==== 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 LYASE 09-SEP-09 3JS3 . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR G.MINASOV,S.H.LIGHT,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,S.N.PET . 1012 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 741 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 158 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 59 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 7 0 0 0 0 0 1 3 5 10 2 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 6 12 4 4 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 4 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 . 4 0 0 0 0 0 4 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 M 0 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.3 18.1 26.3 7.8 2 2 A K - 0 0 58 11,-0.1 197,-0.2 197,-0.0 2,-0.2 -0.865 360.0-118.3-109.6 147.5 14.5 25.3 7.0 3 3 A R - 0 0 92 195,-2.0 2,-0.3 -2,-0.3 -1,-0.0 -0.497 22.3-143.7 -85.5 152.3 12.4 22.9 9.0 4 4 A K - 0 0 100 -2,-0.2 2,-0.7 195,-0.1 9,-0.2 -0.832 10.3-130.4-110.1 155.4 11.1 19.6 7.7 5 5 A V E -A 12 0A 1 7,-2.2 7,-2.8 -2,-0.3 2,-0.4 -0.909 23.6-164.6-111.1 104.6 7.8 18.0 8.4 6 6 A Q E +A 11 0A 86 -2,-0.7 2,-0.4 5,-0.2 5,-0.2 -0.763 13.0 174.2 -91.6 130.1 8.2 14.4 9.4 7 7 A V E > -A 10 0A 7 3,-3.0 3,-1.9 -2,-0.4 2,-0.2 -0.889 64.5 -55.0-136.1 103.2 5.1 12.1 9.4 8 8 A K T 3 S- 0 0 60 -2,-0.4 68,-0.1 1,-0.3 -1,-0.1 -0.432 121.9 -15.7 63.2-128.7 6.0 8.5 10.1 9 9 A N T 3 S+ 0 0 51 66,-0.4 2,-0.4 -2,-0.2 -1,-0.3 0.494 121.4 94.5 -84.0 0.4 8.7 7.3 7.6 10 10 A I E < -A 7 0A 14 -3,-1.9 -3,-3.0 34,-0.1 2,-0.7 -0.791 56.5-162.1-103.9 129.3 8.0 10.3 5.3 11 11 A T E > -A 6 0A 6 -2,-0.4 3,-1.0 -5,-0.2 2,-0.4 -0.885 11.4-155.8-109.6 100.2 9.9 13.6 5.4 12 12 A I E 3 S+A 5 0A 0 -7,-2.8 -7,-2.2 -2,-0.7 212,-0.1 -0.611 78.1 34.7 -77.4 128.4 8.0 16.4 3.7 13 13 A G T 3 S+ 0 0 38 210,-0.4 2,-0.3 -2,-0.4 -1,-0.2 0.520 102.2 84.5 105.9 10.7 10.3 19.1 2.4 14 14 A E S < S- 0 0 67 -3,-1.0 -1,-0.3 2,-0.2 -3,-0.1 -0.999 87.8 -14.4-143.6 140.8 13.3 17.0 1.5 15 15 A G S S+ 0 0 51 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.332 114.5 5.6 69.5-148.0 14.2 15.0 -1.7 16 16 A R S S- 0 0 32 1,-0.1 -2,-0.2 -2,-0.0 -3,-0.2 -0.417 92.5 -93.2 -70.7 146.9 11.5 14.3 -4.2 17 17 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 207,-0.3 -0.285 46.7-111.8 -54.1 146.3 8.1 15.9 -3.7 18 18 A K E -b 224 0B 7 205,-2.5 207,-2.5 -3,-0.1 2,-0.4 -0.676 23.3-131.4 -90.2 133.4 5.7 13.6 -1.8 19 19 A I E -b 225 0B 0 -2,-0.4 26,-2.2 205,-0.2 25,-1.9 -0.708 19.3-165.6 -86.0 130.6 2.7 12.2 -3.6 20 20 A C E -bc 226 45B 0 205,-2.5 207,-2.4 -2,-0.4 26,-0.2 -0.952 2.4-160.2-117.5 128.9 -0.6 12.5 -1.8 21 21 A V E - c 0 46B 0 24,-2.3 26,-2.4 -2,-0.5 207,-0.2 -0.934 13.6-135.9-114.1 125.4 -3.6 10.4 -3.0 22 22 A P E - c 0 47B 4 0, 0.0 2,-0.5 0, 0.0 207,-0.3 -0.479 2.8-149.7 -79.2 149.0 -7.1 11.4 -2.1 23 23 A I E + c 0 48B 0 24,-2.8 26,-2.3 -2,-0.2 29,-0.2 -0.982 23.4 168.4-110.6 123.3 -9.9 9.1 -0.9 24 24 A I + 0 0 18 -2,-0.5 7,-0.1 24,-0.1 -1,-0.1 0.169 15.0 148.4-127.4 22.4 -13.2 10.6 -2.0 25 25 A G - 0 0 7 1,-0.1 27,-0.1 5,-0.1 3,-0.1 -0.148 43.4-144.4 -59.0 151.0 -15.8 7.9 -1.4 26 26 A K S S+ 0 0 78 27,-0.2 28,-2.6 1,-0.1 2,-0.3 0.543 81.5 26.9 -90.9 -11.1 -19.4 8.9 -0.6 27 27 A N S > S- 0 0 56 26,-0.2 4,-2.6 27,-0.1 3,-0.4 -0.989 85.9-101.5-152.5 156.9 -19.8 6.0 1.8 28 28 A K H > S+ 0 0 81 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.860 116.5 54.6 -47.0 -47.8 -17.9 3.5 4.1 29 29 A K H > S+ 0 0 173 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 113.5 40.4 -55.9 -48.0 -18.0 0.7 1.6 30 30 A D H > S+ 0 0 79 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.879 115.1 52.3 -69.6 -39.0 -16.4 2.7 -1.2 31 31 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.946 113.6 42.8 -61.5 -49.7 -13.9 4.4 1.1 32 32 A I H X S+ 0 0 16 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.922 113.4 52.8 -62.8 -41.3 -12.7 1.1 2.5 33 33 A K H X S+ 0 0 113 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.926 111.6 47.8 -60.0 -41.2 -12.7 -0.2 -1.0 34 34 A E H X S+ 0 0 28 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.934 110.8 49.5 -63.5 -47.7 -10.6 2.8 -2.0 35 35 A A H >X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 3,-0.9 0.884 106.7 55.7 -60.7 -40.5 -8.2 2.3 0.9 36 36 A K H >< S+ 0 0 126 -4,-2.7 3,-0.6 1,-0.2 4,-0.4 0.913 104.7 52.9 -61.9 -40.1 -7.7 -1.3 0.2 37 37 A E H 3< S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.676 112.5 46.0 -68.4 -15.4 -6.6 -0.5 -3.4 38 38 A L H X< S+ 0 0 6 -3,-0.9 3,-1.7 -4,-0.7 -1,-0.2 0.555 83.4 93.8-102.4 -12.2 -3.9 1.9 -2.1 39 39 A K T << S+ 0 0 86 -4,-1.1 -2,-0.1 -3,-0.6 -1,-0.1 0.887 101.5 24.6 -47.9 -53.4 -2.3 -0.1 0.7 40 40 A D T 3 S+ 0 0 41 -4,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.035 100.6 117.2-103.5 24.4 0.5 -1.5 -1.4 41 41 A A S < S- 0 0 21 -3,-1.7 2,-1.1 1,-0.1 -3,-0.1 -0.533 77.2-100.5 -89.4 159.1 0.5 1.2 -4.0 42 42 A a S S+ 0 0 25 -2,-0.2 2,-0.3 762,-0.1 202,-0.1 -0.677 75.8 109.3 -85.5 101.3 3.5 3.6 -4.5 43 43 A L - 0 0 22 -2,-1.1 -23,-0.1 1,-0.1 3,-0.1 -0.962 57.1-139.2-161.5 169.3 2.6 6.8 -2.7 44 44 A D S S+ 0 0 10 -25,-1.9 2,-0.3 1,-0.3 -24,-0.2 0.826 78.3 12.6-107.2 -43.3 3.6 8.8 0.3 45 45 A I E -c 20 0B 2 -26,-2.2 -24,-2.3 31,-0.1 2,-0.4 -0.955 59.0-142.5-137.7 152.4 0.5 10.2 2.0 46 46 A I E -cd 21 78B 0 31,-2.3 33,-3.1 -2,-0.3 2,-0.5 -0.958 12.9-154.4-117.2 135.3 -3.3 9.5 1.8 47 47 A E E -cd 22 79B 4 -26,-2.4 -24,-2.8 -2,-0.4 2,-0.9 -0.950 5.9-149.3-108.4 125.3 -5.8 12.4 2.1 48 48 A W E -cd 23 80B 0 31,-3.3 33,-2.4 -2,-0.5 2,-1.9 -0.838 5.4-159.0 -94.8 106.0 -9.3 11.7 3.3 49 49 A R E > + d 0 81B 12 -26,-2.3 3,-2.0 -2,-0.9 4,-0.3 -0.591 16.4 177.4 -81.3 77.7 -11.5 14.2 1.6 50 50 A V G > + 0 0 0 -2,-1.9 3,-1.3 31,-1.1 32,-0.2 0.695 63.8 82.3 -59.5 -21.7 -14.3 13.8 4.2 51 51 A D G 3 S+ 0 0 1 30,-0.8 -1,-0.3 1,-0.3 40,-0.1 0.732 90.7 55.1 -57.5 -20.2 -16.4 16.5 2.5 52 52 A F G < S+ 0 0 43 -3,-2.0 2,-0.3 -29,-0.2 -1,-0.3 0.754 81.3 104.3 -82.4 -24.9 -17.5 13.7 0.1 53 53 A F X - 0 0 1 -3,-1.3 3,-1.4 -4,-0.3 -26,-0.2 -0.398 67.3-144.7 -62.1 119.3 -18.7 11.3 2.9 54 54 A E T 3 S+ 0 0 121 -28,-2.6 3,-0.4 1,-0.3 -1,-0.1 0.875 95.8 45.6 -57.5 -44.2 -22.5 11.4 3.0 55 55 A N T > S+ 0 0 75 -29,-0.3 3,-1.8 1,-0.2 -1,-0.3 -0.053 73.6 131.3 -90.2 38.5 -22.9 11.1 6.8 56 56 A V T < + 0 0 2 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.737 63.6 62.1 -64.9 -22.3 -20.3 13.7 7.5 57 57 A E T 3 S+ 0 0 147 -3,-0.4 2,-0.9 1,-0.1 -1,-0.3 0.643 88.9 79.6 -76.1 -12.8 -22.5 15.6 9.9 58 58 A N <> - 0 0 75 -3,-1.8 4,-1.7 1,-0.2 3,-0.3 -0.827 65.7-167.0 -98.8 101.3 -22.6 12.4 12.2 59 59 A I H > S+ 0 0 43 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.875 83.7 55.9 -59.2 -39.4 -19.3 12.5 14.1 60 60 A K H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 108.5 47.8 -61.2 -39.4 -19.7 8.9 15.3 61 61 A E H > S+ 0 0 47 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.829 109.1 53.8 -73.1 -29.0 -20.1 7.6 11.8 62 62 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 -7,-0.2 -2,-0.2 0.892 110.4 47.2 -67.7 -39.7 -17.1 9.6 10.7 63 63 A K H X S+ 0 0 45 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.918 107.5 56.9 -66.1 -42.2 -15.0 8.0 13.5 64 64 A E H X S+ 0 0 97 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.888 110.4 43.5 -56.0 -42.4 -16.3 4.5 12.6 65 65 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.918 112.2 54.2 -68.1 -43.1 -15.0 5.0 9.0 66 66 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.890 107.9 49.6 -60.1 -41.0 -11.7 6.5 10.4 67 67 A Y H X S+ 0 0 127 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.959 114.3 43.7 -60.6 -55.1 -11.1 3.4 12.6 68 68 A E H X S+ 0 0 85 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.854 113.1 53.4 -59.9 -35.9 -11.7 1.0 9.8 69 69 A L H >X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 3,-0.6 0.925 107.7 49.0 -67.6 -47.6 -9.6 3.1 7.4 70 70 A R H 3X S+ 0 0 21 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.833 103.9 61.9 -59.6 -32.6 -6.6 3.2 9.8 71 71 A S H 3< S+ 0 0 90 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.7 37.2 -62.5 -34.9 -6.8 -0.5 10.2 72 72 A Y H << S+ 0 0 90 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.729 124.9 38.9 -88.8 -23.5 -6.2 -1.0 6.4 73 73 A I H >< S+ 0 0 4 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.509 78.0 164.9-101.3 -6.9 -3.7 1.9 6.1 74 74 A H T 3< S+ 0 0 115 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.067 73.0 12.4 19.3 -80.4 -1.9 1.3 9.4 75 75 A D T 3 S+ 0 0 53 -2,-0.1 -66,-0.4 -3,-0.1 -1,-0.3 -0.119 93.5 114.3-113.1 40.4 1.3 3.3 9.0 76 76 A I S < S- 0 0 32 -3,-1.5 -31,-0.1 -6,-0.1 -68,-0.1 -0.926 77.8-105.3-103.0 126.8 0.7 5.4 5.9 77 77 A P - 0 0 3 0, 0.0 -31,-2.3 0, 0.0 2,-0.5 -0.260 39.1-153.0 -50.9 136.6 0.5 9.1 6.8 78 78 A L E -d 46 0B 1 -33,-0.2 34,-2.3 32,-0.1 35,-2.1 -0.960 11.0-162.2-125.8 119.9 -3.0 10.3 6.7 79 79 A L E -de 47 113B 2 -33,-3.1 -31,-3.3 -2,-0.5 2,-0.5 -0.811 10.5-152.4 -93.2 132.8 -4.2 13.8 6.0 80 80 A F E +de 48 114B 1 33,-2.2 35,-2.3 -2,-0.4 2,-0.4 -0.924 21.2 173.8-108.2 125.2 -7.8 14.7 7.1 81 81 A T E -d 49 0B 0 -33,-2.4 -31,-1.1 -2,-0.5 -30,-0.8 -0.984 26.1-170.6-137.4 122.5 -9.5 17.4 5.0 82 82 A F - 0 0 1 33,-0.4 2,-0.7 -2,-0.4 -33,-0.1 -0.956 23.3-155.0-103.9 109.2 -13.0 18.8 5.0 83 83 A R - 0 0 7 -2,-0.7 8,-0.3 5,-0.1 7,-0.3 -0.781 15.3-139.1 -86.4 116.0 -12.9 21.1 1.9 84 84 A S > > - 0 0 17 -2,-0.7 5,-2.9 5,-0.1 3,-0.9 -0.285 19.0-107.0 -76.7 164.8 -15.6 23.8 2.4 85 85 A V G > 5S+ 0 0 76 6,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.836 116.4 59.4 -57.1 -41.8 -18.0 25.1 -0.3 86 86 A V G 3 5S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.831 112.7 41.3 -59.5 -29.6 -16.2 28.5 -0.7 87 87 A E G < 5S- 0 0 2 -3,-0.9 -1,-0.3 58,-0.1 -2,-0.2 -0.017 138.1 -70.0-113.1 33.4 -13.1 26.5 -1.7 88 88 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.432 88.6 133.5 101.3 0.2 -14.5 23.8 -3.9 89 89 A G < - 0 0 7 -5,-2.9 -1,-0.3 1,-0.1 -5,-0.1 -0.253 44.2-153.1 -74.4 170.2 -16.4 21.6 -1.5 90 90 A E S S+ 0 0 158 -7,-0.3 2,-0.5 -39,-0.1 -1,-0.1 0.587 72.0 77.5-116.8 -25.7 -19.9 20.3 -2.2 91 91 A K - 0 0 53 -8,-0.3 2,-0.4 -40,-0.1 -6,-0.4 -0.805 68.7-148.0 -94.6 127.8 -21.2 19.8 1.4 92 92 A L + 0 0 136 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.0 -0.749 27.2 162.6 -92.4 134.2 -22.3 22.9 3.3 93 93 A I - 0 0 32 -2,-0.4 -8,-0.1 -36,-0.0 5,-0.0 -0.977 40.1 -85.5-148.4 162.3 -21.8 22.8 7.1 94 94 A S > - 0 0 66 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.207 27.0-132.0 -63.3 155.4 -21.6 25.1 10.1 95 95 A R H > S+ 0 0 139 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.812 111.0 55.4 -78.6 -30.2 -18.3 26.8 11.0 96 96 A D H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.898 111.9 44.3 -67.6 -37.5 -18.9 25.8 14.6 97 97 A Y H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.806 104.8 60.9 -76.5 -32.3 -19.1 22.1 13.3 98 98 A Y H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.887 108.7 45.8 -59.1 -37.8 -16.2 22.5 11.0 99 99 A T H X S+ 0 0 10 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.897 113.1 48.4 -69.4 -44.1 -14.1 23.2 14.1 100 100 A T H X S+ 0 0 50 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.853 110.0 51.8 -65.2 -41.6 -15.7 20.3 16.1 101 101 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.962 114.3 43.1 -60.0 -53.2 -15.1 17.8 13.3 102 102 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.869 116.6 47.0 -64.1 -36.4 -11.5 18.8 13.0 103 103 A K H X S+ 0 0 63 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.962 114.6 44.9 -70.0 -50.7 -10.9 18.8 16.8 104 104 A E H X S+ 0 0 76 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.888 116.3 46.7 -60.1 -42.0 -12.7 15.5 17.5 105 105 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.3 5,-0.4 0.905 112.2 50.4 -69.1 -39.7 -10.9 13.8 14.6 106 106 A S H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.3 -2,-0.2 0.881 105.3 59.1 -61.1 -38.9 -7.5 15.4 15.7 107 107 A N H 3< S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.656 89.1 73.2 -65.6 -17.4 -8.2 14.0 19.3 108 108 A T T << S- 0 0 40 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.745 94.5-134.8 -70.0 -25.4 -8.4 10.4 18.0 109 109 A G S < S+ 0 0 47 -3,-1.2 -2,-0.1 -4,-0.4 -3,-0.1 0.383 80.6 105.3 83.2 -1.5 -4.7 10.2 17.5 110 110 A L + 0 0 49 -5,-0.4 2,-0.3 2,-0.0 -4,-0.1 0.606 61.4 68.7 -87.2 -18.0 -5.5 8.5 14.1 111 111 A V - 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