==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-AUG-12 4GUI . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.H.LIGHT,G.MINASOV,M.-E.DUBAN,L.SHUVALOVA,K.KWON,A.LAVIE, . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 4 0 0 0 0 0 0 2 0 6 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 1 7 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 142 0, 0.0 2,-0.3 0, 0.0 196,-0.2 0.000 360.0 360.0 360.0 44.4 -2.4 1.8 34.8 2 3 A T - 0 0 79 194,-0.1 2,-0.4 195,-0.1 9,-0.2 -0.922 360.0-152.8-126.8 153.8 -4.0 -1.6 34.2 3 4 A V E -A 10 0A 19 7,-2.3 7,-3.0 -2,-0.3 2,-0.6 -0.986 11.2-151.4-124.1 126.6 -7.5 -3.0 34.6 4 5 A T E +A 9 0A 89 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.887 14.9 177.7-105.0 122.9 -8.1 -6.7 35.3 5 6 A V E > S-A 8 0A 7 3,-2.5 3,-2.1 -2,-0.6 2,-0.2 -0.966 71.0 -48.5-121.6 107.2 -11.3 -8.3 34.0 6 7 A R T 3 S- 0 0 83 -2,-0.5 68,-0.0 1,-0.3 67,-0.0 -0.474 122.5 -25.1 60.9-127.4 -11.2 -12.0 34.9 7 8 A D T 3 S+ 0 0 138 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.462 117.5 104.0 -91.6 -2.2 -7.7 -13.3 33.8 8 9 A L E < -A 5 0A 21 -3,-2.1 -3,-2.5 34,-0.1 2,-0.7 -0.702 56.4-159.5 -85.9 126.8 -7.4 -10.5 31.2 9 10 A V E > -A 4 0A 35 -2,-0.5 3,-0.8 -5,-0.2 2,-0.4 -0.895 9.8-158.5-107.8 105.1 -5.1 -7.6 32.0 10 11 A V E 3 S+A 3 0A 2 -7,-3.0 -7,-2.3 -2,-0.7 3,-0.1 -0.681 73.7 37.6 -86.1 131.9 -6.0 -4.6 29.9 11 12 A G T 3 S+ 0 0 39 210,-0.4 2,-0.3 -2,-0.4 -1,-0.2 0.412 99.0 92.7 107.8 4.6 -3.2 -1.9 29.5 12 13 A E S < S- 0 0 127 -3,-0.8 -1,-0.4 2,-0.2 -3,-0.1 -0.969 84.8 -17.1-129.8 144.4 -0.4 -4.5 29.3 13 14 A G S S+ 0 0 47 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.256 113.3 1.1 64.8-147.4 1.3 -6.1 26.2 14 15 A A S S- 0 0 27 1,-0.1 -2,-0.2 -3,-0.0 -3,-0.2 -0.372 93.0 -86.5 -72.6 151.7 -0.5 -6.2 22.8 15 16 A P - 0 0 6 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.244 46.0-116.6 -58.8 147.9 -3.9 -4.5 22.5 16 17 A K E -b 222 0B 28 205,-2.1 207,-2.6 -3,-0.1 2,-0.5 -0.592 22.7-125.9 -87.5 147.7 -6.9 -6.6 23.4 17 18 A I E -b 223 0B 0 -2,-0.2 25,-2.7 205,-0.2 26,-2.0 -0.833 22.9-171.0-100.5 126.6 -9.5 -7.5 20.8 18 19 A I E -bc 224 43B 1 205,-2.6 207,-2.3 -2,-0.5 2,-0.3 -0.908 1.8-168.8-113.6 140.2 -13.1 -6.7 21.5 19 20 A V E -bc 225 44B 0 24,-1.7 26,-3.2 -2,-0.4 2,-0.5 -0.976 17.3-129.0-126.6 151.8 -15.9 -8.0 19.3 20 21 A S E - c 0 45B 4 205,-0.5 2,-0.5 -2,-0.3 207,-0.3 -0.847 10.3-152.9-106.0 127.8 -19.6 -7.0 19.3 21 22 A L E - c 0 46B 0 24,-3.1 26,-2.5 -2,-0.5 2,-0.5 -0.847 15.7-171.6 -97.1 129.7 -22.4 -9.5 19.4 22 23 A M + 0 0 13 -2,-0.5 2,-0.3 24,-0.2 26,-0.1 -0.960 16.1 150.9-130.0 112.3 -25.6 -8.2 17.8 23 24 A G - 0 0 5 -2,-0.5 27,-0.1 24,-0.4 29,-0.1 -0.996 34.5-153.8-144.3 140.9 -28.9 -10.0 18.0 24 25 A K S S+ 0 0 134 -2,-0.3 28,-2.1 27,-0.2 29,-0.5 0.898 82.1 26.9 -77.5 -44.7 -32.6 -8.9 18.0 25 26 A T S > S- 0 0 57 26,-0.2 4,-3.0 27,-0.1 5,-0.2 -0.723 86.3-105.5-116.8 167.4 -34.1 -11.8 19.9 26 27 A I H > S+ 0 0 35 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.873 123.4 56.1 -59.3 -35.9 -32.8 -14.3 22.5 27 28 A T H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 109.7 43.4 -61.0 -46.8 -32.8 -16.8 19.7 28 29 A D H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 112.0 54.5 -64.8 -43.6 -30.6 -14.6 17.5 29 30 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.933 109.8 46.3 -57.8 -45.2 -28.4 -13.9 20.5 30 31 A K H X S+ 0 0 90 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.900 112.5 50.5 -63.1 -42.3 -27.8 -17.6 21.3 31 32 A S H X S+ 0 0 69 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.902 111.6 47.3 -62.2 -44.6 -27.1 -18.3 17.6 32 33 A E H X S+ 0 0 41 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.896 108.4 55.3 -64.5 -41.5 -24.5 -15.5 17.4 33 34 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.916 106.6 51.9 -59.1 -41.6 -22.9 -16.6 20.6 34 35 A L H >< S+ 0 0 108 -4,-2.0 3,-0.7 1,-0.2 4,-0.4 0.923 111.9 45.5 -58.0 -47.3 -22.4 -20.1 19.1 35 36 A A H >< S+ 0 0 37 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.911 108.0 57.6 -62.9 -42.2 -20.8 -18.6 16.0 36 37 A Y H >< S+ 0 0 2 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.676 88.3 74.4 -68.0 -15.3 -18.6 -16.3 18.2 37 38 A R T << S+ 0 0 142 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.767 93.3 57.3 -62.4 -25.7 -17.1 -19.4 20.0 38 39 A E T < S+ 0 0 168 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.124 93.4 85.7 -94.4 18.9 -15.2 -20.0 16.8 39 40 A A S < S- 0 0 19 -3,-1.5 2,-0.8 2,-0.0 188,-0.1 -0.897 76.2-125.3-119.6 151.2 -13.5 -16.5 16.7 40 41 A D + 0 0 79 -2,-0.3 2,-0.3 187,-0.0 202,-0.2 -0.830 55.0 125.3 -98.8 104.0 -10.3 -15.4 18.5 41 42 A F - 0 0 2 -2,-0.8 -23,-0.2 1,-0.1 3,-0.1 -0.903 52.2-136.2-147.8 175.2 -10.9 -12.3 20.7 42 43 A D S S+ 0 0 25 -25,-2.7 2,-0.4 1,-0.3 -24,-0.2 0.747 83.2 29.7-109.1 -35.5 -10.5 -11.2 24.3 43 44 A I E -c 18 0B 3 -26,-2.0 -24,-1.7 31,-0.2 2,-0.6 -0.993 66.2-141.8-133.1 136.6 -13.7 -9.4 25.4 44 45 A L E -cd 19 76B 2 31,-2.7 33,-3.3 -2,-0.4 2,-0.5 -0.905 14.4-162.5-100.1 115.0 -17.2 -10.0 24.2 45 46 A E E -cd 20 77B 4 -26,-3.2 -24,-3.1 -2,-0.6 2,-0.7 -0.875 6.8-152.1 -93.4 125.8 -19.2 -6.8 23.9 46 47 A W E -cd 21 78B 0 31,-3.4 33,-2.5 -2,-0.5 2,-1.3 -0.903 8.4-146.5 -97.8 115.8 -23.0 -7.3 23.7 47 48 A R E > - d 0 79B 16 -26,-2.5 3,-1.5 -2,-0.7 -24,-0.4 -0.698 19.0-178.0 -84.7 92.8 -24.5 -4.5 21.8 48 49 A V G > S+ 0 0 0 31,-2.0 3,-1.3 -2,-1.3 32,-0.2 0.693 71.8 72.6 -67.5 -22.5 -27.8 -4.3 23.7 49 50 A D G 3 S+ 0 0 1 30,-0.7 -1,-0.3 1,-0.3 31,-0.1 0.694 92.6 58.4 -69.4 -15.5 -29.2 -1.5 21.4 50 51 A H G < S+ 0 0 44 -3,-1.5 2,-0.4 -29,-0.2 -1,-0.3 0.616 86.9 97.0 -83.1 -14.2 -29.7 -4.2 18.7 51 52 A F X - 0 0 1 -3,-1.3 3,-0.6 -4,-0.2 -27,-0.2 -0.627 68.3-148.5 -81.9 128.3 -31.9 -6.2 21.1 52 53 A A T 3 S+ 0 0 44 -28,-2.1 2,-0.7 -2,-0.4 3,-0.3 0.879 88.6 48.0 -66.7 -43.8 -35.6 -5.6 20.5 53 54 A N T > + 0 0 90 -29,-0.5 3,-1.4 1,-0.2 7,-0.3 -0.318 65.4 138.4 -98.3 53.5 -37.1 -6.0 24.0 54 55 A V T < + 0 0 8 -2,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 0.759 66.7 60.9 -68.5 -25.7 -34.6 -3.7 25.8 55 56 A T T 3 S+ 0 0 102 -3,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.481 89.5 78.6 -81.4 -1.8 -37.3 -2.1 28.0 56 57 A T X> - 0 0 66 -3,-1.4 4,-2.0 1,-0.2 3,-0.7 -0.875 67.1-166.1-107.1 97.6 -38.2 -5.6 29.5 57 58 A A H 3> S+ 0 0 54 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.836 84.1 56.0 -53.1 -40.3 -35.4 -6.2 32.1 58 59 A E H 3> S+ 0 0 162 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 107.8 48.1 -64.3 -36.8 -36.2 -9.9 32.5 59 60 A S H <> S+ 0 0 27 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.923 111.4 51.2 -67.6 -45.2 -35.7 -10.6 28.7 60 61 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 -7,-0.3 -2,-0.2 0.941 111.9 46.2 -56.7 -47.7 -32.4 -8.6 28.8 61 62 A L H X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.845 110.0 53.8 -68.2 -30.7 -31.1 -10.6 31.7 62 63 A E H X S+ 0 0 110 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.932 110.1 47.8 -66.1 -43.5 -32.2 -13.9 30.1 63 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.926 111.5 49.3 -61.8 -45.2 -30.3 -12.9 27.0 64 65 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.900 111.0 51.4 -60.3 -40.6 -27.2 -12.0 29.0 65 66 A G H X S+ 0 0 19 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.897 107.5 52.2 -63.1 -41.2 -27.6 -15.3 30.8 66 67 A A H X S+ 0 0 4 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.888 107.8 51.2 -63.4 -41.5 -27.7 -17.2 27.5 67 68 A I H >X S+ 0 0 0 -4,-2.2 4,-3.6 1,-0.2 3,-0.6 0.951 109.0 52.1 -59.3 -47.8 -24.5 -15.6 26.3 68 69 A R H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.3 53.0 -61.3 -31.6 -22.8 -16.6 29.5 69 70 A E H 3< S+ 0 0 146 -4,-1.5 -1,-0.3 -5,-0.1 3,-0.2 0.804 119.8 34.4 -71.7 -30.7 -23.8 -20.2 29.1 70 71 A I H << S+ 0 0 28 -4,-1.3 2,-0.8 -3,-0.6 -2,-0.2 0.871 123.9 39.8 -91.5 -46.1 -22.3 -20.3 25.6 71 72 A I < + 0 0 8 -4,-3.6 -1,-0.3 -5,-0.2 3,-0.2 -0.875 69.5 155.3-108.0 94.3 -19.3 -18.0 25.9 72 73 A T + 0 0 83 -2,-0.8 -1,-0.1 -3,-0.2 -4,-0.1 0.666 61.8 53.8 -96.0 -20.8 -17.9 -18.9 29.4 73 74 A D S S+ 0 0 107 2,-0.1 -1,-0.1 -67,-0.0 -5,-0.0 0.076 93.3 77.4-107.6 22.6 -14.2 -17.9 29.1 74 75 A K S S- 0 0 41 -3,-0.2 -31,-0.2 -6,-0.1 -68,-0.1 -0.992 82.9-107.9-133.8 138.7 -14.4 -14.3 28.0 75 76 A P - 0 0 2 0, 0.0 -31,-2.7 0, 0.0 2,-0.5 -0.407 35.7-135.1 -60.9 142.4 -15.2 -11.1 29.9 76 77 A L E -d 44 0B 2 -33,-0.2 34,-1.9 32,-0.1 35,-1.8 -0.908 14.9-162.7-107.6 124.2 -18.7 -9.8 29.0 77 78 A L E -de 45 111B 0 -33,-3.3 -31,-3.4 -2,-0.5 2,-0.7 -0.932 9.6-148.3-108.2 121.4 -19.1 -6.1 28.3 78 79 A F E +de 46 112B 1 33,-2.7 35,-2.0 -2,-0.5 2,-0.5 -0.833 23.7 175.0 -93.6 114.4 -22.7 -4.8 28.4 79 80 A T E -d 47 0B 0 -33,-2.5 -31,-2.0 -2,-0.7 2,-0.8 -0.930 23.0-177.0-131.7 113.1 -23.2 -1.9 25.9 80 81 A F - 0 0 1 -2,-0.5 2,-0.7 33,-0.4 -33,-0.1 -0.922 20.8-159.2 -99.5 107.4 -26.4 -0.0 25.0 81 82 A R - 0 0 11 -2,-0.8 8,-0.6 5,-0.1 7,-0.4 -0.827 16.6-131.5 -90.2 116.8 -25.1 2.4 22.3 82 83 A S B > > -i 89 0C 16 -2,-0.7 5,-2.3 5,-0.2 3,-1.7 -0.377 11.3-124.0 -72.0 144.3 -27.7 5.2 22.1 83 84 A A G > 5S+ 0 0 43 6,-1.4 3,-2.3 1,-0.3 7,-0.1 0.901 112.6 65.1 -51.1 -43.3 -29.0 6.3 18.7 84 85 A K G 3 5S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 6,-0.1 0.797 109.0 39.4 -48.7 -36.7 -27.8 9.8 19.6 85 86 A E G < 5S- 0 0 9 -3,-1.7 -1,-0.3 58,-0.1 -2,-0.2 -0.127 138.1 -74.0-109.9 33.5 -24.2 8.4 19.5 86 87 A G T < 5S+ 0 0 35 -3,-2.3 -3,-0.3 1,-0.2 -2,-0.1 0.499 91.6 127.4 94.9 4.8 -24.5 6.0 16.5 87 88 A G < - 0 0 13 -5,-2.3 -1,-0.2 2,-0.1 -5,-0.2 -0.198 66.2-110.1 -86.8-176.7 -26.6 3.2 18.0 88 89 A E S S+ 0 0 123 -7,-0.4 2,-0.3 1,-0.1 -6,-0.1 0.612 89.8 30.9 -92.1 -15.1 -29.8 1.5 16.8 89 90 A Q B -i 82 0C 59 -8,-0.6 -6,-1.4 2,-0.0 2,-0.3 -0.988 65.7-134.5-147.6 148.7 -32.4 2.7 19.4 90 91 A A - 0 0 80 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.0 -0.823 21.9-179.5-106.8 145.8 -33.1 5.7 21.7 91 92 A L - 0 0 35 -2,-0.3 2,-0.0 -36,-0.0 -2,-0.0 -0.957 34.1-100.2-136.7 155.8 -34.1 5.5 25.3 92 93 A T > - 0 0 85 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.341 41.4-106.7 -70.0 159.8 -34.9 8.1 27.9 93 94 A T H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 122.2 50.7 -53.7 -46.0 -32.0 8.9 30.3 94 95 A G H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 110.2 47.7 -59.8 -43.5 -33.9 7.1 33.1 95 96 A Q H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 112.9 49.9 -63.5 -45.1 -34.5 3.9 31.0 96 97 A Y H X S+ 0 0 10 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.915 113.3 44.9 -60.2 -46.8 -30.8 3.9 29.9 97 98 A I H X S+ 0 0 17 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.941 113.7 48.9 -65.9 -45.9 -29.5 4.3 33.5 98 99 A D H X S+ 0 0 104 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.842 107.5 56.4 -62.5 -34.4 -31.9 1.6 34.9 99 100 A L H X S+ 0 0 13 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.940 111.0 43.4 -61.4 -48.1 -30.9 -0.8 32.1 100 101 A N H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.875 112.1 52.2 -66.0 -39.3 -27.3 -0.6 33.1 101 102 A R H X S+ 0 0 82 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.882 108.5 52.3 -63.8 -37.6 -28.0 -0.8 36.8 102 103 A A H X S+ 0 0 24 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.870 109.8 48.6 -64.6 -38.5 -30.0 -4.0 36.0 103 104 A A H X>S+ 0 0 1 -4,-1.7 4,-0.6 2,-0.2 6,-0.6 0.912 110.7 50.5 -66.1 -45.4 -27.0 -5.4 34.1 104 105 A V H ><5S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.956 111.3 49.8 -55.8 -50.7 -24.7 -4.5 37.0 105 106 A D H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.720 96.0 70.7 -58.9 -30.8 -27.1 -6.2 39.5 106 107 A S H 3<5S- 0 0 35 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.754 90.6-138.7 -63.2 -28.2 -27.4 -9.4 37.5 107 108 A G T <<5S+ 0 0 60 -3,-1.2 -1,-0.1 -4,-0.6 -3,-0.1 0.571 78.6 104.7 75.6 10.3 -23.9 -10.6 38.3 108 109 A L < + 0 0 45 -5,-0.6 2,-0.4 1,-0.0 -4,-0.1 0.620 64.9 64.1 -97.5 -16.2 -23.7 -11.7 34.6 109 110 A V - 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