.0 -64.7 84.8 116.6 33 34 A S < - 0 0 34 -3,-0.9 0, 0.0 2,-0.1 0, 0.0 -0.956 47.1-169.3-147.5 157.9 -64.1 82.0 114.1 34 35 A D S S+ 0 0 89 -2,-0.3 2,-0.1 43,-0.1 -3,-0.1 -0.093 74.9 86.5-129.4 37.9 -62.9 81.5 110.5 35 36 A G S S- 0 0 18 -5,-0.1 2,-0.7 43,-0.1 -5,-0.1 -0.147 99.5 -85.8-137.7-175.6 -64.1 78.1 110.8 36 37 A G + 0 0 19 45,-0.1 271,-2.9 -2,-0.1 272,-0.3 -0.655 65.0 177.2-108.1 72.4 -66.7 75.4 110.5 37 38 A S B > -J 306 0C 25 -2,-0.7 4,-2.4 269,-0.3 5,-0.3 -0.492 38.9-114.0 -76.0 153.4 -67.6 76.4 114.1 38 39 A Y H > S+ 0 0 11 267,-2.6 4,-2.6 1,-0.2 5,-0.3 0.858 110.2 49.3 -57.4 -48.6 -70.5 74.6 115.7 39 40 A N H > S+ 0 0 103 266,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.939 115.3 42.8 -58.2 -45.2 -72.9 77.5 116.0 40 41 A E H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.904 120.0 41.0 -72.9 -40.3 -72.5 78.7 112.4 41 42 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.921 113.9 52.1 -74.6 -42.3 -72.6 75.2 110.8 42 43 A D H X S+ 0 0 16 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.903 109.3 50.7 -59.7 -43.4 -75.4 73.9 113.0 43 44 A A H X S+ 0 0 51 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.923 111.8 48.0 -60.3 -43.7 -77.5 76.9 112.1 44 45 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.906 111.3 49.8 -61.0 -47.5 -76.9 76.4 108.4 45 46 A V H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.928 110.6 50.2 -60.5 -40.8 -77.7 72.6 108.6 46 47 A R H X S+ 0 0 113 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.888 111.6 48.6 -63.6 -39.7 -81.0 73.4 110.5 47 48 A H H X S+ 0 0 31 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.906 109.6 51.4 -69.6 -38.1 -81.9 75.9 107.9 48 49 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 110.4 50.5 -64.0 -40.1 -81.2 73.5 105.0 49 50 A K H X S+ 0 0 72 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.899 109.6 49.7 -64.3 -42.7 -83.3 70.9 106.7 50 51 A E H X S+ 0 0 111 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.913 110.8 48.9 -63.5 -44.9 -86.2 73.3 107.1 51 52 A M H <>S+ 0 0 4 -4,-2.3 5,-2.6 1,-0.2 4,-0.4 0.926 110.7 51.6 -64.7 -37.2 -86.1 74.3 103.4 52 53 A R H ><5S+ 0 0 90 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.937 109.3 49.8 -58.8 -47.0 -86.0 70.6 102.4 53 54 A D H 3<5S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.7 52.5 -67.0 -22.5 -89.1 69.9 104.5 54 55 A E T 3<5S- 0 0 76 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.382 131.6 -83.6 -97.7 2.3 -90.9 72.9 102.9 55 56 A G T < 5 + 0 0 29 -3,-1.3 -34,-0.3 -4,-0.4 -3,-0.2 0.534 69.7 155.7 115.7 15.8 -90.3 71.8 99.3 56 57 A A < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.1 -34,-0.2 -0.441 22.4-170.9 -69.1 146.9 -86.8 73.0 98.2 57 58 A H S S+ 0 0 32 -36,-3.1 2,-0.3 1,-0.3 -35,-0.2 0.642 73.3 22.9-106.7 -21.7 -85.1 71.1 95.4 58 59 A I E -c 22 0B 2 -37,-1.6 -35,-2.7 34,-0.1 2,-0.5 -0.986 68.3-141.2-142.6 148.5 -81.6 72.6 95.6 59 60 A I E -cd 23 94B 0 34,-2.2 36,-2.3 -2,-0.3 2,-0.5 -0.971 14.7-149.8-116.6 121.0 -79.8 74.4 98.4 60 61 A D E -cd 24 95B 3 -37,-2.7 -35,-2.2 -2,-0.5 2,-0.4 -0.818 17.2-173.5 -96.7 121.7 -77.7 77.5 97.4 61 62 A I E + d 0 96B 0 34,-3.1 36,-2.6 -2,-0.5 2,-0.3 -0.967 5.3 175.8-123.2 124.8 -74.7 78.1 99.7 62 63 A G E - d 0 97B 7 -2,-0.4 36,-0.1 -37,-0.3 3,-0.0 -0.852 26.9-151.6-125.4 168.4 -72.3 81.0 99.6 63 64 A G S S+ 0 0 1 34,-0.7 2,-0.3 -2,-0.3 35,-0.1 0.542 80.4 42.9-116.4 -15.7 -69.3 82.3 101.6 64 65 A E 0 0 80 33,-0.3 5,-0.1 1,-0.1 33,-0.1 -0.812 360.0 360.0-116.5 171.6 -69.4 86.1 101.1 65 66 A S 0 0 137 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.121 360.0 360.0-173.7 360.0 -72.5 88.5 101.3 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 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 109.2 -70.3 89.6 107.8 68 72 A A - 0 0 71 1,-0.1 0, 0.0 -4,-0.0 0, 0.0 -0.416 360.0 -97.6 -65.4 141.7 -66.6 90.2 108.3 69 73 A K - 0 0 206 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.324 49.0-163.8 -58.6 146.2 -64.5 90.9 105.1 70 74 A V - 0 0 25 -3,-0.1 2,-0.1 4,-0.0 -1,-0.0 -0.996 18.5-139.6-144.0 137.1 -62.8 87.8 103.8 71 75 A S > - 0 0 59 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.323 46.9 -92.6 -76.1 172.9 -60.0 86.8 101.3 72 76 A V H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 128.9 50.3 -53.6 -46.4 -60.3 83.8 99.0 73 77 A E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.0 48.6 -61.7 -39.8 -58.7 81.4 101.6 74 78 A E H > S+ 0 0 80 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 108.9 53.2 -68.7 -35.3 -61.1 82.7 104.2 75 79 A E H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.893 109.6 48.4 -67.6 -40.7 -64.1 82.3 101.9 76 80 A I H X S+ 0 0 19 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.948 107.5 54.7 -66.2 -46.4 -63.2 78.7 101.3 77 81 A K H < S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 112.9 45.0 -59.3 -26.4 -62.7 78.0 105.0 78 82 A R H X S+ 0 0 28 -4,-1.3 4,-0.8 -5,-0.1 -1,-0.2 0.915 118.6 38.1 -78.3 -46.0 -66.3 79.3 105.6 79 83 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.856 104.5 64.6 -83.7 -34.1 -68.1 77.5 102.8 80 84 A V H X S+ 0 0 26 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.908 103.0 47.1 -58.1 -47.9 -66.4 74.1 102.8 81 85 A P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 112.8 50.9 -64.8 -32.2 -67.6 73.0 106.3 82 86 A M H X S+ 0 0 9 -4,-0.8 4,-2.6 2,-0.2 5,-0.3 0.936 111.1 46.3 -68.4 -44.6 -71.0 74.1 105.4 83 87 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.928 112.3 52.4 -61.9 -44.1 -71.1 72.2 102.2 84 88 A Q H X S+ 0 0 94 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.943 114.7 40.2 -57.4 -49.5 -69.6 69.1 103.9 85 89 A A H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.894 117.5 46.3 -71.2 -45.5 -72.3 69.1 106.7 86 90 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.950 112.2 52.3 -60.3 -43.5 -75.2 70.0 104.5 87 91 A S H < S+ 0 0 31 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.867 113.8 43.3 -66.3 -32.4 -74.2 67.4 101.9 88 92 A K H < S+ 0 0 164 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 125.3 32.4 -72.2 -37.8 -73.9 64.7 104.6 89 93 A E H < S+ 0 0 34 -4,-2.0 2,-0.5 1,-0.2 -2,-0.2 0.639 114.2 51.9-102.3 -19.2 -77.2 65.6 106.4 90 94 A V S < S- 0 0 0 -4,-2.8 2,-1.9 -5,-0.2 -1,-0.2 -0.982 71.0-143.9-127.1 117.3 -79.6 66.9 103.7 91 95 A K + 0 0 119 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.480 63.9 100.3 -86.5 70.3 -80.2 64.8 100.6 92 96 A L S S- 0 0 27 -2,-1.9 -34,-0.1 -6,-0.2 -2,-0.1 -0.984 78.7 -93.7-141.9 152.4 -80.5 67.6 98.0 93 97 A P - 0 0 3 0, 0.0 -34,-2.2 0, 0.0 2,-0.4 -0.401 39.1-141.9 -67.2 149.9 -78.1 69.0 95.5 94 98 A I E -d 59 0B 0 17,-0.3 19,-2.8 -36,-0.2 20,-1.6 -0.920 6.0-153.1-114.7 136.1 -76.1 72.0 96.5 95 99 A S E -de 60 114B 0 -36,-2.3 -34,-3.1 -2,-0.4 2,-0.7 -0.907 14.1-138.0-104.3 138.8 -75.1 74.9 94.5 96 100 A I E -de 61 115B 0 18,-2.9 20,-3.1 -2,-0.4 2,-1.0 -0.884 10.6-146.1 -96.9 116.8 -72.0 76.9 95.3 97 101 A D E +de 62 116B 38 -36,-2.6 -34,-0.7 -2,-0.7 -33,-0.3 -0.745 52.2 117.9 -81.7 96.0 -72.6 80.7 95.1 98 102 A T - 0 0 2 18,-1.6 21,-0.1 -2,-1.0 -2,-0.1 -0.956 51.8-161.3-159.4 147.2 -69.2 81.9 93.8 99 103 A Y S S+ 0 0 56 -2,-0.3 2,-0.4 18,-0.2 25,-0.3 0.230 71.8 98.1-105.1 8.8 -67.6 83.7 90.8 100 104 A K > - 0 0 17 1,-0.1 4,-2.1 23,-0.1 5,-0.2 -0.837 67.7-144.8-110.0 128.9 -64.1 82.5 91.8 101 105 A A H > S+ 0 0 13 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.885 98.4 48.7 -59.6 -40.8 -62.6 79.5 90.1 102 106 A E H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.876 110.2 50.6 -71.3 -39.2 -60.7 78.2 93.2 103 107 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 110.9 50.5 -60.9 -44.4 -63.8 78.4 95.5 104 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.925 110.5 49.5 -58.3 -47.0 -65.8 76.5 92.9 105 109 A K H X S+ 0 0 82 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.950 114.3 42.4 -62.1 -49.1 -63.2 73.8 92.7 106 110 A Q H X S+ 0 0 71 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.848 112.4 55.3 -67.6 -32.4 -62.9 73.3 96.5 107 111 A A H X>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.2 4,-0.7 0.919 108.7 46.8 -67.7 -41.2 -66.6 73.5 96.9 108 112 A I H ><5S+ 0 0 21 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.927 110.8 52.6 -64.1 -42.1 -67.2 70.7 94.4 109 113 A E H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.836 108.1 52.8 -60.5 -30.0 -64.5 68.7 96.1 110 114 A A H 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.640 136.9 -81.1 -82.7 -13.4 -66.4 69.3 99.4 111 115 A G T <<5S+ 0 0 22 -3,-1.2 -17,-0.3 -4,-0.7 -3,-0.2 0.417 77.6 144.8 132.3 -2.7 -69.6 68.0 97.9 112 116 A A < - 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