==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-11 3TYD . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR M.-K.YUN,S.W.WHITE . 533 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 12.6 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 . 1 0.2 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 . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 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 6 0 0 0 2 0 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 5 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 PARALLEL BRIDGES PER LADDER . 1 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 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 0 249 0, 0.0 2,-0.5 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 -64.6 -91.2 71.1 76.5 2 3 A W - 0 0 65 1,-0.1 14,-0.1 2,-0.1 13,-0.1 -0.792 360.0-160.6 -86.3 125.4 -87.7 70.3 77.9 3 4 A D S S+ 0 0 152 -2,-0.5 2,-0.3 12,-0.1 -1,-0.1 0.152 70.0 49.1 -94.0 20.6 -86.3 67.2 76.4 4 5 A Y S S- 0 0 32 173,-0.0 11,-0.5 2,-0.0 2,-0.3 -0.952 72.8-123.1-149.0 169.8 -83.9 66.8 79.2 5 6 A D E -A 14 0A 63 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.841 32.4-108.5-112.7 153.3 -83.4 66.7 83.0 6 7 A L E -A 13 0A 2 7,-2.8 7,-2.7 -2,-0.3 2,-0.7 -0.720 35.4-148.1 -85.3 115.1 -81.1 68.8 85.1 7 8 A R E +A 12 0A 111 -2,-0.7 2,-0.4 170,-0.3 5,-0.2 -0.782 25.6 167.4 -95.0 112.1 -78.4 66.5 86.3 8 9 A C E > -A 11 0A 2 3,-2.3 3,-3.2 -2,-0.7 108,-0.1 -0.787 55.9 -90.3-123.6 85.8 -76.9 67.3 89.8 9 10 A G T 3 S- 0 0 61 -2,-0.4 -1,-0.2 1,-0.3 106,-0.0 -0.219 112.1 -2.1 50.1-122.1 -74.8 64.4 91.1 10 11 A E T 3 S+ 0 0 128 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.682 126.7 76.3 -72.9 -15.9 -77.2 62.2 93.0 11 12 A Y E < -A 8 0A 34 -3,-3.2 -3,-2.3 83,-0.0 2,-0.4 -0.676 60.7-161.3-100.5 154.9 -80.2 64.5 92.4 12 13 A T E -A 7 0A 77 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.989 5.5-157.9-137.3 120.2 -82.2 64.9 89.3 13 14 A L E -A 6 0A 16 -7,-2.7 -7,-2.8 -2,-0.4 2,-0.5 -0.882 8.9-144.3-106.5 128.8 -84.4 67.9 88.6 14 15 A N E -A 5 0A 52 -2,-0.5 4,-0.5 -9,-0.2 -9,-0.1 -0.771 7.0-165.4 -92.7 129.4 -87.3 67.7 86.2 15 16 A L S S+ 0 0 2 -11,-0.5 -1,-0.1 -2,-0.5 -10,-0.1 0.474 81.0 50.3 -94.0 -2.7 -87.8 70.9 84.3 16 17 A N S S+ 0 0 49 -14,-0.1 -1,-0.1 256,-0.1 3,-0.1 0.739 96.7 59.1-106.2 -28.9 -91.3 70.1 83.0 17 18 A E S S- 0 0 100 1,-0.2 2,-0.3 255,-0.2 -2,-0.1 0.896 113.7 -9.1 -79.7 -39.5 -93.5 68.9 85.9 18 19 A K S S- 0 0 80 -4,-0.5 2,-0.4 231,-0.1 -1,-0.2 -0.994 75.5 -87.7-153.5 153.5 -93.4 72.0 88.2 19 20 A T - 0 0 2 -2,-0.3 2,-0.4 244,-0.2 231,-0.2 -0.538 52.3-127.2 -56.1 118.0 -91.8 75.4 88.8 20 21 A L E -b 250 0B 5 229,-2.4 231,-1.9 -2,-0.4 2,-0.5 -0.601 16.7-140.7 -84.0 128.3 -88.7 74.6 90.9 21 22 A I E -b 251 0B 3 -2,-0.4 35,-2.5 33,-0.3 36,-1.7 -0.762 8.4-159.3 -96.1 123.2 -88.3 76.5 94.1 22 23 A M E -bc 252 57B 1 229,-3.3 231,-2.4 -2,-0.5 2,-0.4 -0.901 14.1-145.1-101.3 116.3 -84.8 77.7 95.1 23 24 A G E -bc 253 58B 0 34,-3.6 36,-3.1 -2,-0.6 2,-0.6 -0.644 12.7-129.7 -83.3 130.8 -84.6 78.4 98.9 24 25 A I E - c 0 59B 3 229,-2.0 2,-0.6 -2,-0.4 36,-0.2 -0.721 23.3-176.8 -83.8 122.1 -82.4 81.3 99.9 25 26 A L E - c 0 60B 4 34,-2.4 36,-1.8 -2,-0.6 2,-0.6 -0.897 12.5-157.3-115.9 101.2 -79.9 80.5 102.7 26 27 A N E + c 0 61B 68 -2,-0.6 36,-0.2 34,-0.2 34,-0.1 -0.685 22.3 165.4 -88.0 118.2 -78.0 83.6 103.6 27 28 A V + 0 0 7 34,-3.2 35,-0.2 -2,-0.6 -1,-0.1 0.072 23.5 136.5-122.4 17.6 -74.8 82.7 105.2 28 29 A T - 0 0 7 33,-0.3 2,-0.2 1,-0.1 35,-0.1 -0.558 57.6-117.3 -78.3 128.3 -73.0 86.0 105.1 29 30 A P - 0 0 9 0, 0.0 41,-2.6 0, 0.0 3,-0.1 -0.450 17.4-163.1 -68.2 134.9 -71.2 86.9 108.3 30 31 A D S S+ 0 0 111 39,-0.3 2,-0.3 1,-0.2 -2,-0.0 0.541 81.6 11.4 -93.4 -10.3 -72.4 90.0 110.1 31 32 A S S S- 0 0 64 39,-0.1 2,-0.3 38,-0.0 -1,-0.2 -0.960 97.0 -81.1-153.1 161.5 -69.1 90.0 112.1 32 33 A F 0 0 142 -2,-0.3 40,-0.0 -3,-0.1 39,-0.0 -0.531 360.0 360.0 -65.0 123.8 -65.7 88.3 112.0 33 34 A S 0 0 89 -2,-0.3 3,-0.0 3,-0.0 -2,-0.0 -0.966 360.0 360.0-137.0 360.0 -66.1 84.8 113.7 34 ! 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 35 37 A G 0 0 19 0, 0.0 273,-1.3 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 -48.9 -67.6 77.9 111.7 36 38 A S B >> -J 307 0C 50 271,-0.2 4,-1.7 1,-0.1 3,-1.1 -0.213 360.0-108.5 -59.0 144.2 -69.0 77.8 115.3 37 39 A Y H 3> S+ 0 0 10 269,-1.2 4,-3.6 1,-0.2 5,-0.4 0.831 112.3 63.5 -36.0 -54.6 -72.0 75.5 116.0 38 40 A N H 3> S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 109.4 37.7 -43.1 -50.6 -74.5 78.4 116.4 39 41 A E H <> S+ 0 0 52 -3,-1.1 4,-2.0 2,-0.2 5,-0.2 0.979 120.4 43.5 -70.2 -56.7 -74.2 79.5 112.8 40 42 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.3 3,-0.3 0.927 115.7 50.0 -59.8 -45.5 -73.9 76.2 111.1 41 43 A D H X S+ 0 0 14 -4,-3.6 4,-2.3 1,-0.2 -1,-0.3 0.887 110.7 49.7 -57.1 -41.7 -76.7 74.7 113.2 42 44 A A H X S+ 0 0 44 -4,-1.6 4,-1.4 -5,-0.4 -1,-0.2 0.808 109.7 51.2 -71.6 -28.7 -78.9 77.7 112.4 43 45 A A H X S+ 0 0 7 -4,-2.0 4,-2.6 -3,-0.3 -1,-0.2 0.892 109.7 50.6 -73.9 -39.1 -78.2 77.3 108.7 44 46 A V H X S+ 0 0 3 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.934 109.6 49.1 -63.2 -46.6 -79.1 73.6 108.9 45 47 A R H X S+ 0 0 115 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.859 112.2 48.7 -66.2 -32.9 -82.4 74.2 110.7 46 48 A H H X S+ 0 0 66 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.915 111.2 49.9 -71.9 -40.9 -83.3 76.9 108.1 47 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.936 111.8 48.6 -60.1 -42.8 -82.4 74.6 105.3 48 50 A K H X S+ 0 0 76 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.899 109.3 53.7 -63.2 -38.2 -84.5 71.9 106.9 49 51 A E H X S+ 0 0 89 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.932 110.0 46.4 -60.1 -48.9 -87.4 74.4 107.3 50 52 A M H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.9 0.899 109.7 53.4 -66.8 -39.9 -87.3 75.2 103.6 51 53 A R H ><5S+ 0 0 91 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.968 112.5 45.4 -56.7 -49.0 -87.2 71.6 102.6 52 54 A D H 3<5S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.845 110.7 55.4 -59.6 -31.0 -90.2 71.1 104.7 53 55 A E H 3<5S- 0 0 64 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.488 130.0 -84.7 -87.0 -7.2 -91.8 74.2 103.2 54 56 A G T <<5S+ 0 0 27 -3,-1.2 -33,-0.3 -4,-0.9 -3,-0.2 0.501 71.9 152.7 120.9 6.9 -91.5 73.1 99.6 55 57 A A < - 0 0 6 -5,-2.8 -1,-0.3 1,-0.1 -33,-0.2 -0.435 24.9-173.5 -72.1 141.2 -88.0 74.0 98.4 56 58 A H S S+ 0 0 45 -35,-2.5 2,-0.3 1,-0.2 -34,-0.2 0.582 73.3 30.2-103.4 -15.7 -86.3 72.0 95.7 57 59 A I E -c 22 0B 0 -36,-1.7 -34,-3.6 37,-0.1 2,-0.6 -0.999 66.2-141.3-141.7 143.5 -82.9 73.7 95.9 58 60 A I E -cd 23 96B 0 37,-2.4 39,-2.8 -2,-0.3 2,-0.8 -0.928 12.9-160.0-106.0 121.0 -80.8 75.4 98.6 59 61 A D E -cd 24 97B 1 -36,-3.1 -34,-2.4 -2,-0.6 2,-0.6 -0.836 8.5-167.6 -98.4 100.1 -78.9 78.5 97.5 60 62 A I E +cd 25 98B 0 37,-2.2 39,-2.6 -2,-0.8 2,-0.4 -0.777 12.6 172.0 -90.3 118.7 -76.0 79.1 100.0 61 63 A G E +cd 26 99B 9 -36,-1.8 -34,-3.2 -2,-0.6 -33,-0.3 -0.991 23.6 176.7-128.4 138.6 -74.4 82.5 99.6 62 64 A G S S+ 0 0 0 37,-0.6 19,-0.1 -2,-0.4 10,-0.1 -0.129 72.4 73.5-126.5 33.7 -71.9 84.2 101.8 63 65 A E + 0 0 40 36,-0.2 -1,-0.1 -35,-0.1 -37,-0.0 0.113 55.8 150.7-133.1 18.0 -71.4 87.4 99.7 64 66 A S - 0 0 46 1,-0.1 5,-0.0 -3,-0.1 -38,-0.0 -0.213 49.9-125.5 -53.6 147.1 -74.6 89.3 100.4 65 67 A T - 0 0 110 1,-0.3 -1,-0.1 6,-0.0 3,-0.1 0.004 47.3-167.4-101.7 31.8 -73.8 93.0 100.1 66 68 A R - 0 0 116 1,-0.2 -1,-0.3 4,-0.1 2,-0.2 -0.283 51.2-143.5 79.5-158.7 -75.1 94.3 103.4 67 69 A P S S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.625 113.8 15.8 -62.9 154.6 -75.9 96.7 105.1 68 70 A G S S+ 0 0 58 1,-0.3 2,-0.3 -2,-0.2 -2,-0.1 0.295 98.7 117.3 98.6 -8.6 -74.5 95.1 108.2 69 71 A F - 0 0 55 1,-0.1 -1,-0.3 -6,-0.0 -39,-0.3 -0.648 63.7-115.2 -94.7 150.9 -72.4 92.3 106.6 70 72 A A - 0 0 20 -41,-2.6 2,-0.4 -2,-0.3 -39,-0.1 -0.588 26.0-108.4 -88.5 144.1 -68.7 92.1 106.9 71 73 A K - 0 0 157 -2,-0.2 2,-0.5 -6,-0.0 -1,-0.1 -0.570 43.1-161.3 -67.6 123.5 -66.2 92.4 104.1 72 74 A V - 0 0 19 -2,-0.4 2,-0.1 -10,-0.1 -10,-0.0 -0.949 10.6-140.6-122.6 124.3 -64.9 88.9 103.5 73 75 A S >> - 0 0 45 -2,-0.5 4,-2.0 1,-0.1 3,-0.8 -0.378 32.6-105.4 -75.4 158.6 -61.7 87.9 101.7 74 76 A V H 3> S+ 0 0 53 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.917 119.0 46.9 -54.3 -53.7 -61.7 84.8 99.5 75 77 A E H 3> S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.720 113.6 52.2 -64.2 -19.3 -59.8 82.4 101.8 76 78 A E H <> S+ 0 0 76 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.836 106.3 51.4 -82.6 -37.5 -62.1 83.6 104.6 77 79 A E H X S+ 0 0 0 -4,-2.0 4,-3.5 -3,-0.4 5,-0.3 0.888 108.1 52.4 -69.4 -42.1 -65.3 82.9 102.7 78 80 A I H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.951 109.0 49.7 -55.6 -50.4 -64.2 79.3 101.9 79 81 A K H < S+ 0 0 138 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.854 119.8 38.8 -59.1 -35.4 -63.5 78.6 105.6 80 82 A R H X S+ 0 0 21 -4,-1.6 4,-0.9 2,-0.1 -2,-0.2 0.924 121.5 39.2 -78.7 -48.1 -66.9 80.0 106.4 81 83 A V H X S+ 0 0 1 -4,-3.5 4,-1.9 2,-0.2 -3,-0.2 0.727 104.9 65.7 -83.8 -24.9 -69.1 78.7 103.6 82 84 A V H X S+ 0 0 22 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.969 101.9 47.2 -62.7 -55.5 -67.5 75.2 103.2 83 85 A P H > S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.884 110.5 54.8 -51.2 -41.2 -68.6 73.9 106.7 84 86 A M H X S+ 0 0 2 -4,-0.9 4,-2.1 1,-0.2 5,-0.2 0.920 111.0 44.7 -56.8 -45.5 -72.1 75.2 105.9 85 87 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.935 110.8 53.3 -66.2 -45.6 -72.2 73.2 102.7 86 88 A Q H < S+ 0 0 102 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.844 114.3 40.7 -61.1 -38.4 -70.8 70.0 104.3 87 89 A A H >X S+ 0 0 10 -4,-2.0 4,-1.7 -5,-0.2 3,-0.9 0.957 115.1 49.0 -77.4 -51.2 -73.4 69.9 107.0 88 90 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 3,-0.5 0.927 111.7 48.0 -54.5 -50.4 -76.5 71.0 104.9 89 91 A S H 3< S+ 0 0 23 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.697 113.2 51.4 -67.3 -16.6 -75.8 68.5 102.1 90 92 A K H <4 S+ 0 0 154 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.770 123.1 26.0 -86.7 -29.5 -75.3 65.8 104.8 91 93 A E H < S+ 0 0 49 -4,-1.7 2,-0.4 -3,-0.5 -2,-0.2 0.469 118.0 59.6-116.2 -5.6 -78.6 66.4 106.6 92 94 A V S < S- 0 0 0 -4,-2.5 2,-1.9 -5,-0.3 -1,-0.2 -0.894 70.8-150.8-131.5 103.3 -80.7 67.9 103.9 93 95 A K + 0 0 127 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.517 60.8 103.0 -78.2 83.4 -81.2 65.6 101.0 94 96 A L S S- 0 0 23 -2,-1.9 2,-0.2 -6,-0.1 -37,-0.1 -0.959 78.5 -94.6-161.6 141.2 -81.6 68.4 98.4 95 97 A P - 0 0 3 0, 0.0 -37,-2.4 0, 0.0 2,-0.4 -0.495 40.4-148.0 -68.8 144.2 -79.3 69.8 95.7 96 98 A I E -d 58 0B 0 17,-0.3 19,-2.9 -39,-0.2 20,-1.6 -0.905 7.6-157.9-117.3 135.6 -77.3 72.9 96.8 97 99 A S E -de 59 116B 0 -39,-2.8 -37,-2.2 -2,-0.4 2,-0.5 -0.834 15.8-133.6-105.6 153.0 -76.2 75.8 94.7 98 100 A I E -de 60 117B 0 18,-2.3 20,-2.9 -2,-0.3 2,-1.2 -0.947 11.2-147.0-111.5 121.0 -73.3 78.1 95.6 99 101 A D E +de 61 118B 21 -39,-2.6 -37,-0.6 -2,-0.5 2,-0.3 -0.740 52.9 111.8 -93.1 91.0 -74.0 81.8 95.3 100 102 A T - 0 0 0 -2,-1.2 21,-0.2 18,-1.1 20,-0.2 -0.958 54.3-155.8-150.7 162.0 -70.7 83.3 94.3 101 103 A Y S S+ 0 0 66 -2,-0.3 2,-0.4 18,-0.2 25,-0.3 0.286 71.6 102.3-118.6 0.0 -68.9 85.0 91.3 102 104 A K > - 0 0 38 1,-0.1 4,-1.6 23,-0.1 5,-0.1 -0.707 64.1-149.0 -87.0 134.9 -65.5 84.0 92.6 103 105 A A H > S+ 0 0 11 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.899 95.3 49.5 -70.0 -45.9 -63.8 81.0 90.9 104 106 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.802 109.0 55.3 -67.8 -27.4 -61.9 79.6 93.9 105 107 A V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.981 108.5 45.8 -64.6 -58.3 -65.0 79.7 96.0 106 108 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.875 108.6 57.4 -50.2 -47.7 -67.1 77.6 93.7 107 109 A K H X S+ 0 0 77 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.977 113.1 38.8 -45.8 -66.9 -64.3 75.1 93.3 108 110 A Q H X S+ 0 0 58 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.804 112.7 57.9 -57.0 -34.5 -64.2 74.5 97.0 109 111 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 -1,-0.2 0.930 109.6 43.2 -63.8 -48.0 -68.0 74.6 97.4 110 112 A I H ><5S+ 0 0 20 -4,-2.8 3,-3.1 -3,-0.3 -2,-0.2 0.956 112.3 53.3 -58.5 -54.0 -68.6 71.8 94.9 111 113 A E H 3<5S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.875 107.2 54.0 -46.0 -41.8 -65.7 69.8 96.5 112 114 A A T 3<5S- 0 0 7 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.397 137.2 -84.6 -80.4 4.2 -67.6 70.3 99.7 113 115 A G T < 5S+ 0 0 26 -3,-3.1 -17,-0.3 1,-0.3 -3,-0.2 0.486 79.4 141.0 114.8 2.7 -70.8 68.9 98.2 114 116 A A < - 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