==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE(PEPTIDOGLYCAN SYNTHESIS) 18-JUL-94 2DLN . COMPND 2 MOLECULE: D-ALANINE--D-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.KNOX,P.C.MOEWS,C.FAN . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 3 0 0 2 1 3 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 M 0 0 159 0, 0.0 2,-4.1 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 138.4 6.4 20.8 72.5 2 2 A T + 0 0 98 1,-0.2 2,-2.2 52,-0.1 54,-0.3 -0.311 360.0 73.7 73.2 -52.3 3.3 18.6 72.4 3 3 A D S S+ 0 0 76 -2,-4.1 33,-0.6 52,-0.1 2,-0.6 -0.546 71.0 160.0 -85.0 61.6 4.4 19.0 68.8 4 4 A K E -ab 36 55A 58 -2,-2.2 52,-2.0 50,-0.6 53,-1.0 -0.856 28.6-150.8 -88.5 121.0 7.2 16.6 69.5 5 5 A I E -ab 37 57A 3 31,-3.1 33,-1.4 -2,-0.6 2,-0.5 -0.758 2.9-140.7-102.0 148.9 8.2 15.4 66.0 6 6 A A E -ab 38 58A 0 51,-1.5 53,-3.7 -2,-0.3 2,-0.6 -0.962 5.4-158.1-114.2 131.4 9.7 12.0 65.3 7 7 A V E -ab 39 59A 0 31,-2.8 33,-2.3 -2,-0.5 2,-0.8 -0.942 12.8-149.9-112.2 99.7 12.4 11.7 62.7 8 8 A L E +ab 40 60A 0 51,-2.2 53,-2.5 -2,-0.6 2,-0.2 -0.620 33.8 154.5 -76.2 104.5 12.5 8.1 61.5 9 9 A L + 0 0 17 -2,-0.8 2,-0.6 31,-0.8 11,-0.2 -0.735 44.1 23.4-124.3 169.6 16.1 7.3 60.6 10 10 A G + 0 0 1 6,-0.3 53,-0.4 51,-0.3 3,-0.4 -0.649 63.0 158.1 78.1-111.1 18.1 4.1 60.4 11 11 A G - 0 0 6 -2,-0.6 32,-0.1 1,-0.2 55,-0.1 -0.532 56.8 -81.6 86.9-153.0 15.8 1.1 60.0 12 12 A T S S+ 0 0 106 53,-0.3 -1,-0.2 -2,-0.2 54,-0.1 0.007 80.2 117.8-137.2 22.8 17.1 -2.1 58.6 13 13 A S S > S- 0 0 28 -3,-0.4 3,-0.9 50,-0.2 51,-0.1 -0.155 81.6 -99.6 -83.5-173.6 17.1 -1.9 54.8 14 14 A A T 3 S+ 0 0 53 1,-0.2 3,-0.3 2,-0.1 50,-0.1 0.612 127.3 58.0 -77.3 -15.5 20.2 -2.1 52.6 15 15 A E T >> S+ 0 0 10 48,-0.4 4,-2.1 1,-0.2 3,-0.9 0.259 71.6 118.9 -98.2 10.2 19.9 1.7 52.6 16 16 A R H <> S+ 0 0 59 -3,-0.9 4,-1.6 1,-0.2 -6,-0.3 0.723 70.6 49.1 -45.9 -44.5 20.2 1.9 56.3 17 17 A E H 3> S+ 0 0 128 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.751 109.8 50.8 -75.6 -26.0 23.4 4.0 56.5 18 18 A V H <> S+ 0 0 4 -3,-0.9 4,-3.7 2,-0.2 259,-0.3 0.902 109.3 53.7 -72.0 -41.9 22.2 6.6 54.0 19 19 A S H X S+ 0 0 0 -4,-2.1 4,-3.7 2,-0.3 -2,-0.2 0.904 106.2 50.2 -57.4 -46.3 19.0 6.8 56.2 20 20 A L H X S+ 0 0 40 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.825 115.6 45.5 -60.2 -34.7 21.1 7.5 59.3 21 21 A N H X S+ 0 0 87 -4,-1.1 4,-1.2 2,-0.2 -2,-0.3 0.895 113.9 46.1 -77.7 -44.3 22.8 10.2 57.3 22 22 A S H X S+ 0 0 0 -4,-3.7 4,-2.0 1,-0.2 3,-0.3 0.905 114.5 51.0 -61.4 -46.1 19.6 11.6 55.8 23 23 A G H X S+ 0 0 0 -4,-3.7 4,-1.7 38,-0.3 -1,-0.2 0.790 103.8 55.7 -61.8 -37.0 18.1 11.5 59.3 24 24 A A H X S+ 0 0 54 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.829 111.0 46.7 -65.5 -36.0 21.0 13.3 61.0 25 25 A A H X S+ 0 0 29 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.889 110.2 49.1 -72.9 -48.9 20.5 16.2 58.5 26 26 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.866 108.7 58.4 -59.8 -38.6 16.8 16.5 58.8 27 27 A L H X S+ 0 0 28 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.973 111.9 35.8 -55.9 -63.6 17.3 16.6 62.6 28 28 A A H X S+ 0 0 46 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.833 116.4 56.3 -60.0 -37.3 19.5 19.6 62.8 29 29 A G H X S+ 0 0 3 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.931 111.4 42.9 -60.3 -48.3 17.6 21.2 59.9 30 30 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 3,-0.3 0.866 114.3 48.6 -64.6 -45.6 14.4 20.9 61.9 31 31 A R H ><5S+ 0 0 115 -4,-2.3 3,-0.9 3,-0.3 -1,-0.2 0.757 108.7 56.1 -67.4 -29.5 15.9 22.0 65.2 32 32 A E H 3<5S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.724 105.5 50.9 -73.3 -26.3 17.5 25.0 63.4 33 33 A G T 3<5S- 0 0 43 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.107 130.8-100.1 -95.9 14.9 13.9 25.9 62.2 34 34 A G T < 5S+ 0 0 69 -3,-0.9 2,-0.3 1,-0.2 -3,-0.3 0.599 74.1 142.5 71.5 25.6 12.9 25.7 65.9 35 35 A I < - 0 0 39 -5,-2.6 2,-1.2 -8,-0.1 -1,-0.2 -0.647 54.8-127.3 -96.6 149.1 11.2 22.2 66.0 36 36 A D E +a 4 0A 46 -33,-0.6 -31,-3.1 -2,-0.3 2,-0.3 -0.768 47.5 166.1 -94.8 87.5 11.4 19.7 68.8 37 37 A A E -a 5 0A 0 -2,-1.2 -31,-0.2 -33,-0.2 -33,-0.0 -0.828 18.4-163.5-107.6 144.7 12.5 16.7 66.7 38 38 A Y E -a 6 0A 76 -33,-1.4 -31,-2.8 -2,-0.3 2,-0.4 -0.983 24.0-115.1-133.6 138.9 13.9 13.4 68.0 39 39 A P E -a 7 0A 75 0, 0.0 2,-0.4 0, 0.0 -31,-0.2 -0.603 32.7-178.0 -77.7 124.6 15.8 10.6 66.4 40 40 A V E -a 8 0A 7 -33,-2.3 -31,-0.8 -2,-0.4 -2,-0.0 -0.870 7.8-167.4-128.6 97.0 13.8 7.4 66.3 41 41 A D > - 0 0 17 -2,-0.4 4,-1.3 -33,-0.2 3,-0.5 -0.809 14.2-151.5 -91.0 116.6 15.5 4.3 64.8 42 42 A P T 4 S+ 0 0 38 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.592 91.9 75.5 -57.7 -16.0 13.0 1.6 64.2 43 43 A K T 4 S+ 0 0 121 -32,-0.1 3,-0.1 3,-0.1 -2,-0.1 -0.135 115.0 15.7 -87.7 32.6 15.9 -0.9 64.7 44 44 A E T 4 S+ 0 0 158 1,-0.8 -4,-0.0 -3,-0.5 2,-0.0 -0.112 119.7 53.5-160.9 -80.1 15.6 -0.2 68.4 45 45 A V S < S- 0 0 47 -4,-1.3 -1,-0.8 1,-0.1 2,-0.7 -0.322 86.6-115.4 -68.6 149.1 12.4 1.5 69.5 46 46 A D > - 0 0 86 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.860 17.3-149.7 -91.9 116.3 9.1 -0.2 68.4 47 47 A V G > S+ 0 0 23 -2,-0.7 3,-1.5 1,-0.3 4,-0.2 0.632 91.3 74.9 -57.3 -18.5 7.5 2.3 66.1 48 48 A T G 3 S+ 0 0 82 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.752 90.4 54.5 -65.8 -29.1 4.1 0.9 67.3 49 49 A Q G < S+ 0 0 93 -3,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.224 76.9 110.0 -91.1 15.8 4.5 2.8 70.6 50 50 A L S X >S+ 0 0 1 -3,-1.5 5,-1.2 1,-0.2 3,-0.7 0.845 80.7 42.8 -54.6 -46.5 5.0 6.0 68.5 51 51 A K G > 5S+ 0 0 110 -3,-0.5 3,-1.9 1,-0.2 -1,-0.2 0.888 108.1 59.8 -68.4 -43.0 1.6 7.4 69.7 52 52 A S G 3 5S+ 0 0 111 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.445 100.9 58.9 -67.7 0.0 2.2 6.2 73.2 53 53 A M G < 5S- 0 0 77 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.253 114.2-112.1-112.7 4.8 5.3 8.5 73.2 54 54 A G T < 5 + 0 0 32 -3,-1.9 -50,-0.6 1,-0.2 2,-0.4 0.679 58.8 153.1 70.4 26.3 3.5 11.8 72.5 55 55 A F E < -b 4 0A 20 -5,-1.2 -1,-0.2 1,-0.1 -50,-0.2 -0.741 25.7-168.0 -86.4 130.8 4.7 12.6 68.9 56 56 A Q E S+ 0 0 79 -52,-2.0 2,-0.3 -2,-0.4 -51,-0.2 0.700 70.9 14.8 -88.9 -28.0 2.2 14.7 67.1 57 57 A K E -b 5 0A 50 -53,-1.0 -51,-1.5 24,-0.2 2,-0.4 -0.935 67.8-139.1-145.3 163.5 3.8 14.3 63.7 58 58 A V E -bc 6 83A 0 24,-1.6 26,-1.6 -2,-0.3 2,-0.6 -0.997 2.0-159.2-135.4 135.4 6.3 12.2 62.0 59 59 A F E -b 7 0A 0 -53,-3.7 -51,-2.2 -2,-0.4 2,-0.7 -0.955 20.0-146.1-108.9 115.1 9.1 13.0 59.5 60 60 A I E +b 8 0A 5 -2,-0.6 -51,-0.1 -53,-0.2 -53,-0.1 -0.810 31.4 161.2 -88.5 110.1 10.1 9.8 57.6 61 61 A A + 0 0 2 -53,-2.5 -38,-0.3 -2,-0.7 -51,-0.3 -0.081 41.2 115.7-116.3 27.5 13.8 9.9 56.8 62 62 A L - 0 0 9 5,-0.2 2,-0.4 -53,-0.2 -51,-0.1 -0.701 51.6-151.5 -95.3 148.1 13.9 6.1 56.1 63 63 A H - 0 0 4 -53,-0.4 -48,-0.4 -2,-0.3 -50,-0.2 -0.973 48.4 -1.4-126.7 136.0 14.7 4.6 52.7 64 64 A G S >> S+ 0 0 0 -2,-0.4 4,-3.0 210,-0.1 3,-1.2 -0.493 106.7 1.5 91.4-160.3 13.7 1.4 51.1 65 65 A R T 34 S+ 0 0 72 82,-0.3 -53,-0.3 1,-0.2 -2,-0.1 -0.479 126.6 31.7 -68.5 131.4 11.6 -1.5 52.3 66 66 A G T 34 S+ 0 0 40 -2,-0.2 6,-0.3 -55,-0.1 -1,-0.2 -0.153 132.3 30.1 109.3 -32.7 10.2 -0.9 55.8 67 67 A G T <4 S+ 0 0 2 -3,-1.2 -2,-0.2 4,-0.1 -5,-0.2 0.600 120.5 40.6-128.0 -23.0 10.0 2.9 55.4 68 68 A E S < S+ 0 0 8 -4,-3.0 27,-0.2 4,-0.1 205,-0.2 0.329 101.8 78.2-108.9 1.2 9.3 3.9 51.8 69 69 A D S > S- 0 0 26 -5,-0.4 4,-0.6 25,-0.1 3,-0.3 -0.518 103.2 -90.3-101.6 176.7 6.8 1.1 51.1 70 70 A G H > S+ 0 0 12 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.599 105.3 85.6 -65.2 -13.4 3.1 1.3 52.3 71 71 A T H >> S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.950 91.9 36.7 -52.6 -70.4 3.8 -0.5 55.7 72 72 A L H 3> S+ 0 0 10 -3,-0.3 4,-2.4 -6,-0.3 5,-0.2 0.924 118.9 53.0 -51.9 -49.4 4.9 2.3 58.0 73 73 A Q H 3X S+ 0 0 8 -4,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.792 106.1 54.3 -55.6 -35.2 2.5 4.6 56.3 74 74 A G H X S+ 0 0 45 -4,-1.9 4,-1.9 1,-0.2 3,-0.6 0.935 111.8 50.8 -60.5 -53.3 0.3 1.9 60.6 76 76 A L H 3X>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.3 4,-1.4 0.839 104.7 57.5 -56.6 -40.9 0.5 5.7 61.0 77 77 A E H 3<5S+ 0 0 94 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.850 112.0 43.0 -58.6 -34.9 -2.8 6.2 59.2 78 78 A L H <<5S+ 0 0 158 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.780 111.1 52.2 -82.4 -30.3 -4.3 3.9 61.8 79 79 A M H <5S- 0 0 30 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.606 109.8-126.7 -79.5 -17.0 -2.5 5.6 64.7 80 80 A G T <5 + 0 0 59 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.740 60.0 141.8 75.0 28.9 -3.8 8.9 63.4 81 81 A L < - 0 0 9 -5,-1.7 -1,-0.3 -24,-0.0 -24,-0.2 -0.883 52.0-123.7-104.4 129.6 -0.5 10.6 63.2 82 82 A P - 0 0 34 0, 0.0 -24,-1.6 0, 0.0 2,-0.3 -0.402 32.9-177.1 -68.2 146.9 0.5 12.9 60.4 83 83 A Y B -c 58 0A 0 -26,-0.2 223,-1.8 2,-0.1 -24,-0.2 -0.946 29.3-105.9-144.7 153.7 3.7 11.9 58.5 84 84 A T S S+ 0 0 0 -26,-1.6 -25,-0.1 -2,-0.3 -1,-0.1 0.768 76.9 26.5 -58.3 -54.1 5.6 13.5 55.7 85 85 A G S S- 0 0 6 1,-0.2 221,-0.2 167,-0.2 -2,-0.1 0.394 92.3 -16.8 -94.0-137.1 5.3 11.9 52.2 86 86 A S - 0 0 1 187,-0.6 -1,-0.2 167,-0.3 164,-0.1 -0.149 64.6-104.9 -66.5 164.1 3.1 9.8 50.0 87 87 A G > - 0 0 15 162,-0.4 4,-1.4 4,-0.0 5,-0.2 0.026 45.4 -79.3 -77.2-175.4 0.2 7.7 51.1 88 88 A V H > S+ 0 0 66 -15,-0.2 4,-1.9 1,-0.2 3,-0.4 0.968 126.1 42.5 -52.5 -62.1 -0.1 3.9 51.5 89 89 A M H > S+ 0 0 101 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.857 113.7 46.9 -56.2 -52.2 -0.7 3.2 47.8 90 90 A A H > S+ 0 0 2 159,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.739 113.3 49.9 -67.0 -27.0 1.9 5.6 46.2 91 91 A S H X S+ 0 0 1 -4,-1.4 4,-1.4 -3,-0.4 -1,-0.2 0.838 114.9 45.6 -77.8 -35.7 4.6 4.4 48.6 92 92 A A H X S+ 0 0 50 -4,-1.9 4,-1.0 -23,-0.3 -2,-0.2 0.920 115.9 46.7 -70.4 -46.4 3.7 0.8 47.7 93 93 A L H < S+ 0 0 28 -4,-3.1 7,-0.2 1,-0.2 -2,-0.2 0.828 112.2 48.3 -60.6 -46.1 3.6 1.7 44.0 94 94 A S H < S+ 0 0 3 -4,-1.8 177,-0.3 1,-0.2 -1,-0.2 0.820 103.8 58.5 -67.3 -40.5 6.9 3.6 43.9 95 95 A M H < S+ 0 0 13 -4,-1.4 2,-1.2 -27,-0.2 -1,-0.2 0.848 95.8 73.4 -59.0 -37.9 9.0 1.0 45.7 96 96 A D X - 0 0 14 -4,-1.0 4,-2.4 1,-0.2 5,-0.2 -0.673 60.2-177.0 -87.7 93.3 8.0 -1.5 43.0 97 97 A K H > S+ 0 0 19 49,-1.9 4,-1.1 -2,-1.2 -1,-0.2 0.690 85.6 54.8 -58.0 -25.1 10.0 -0.5 39.9 98 98 A L H > S+ 0 0 16 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.913 112.0 36.9 -80.0 -50.2 8.1 -3.3 38.2 99 99 A R H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.735 115.4 58.9 -75.6 -20.6 4.5 -2.3 38.9 100 100 A S H X S+ 0 0 1 -4,-2.4 4,-2.7 -7,-0.2 5,-0.2 0.902 104.9 48.6 -67.2 -48.7 5.6 1.4 38.5 101 101 A K H X S+ 0 0 5 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.807 112.6 47.8 -62.0 -36.3 6.7 0.7 34.9 102 102 A L H X S+ 0 0 84 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.791 113.7 46.4 -75.7 -38.1 3.5 -1.1 34.0 103 103 A L H X S+ 0 0 61 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.916 113.9 47.6 -71.2 -47.5 1.3 1.6 35.5 104 104 A W H <>S+ 0 0 2 -4,-2.7 5,-3.5 1,-0.2 -2,-0.2 0.863 115.8 45.5 -59.6 -39.9 3.3 4.4 33.8 105 105 A Q H ><5S+ 0 0 102 -4,-1.4 3,-1.4 3,-0.2 -1,-0.2 0.842 106.4 59.4 -74.3 -31.5 3.1 2.5 30.5 106 106 A G H 3<5S+ 0 0 70 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.844 108.8 46.1 -63.6 -32.1 -0.6 1.8 31.1 107 107 A A T 3<5S- 0 0 55 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.259 123.2-106.7 -93.8 9.2 -0.9 5.6 31.1 108 108 A G T < 5 + 0 0 64 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.667 66.7 149.9 74.1 21.0 1.2 6.1 28.0 109 109 A L < - 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