==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-MAY-95 1DAF . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HUANG,J.JIA,G.SCHNEIDER,Y.LINDQVIST . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.6 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 0 0 0 2 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 2 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 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 S 0 0 76 0, 0.0 2,-0.3 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 144.6 13.0 40.6 26.3 2 2 A K E -a 111 0A 91 108,-2.2 110,-2.4 2,-0.0 2,-0.4 -0.659 360.0-169.2 -71.6 137.5 13.8 39.8 22.7 3 3 A R E +a 112 0A 51 -2,-0.3 2,-0.3 108,-0.2 110,-0.2 -0.999 11.5 177.3-136.2 135.4 10.5 38.7 21.2 4 4 A Y E -a 113 0A 16 108,-1.9 110,-3.1 -2,-0.4 2,-0.5 -0.997 19.1-144.9-137.7 144.9 10.0 37.1 17.8 5 5 A F E -ab 114 141A 4 135,-2.9 137,-2.9 -2,-0.3 2,-0.6 -0.930 15.6-150.1-105.2 134.4 6.8 35.7 16.1 6 6 A V E +ab 115 142A 0 108,-3.2 110,-2.1 -2,-0.5 2,-0.2 -0.891 20.7 171.2-108.5 124.2 7.2 32.6 13.9 7 7 A T E - b 0 143A 2 135,-2.6 137,-2.8 -2,-0.6 2,-0.3 -0.686 16.6-142.5-118.4 173.6 4.9 32.1 10.9 8 8 A G E - b 0 144A 1 110,-0.4 112,-0.5 -2,-0.2 137,-0.2 -0.905 26.9-116.9-133.2 162.6 4.9 29.6 8.0 9 9 A T S S- 0 0 16 135,-1.6 2,-0.3 -2,-0.3 110,-0.1 0.643 99.2 -20.8 -70.1 -13.4 4.1 29.5 4.2 10 10 A D S > S- 0 0 72 134,-0.2 3,-0.5 108,-0.2 5,-0.2 -0.945 87.8 -68.9-172.2 174.2 1.3 27.1 5.1 11 11 A T T 3 S+ 0 0 64 -2,-0.3 108,-0.0 1,-0.2 106,-0.0 -0.524 115.6 25.1 -70.4 153.9 0.2 24.6 7.9 12 12 A E T 3 S+ 0 0 158 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.865 81.7 119.9 53.1 45.8 2.4 21.5 8.2 13 13 A V S < S- 0 0 2 -3,-0.5 134,-0.1 131,-0.0 -1,-0.1 0.403 93.9 -88.4-109.1 -1.1 5.5 23.1 6.7 14 14 A G S > S+ 0 0 18 132,-0.1 4,-3.0 3,-0.1 5,-0.2 0.672 75.7 144.6 99.7 21.2 7.7 22.6 9.8 15 15 A K H > S+ 0 0 13 -5,-0.2 4,-2.1 1,-0.2 5,-0.1 0.910 81.4 45.3 -53.3 -42.0 7.0 25.8 11.9 16 16 A T H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 112.7 49.2 -70.3 -41.0 7.3 23.7 15.1 17 17 A V H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.948 114.3 46.1 -63.8 -44.3 10.5 21.9 13.9 18 18 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.853 109.6 54.4 -66.5 -35.8 12.1 25.2 13.0 19 19 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.861 107.1 51.1 -64.0 -37.5 11.0 26.9 16.4 20 20 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.928 110.5 49.7 -67.4 -39.7 12.7 24.0 18.3 21 21 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.940 111.7 48.0 -63.2 -43.7 15.8 24.6 16.3 22 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.897 112.4 48.7 -63.6 -39.8 15.6 28.4 17.0 23 23 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.911 110.0 51.7 -67.4 -40.1 15.1 27.7 20.8 24 24 A Q H X S+ 0 0 39 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.925 110.6 48.2 -64.0 -43.8 18.0 25.3 20.9 25 25 A A H X S+ 0 0 13 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.901 111.2 50.5 -62.8 -38.2 20.3 27.9 19.2 26 26 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.5 0.894 109.4 50.0 -69.0 -38.8 19.2 30.7 21.7 27 27 A K H ><5S+ 0 0 122 -4,-2.2 3,-1.6 2,-0.2 -1,-0.2 0.926 109.0 53.5 -63.2 -43.1 19.8 28.4 24.7 28 28 A A H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.850 104.3 55.5 -64.8 -29.1 23.3 27.7 23.3 29 29 A A H 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.649 125.9-102.2 -75.9 -9.9 23.8 31.5 23.1 30 30 A G T <<5S+ 0 0 63 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.521 71.7 143.2 104.0 6.7 23.1 31.8 26.8 31 31 A Y < - 0 0 69 -5,-2.2 2,-0.9 1,-0.1 -1,-0.3 -0.449 56.1-123.5 -78.7 152.1 19.5 33.1 26.8 32 32 A R - 0 0 133 -2,-0.1 78,-1.7 31,-0.1 79,-1.6 -0.896 47.9-158.9 -87.9 103.6 16.8 32.2 29.3 33 33 A T E +c 111 0A 0 -2,-0.9 31,-1.4 76,-0.2 30,-0.4 -0.633 26.2 178.7-100.2 153.4 14.2 30.9 26.7 34 34 A A E -c 112 0A 0 77,-1.7 79,-2.3 -2,-0.3 2,-0.4 -0.990 15.5-150.2-148.7 132.1 10.5 30.4 26.5 35 35 A G E -c 113 0A 0 -2,-0.3 2,-0.4 23,-0.2 79,-0.2 -0.839 14.9-166.8 -97.3 146.2 8.3 29.1 23.7 36 36 A Y E +c 114 0A 0 77,-2.3 79,-3.1 -2,-0.4 36,-0.2 -0.994 18.5 174.5-138.9 119.4 4.7 30.4 23.5 37 37 A K - 0 0 9 34,-2.8 37,-0.3 -2,-0.4 79,-0.1 -0.869 11.4-176.4-120.2 89.0 2.0 28.9 21.3 38 38 A P + 0 0 0 0, 0.0 36,-1.8 0, 0.0 2,-0.4 0.865 69.9 32.1 -63.8 -32.9 -1.1 30.9 22.5 39 39 A V E +g 74 0B 0 76,-0.3 2,-0.3 34,-0.1 36,-0.2 -0.983 68.8 170.3-124.8 133.5 -3.6 29.1 20.3 40 40 A A E -g 75 0B 0 34,-2.2 36,-2.1 -2,-0.4 2,-0.4 -0.997 10.8-172.8-141.9 140.0 -3.4 25.4 19.3 41 41 A S E +g 76 0B 31 -2,-0.3 36,-0.2 34,-0.2 37,-0.1 -0.996 61.6 58.2-132.0 141.6 -5.9 23.1 17.6 42 42 A G S S+ 0 0 24 34,-1.6 11,-0.5 -2,-0.4 2,-0.3 0.754 71.0 161.1 99.7 79.0 -5.4 19.3 17.2 43 43 A S - 0 0 16 34,-1.8 9,-0.3 9,-0.2 2,-0.2 -0.923 33.9-126.3-139.5 152.8 -4.9 17.9 20.7 44 44 A E E -H 51 0C 149 7,-2.9 7,-2.3 -2,-0.3 2,-0.2 -0.703 27.0-113.2 -96.8 152.0 -5.0 14.7 22.7 45 45 A K E +H 50 0C 183 -2,-0.2 5,-0.2 5,-0.2 -1,-0.0 -0.584 41.9 161.9 -81.1 138.1 -6.9 13.8 25.9 46 46 A T E > -H 49 0C 52 3,-0.7 3,-1.6 -2,-0.2 0, 0.0 -0.936 55.1 -91.9-139.0 173.3 -4.9 13.2 29.1 47 47 A P T 3 S+ 0 0 140 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.757 125.7 49.8 -54.6 -23.6 -5.7 13.1 32.9 48 48 A E T 3 S- 0 0 152 1,-0.4 2,-0.3 3,-0.0 -3,-0.0 0.507 123.0 -88.4 -97.2 1.7 -4.8 16.7 33.0 49 49 A G E < S-H 46 0C 35 -3,-1.6 -3,-0.7 2,-0.0 -1,-0.4 -0.810 72.9 -23.1 116.3-176.1 -6.9 18.1 30.1 50 50 A L E -H 45 0C 55 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.527 57.3-166.9 -74.6 142.7 -6.1 18.4 26.5 51 51 A R E -H 44 0C 59 -7,-2.3 -7,-2.9 -2,-0.2 2,-0.4 -0.998 10.3-147.0-135.5 132.8 -2.5 18.6 25.3 52 52 A N > - 0 0 4 -2,-0.4 4,-2.1 -9,-0.3 -9,-0.2 -0.881 12.7-139.1 -99.3 134.4 -1.2 19.7 21.9 53 53 A S H > S+ 0 0 79 -11,-0.5 4,-2.0 -2,-0.4 -1,-0.1 0.824 101.7 51.9 -64.1 -34.7 2.0 18.0 20.6 54 54 A D H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.961 110.6 47.4 -71.0 -40.7 3.5 21.3 19.1 55 55 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.891 111.1 52.5 -63.1 -39.5 3.0 23.1 22.4 56 56 A L H X S+ 0 0 51 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.870 106.9 53.1 -64.2 -36.2 4.6 20.1 24.2 57 57 A A H X S+ 0 0 1 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.912 111.4 45.6 -64.9 -36.4 7.6 20.4 21.8 58 58 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.913 111.0 53.6 -72.7 -39.5 8.0 24.1 22.7 59 59 A Q H >< S+ 0 0 51 -4,-2.6 3,-1.1 1,-0.2 7,-0.2 0.947 111.9 43.2 -62.2 -48.0 7.7 23.4 26.4 60 60 A R H 3< S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.653 113.0 52.3 -77.9 -14.1 10.4 20.7 26.4 61 61 A N H 3< S+ 0 0 23 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.471 88.8 97.6 -94.2 -2.6 12.7 22.8 24.2 62 62 A S S << S- 0 0 10 -3,-1.1 -28,-0.2 -4,-0.8 4,-0.1 -0.528 74.1-135.9 -76.0 152.2 12.5 25.9 26.4 63 63 A S S S+ 0 0 46 -30,-0.4 2,-0.2 -2,-0.1 -29,-0.1 0.836 85.4 70.4 -83.5 -26.2 15.4 26.4 28.9 64 64 A L S S- 0 0 28 -31,-1.4 2,-0.7 1,-0.1 -2,-0.1 -0.527 93.3-111.9 -81.5 150.9 13.1 27.3 31.8 65 65 A Q - 0 0 198 -2,-0.2 2,-0.4 -31,-0.0 -2,-0.1 -0.754 49.6-177.7 -81.2 116.8 10.8 24.7 33.5 66 66 A L - 0 0 16 -2,-0.7 2,-0.2 -7,-0.2 -4,-0.1 -0.915 28.0-117.3-122.9 146.7 7.3 26.0 32.4 67 67 A D >> - 0 0 123 -2,-0.4 4,-1.2 1,-0.1 3,-0.9 -0.575 30.4-118.3 -76.1 147.5 3.8 24.9 33.1 68 68 A Y H >> S+ 0 0 14 1,-0.2 4,-2.6 -2,-0.2 3,-1.0 0.897 111.1 53.0 -54.3 -48.8 1.8 23.7 30.1 69 69 A A H 34 S+ 0 0 66 1,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.765 104.3 57.2 -63.6 -22.6 -1.0 26.5 30.4 70 70 A T H <4 S+ 0 0 40 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.845 112.6 40.8 -73.0 -33.9 1.7 29.1 30.4 71 71 A V H << S+ 0 0 0 -4,-1.2 -34,-2.8 -3,-1.0 -2,-0.2 0.849 134.1 18.4 -80.0 -37.8 3.0 27.8 27.0 72 72 A N < + 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.720 59.6 170.7-141.8 87.6 -0.4 27.2 25.6 73 73 A P S S+ 0 0 47 0, 0.0 2,-0.6 0, 0.0 -34,-0.1 0.812 74.7 52.3 -65.5 -31.1 -3.5 29.0 27.1 74 74 A Y E +g 39 0B 20 -36,-1.8 -34,-2.2 -37,-0.3 2,-0.5 -0.925 66.9 172.5-115.2 109.7 -6.0 28.0 24.4 75 75 A T E -g 40 0B 31 -2,-0.6 2,-0.4 -36,-0.2 -34,-0.2 -0.965 5.7-176.9-121.0 123.6 -6.1 24.3 23.6 76 76 A F E -g 41 0B 0 -36,-2.1 -34,-1.6 -2,-0.5 -33,-0.1 -0.928 21.4-144.6-122.8 142.9 -8.7 22.8 21.2 77 77 A A S S+ 0 0 43 -2,-0.4 -34,-1.8 -35,-0.2 -1,-0.1 0.950 76.6 75.8 -73.9 -43.6 -9.1 19.1 20.3 78 78 A E S S- 0 0 93 -36,-0.2 2,-2.1 -37,-0.1 -36,-0.2 -0.468 80.0-128.9 -77.0 132.0 -10.1 19.2 16.7 79 79 A P S S+ 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.380 70.7 102.9 -76.6 67.0 -7.4 20.0 14.0 80 80 A T S S- 0 0 43 -2,-2.1 -4,-0.1 1,-0.1 0, 0.0 -0.711 84.1 -51.4-132.4-175.2 -9.3 22.8 12.2 81 81 A S >> - 0 0 34 -2,-0.2 3,-1.4 1,-0.1 4,-1.4 -0.394 51.7-129.3 -60.8 131.6 -9.2 26.6 12.1 82 82 A P H 3> S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.830 103.6 60.5 -54.2 -37.2 -9.4 28.1 15.7 83 83 A H H 3> S+ 0 0 46 40,-1.3 4,-1.6 2,-0.2 5,-0.1 0.809 104.0 50.4 -66.7 -27.0 -12.3 30.4 14.9 84 84 A I H <> S+ 0 0 81 -3,-1.4 4,-2.3 39,-0.2 -1,-0.2 0.974 116.1 38.5 -74.0 -52.0 -14.6 27.5 14.0 85 85 A I H X S+ 0 0 9 -4,-1.4 4,-2.2 2,-0.2 6,-0.2 0.871 112.2 57.9 -71.1 -31.7 -13.9 25.4 17.1 86 86 A S H X>S+ 0 0 12 -4,-2.8 5,-2.2 -5,-0.2 4,-1.0 0.953 111.5 43.1 -56.0 -50.5 -13.8 28.5 19.4 87 87 A A H ><5S+ 0 0 74 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.909 113.1 52.7 -62.6 -41.3 -17.4 29.4 18.3 88 88 A Q H 3<5S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 115.0 40.4 -63.9 -37.6 -18.6 25.8 18.5 89 89 A E H 3<5S- 0 0 92 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.528 106.5-120.6 -87.5 -14.1 -17.4 25.4 22.0 90 90 A G T <<5S+ 0 0 63 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.837 71.9 128.1 73.7 33.0 -18.4 28.7 23.4 91 91 A R < - 0 0 145 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.823 49.4-148.5-121.5 94.5 -14.8 29.7 24.3 92 92 A P - 0 0 98 0, 0.0 2,-0.9 0, 0.0 33,-0.1 -0.278 12.1-130.3 -55.8 139.7 -13.8 33.1 22.9 93 93 A I - 0 0 12 31,-0.3 2,-0.5 -10,-0.0 3,-0.1 -0.854 31.1-155.9 -95.7 110.3 -10.1 33.7 22.0 94 94 A E > - 0 0 88 -2,-0.9 4,-2.1 1,-0.1 3,-0.5 -0.782 21.3-149.0 -96.3 128.7 -9.4 36.9 23.7 95 95 A S H > S+ 0 0 17 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.863 100.8 56.6 -56.3 -38.7 -6.6 39.3 22.6 96 96 A L H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 107.3 47.7 -64.5 -38.5 -6.2 40.5 26.2 97 97 A V H > S+ 0 0 63 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.886 111.3 49.9 -69.2 -43.4 -5.5 36.9 27.4 98 98 A M H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.912 114.5 45.5 -60.7 -43.2 -3.0 36.2 24.6 99 99 A S H X S+ 0 0 14 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.898 110.1 53.6 -67.3 -39.5 -1.1 39.4 25.4 100 100 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 106.3 53.6 -62.8 -40.0 -1.2 38.8 29.2 101 101 A G H X S+ 0 0 15 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.889 106.9 50.9 -62.1 -40.6 0.4 35.4 28.6 102 102 A L H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.939 110.8 49.2 -62.3 -42.3 3.2 37.0 26.6 103 103 A R H < S+ 0 0 95 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.895 106.5 56.3 -64.7 -39.2 3.8 39.4 29.5 104 104 A A H >< S+ 0 0 30 -4,-2.4 3,-1.1 1,-0.2 4,-0.4 0.896 107.6 48.5 -60.3 -39.4 3.9 36.6 32.0 105 105 A L H >X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-1.6 0.887 102.0 62.2 -70.6 -35.4 6.7 34.9 30.1 106 106 A E T 3< S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.580 92.4 68.0 -63.5 -11.3 8.7 38.1 29.9 107 107 A Q T <4 S+ 0 0 161 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.750 117.9 20.3 -76.1 -26.5 8.9 38.0 33.7 108 108 A Q T <4 S+ 0 0 69 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.2 0.682 119.7 57.6-116.2 -23.3 11.0 34.9 33.6 109 109 A A < - 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