==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-12 4EU4 . COMPND 2 MOLECULE: SUCCINYL-COA:ACETATE COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.A.MULLINS,T.J.KAPPOCK . 1008 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 702 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 2 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 . 67 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 2 4 2 8 2 6 0 4 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 10 4 2 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 . 10 8 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 . 4 2 4 0 0 0 2 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 T 0 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 -16.8 -78.4 39.5 2 3 A E - 0 0 72 1,-0.1 3,-0.0 2,-0.1 135,-0.0 -0.478 360.0-162.6 -74.3 128.9 -19.3 -78.7 36.6 3 4 A R S S+ 0 0 27 -2,-0.3 135,-2.1 1,-0.2 2,-1.2 0.836 76.8 67.2 -82.1 -35.1 -20.1 -75.4 34.8 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.1 -0.720 58.1 170.5 -89.1 94.7 -23.3 -76.5 33.0 5 6 A R + 0 0 87 133,-2.5 2,-0.6 -2,-1.2 134,-0.2 0.556 52.2 90.4 -87.8 -9.0 -25.7 -77.0 35.9 6 7 A N S > S- 0 0 34 132,-0.3 4,-0.6 1,-0.2 134,-0.1 -0.817 70.6-152.0 -83.8 120.8 -28.8 -77.3 33.8 7 8 A V T >4 S+ 0 0 102 -2,-0.6 3,-1.2 133,-0.2 4,-0.3 0.933 86.3 48.3 -63.8 -48.0 -29.0 -81.0 33.2 8 9 A A G >4 S+ 0 0 68 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.865 102.8 60.1 -64.7 -41.1 -30.8 -81.0 29.8 9 10 A L G >4 S+ 0 0 9 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.678 86.6 76.2 -63.9 -15.7 -28.6 -78.4 28.1 10 11 A R G X< S+ 0 0 95 -3,-1.2 3,-1.5 -4,-0.6 -1,-0.3 0.809 83.0 70.0 -62.8 -23.1 -25.6 -80.6 28.6 11 12 A S G < S+ 0 0 100 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.496 90.8 61.6 -70.9 -2.5 -27.1 -82.6 25.7 12 13 A K G < S+ 0 0 65 -3,-2.1 207,-1.7 -4,-0.1 -1,-0.3 0.341 71.3 122.9-110.4 6.2 -26.2 -79.7 23.5 13 14 A V B < +d 219 0B 52 -3,-1.5 207,-0.2 205,-0.2 -3,-0.0 -0.493 29.9 154.5 -70.1 130.6 -22.5 -79.7 23.8 14 15 A C - 0 0 37 205,-1.9 207,-0.4 -2,-0.2 2,-0.1 -0.879 45.1 -78.0-142.7 178.5 -20.5 -80.0 20.6 15 16 A P > - 0 0 80 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.454 40.3-110.9 -82.6 159.7 -17.0 -79.1 19.4 16 17 A A H > S+ 0 0 19 1,-0.2 4,-2.8 205,-0.2 5,-0.2 0.899 116.7 53.1 -51.3 -46.6 -16.0 -75.6 18.3 17 18 A E H > S+ 0 0 90 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.879 108.6 48.1 -60.6 -40.6 -15.7 -76.6 14.7 18 19 A T H 4 S+ 0 0 66 -3,-0.4 -1,-0.2 1,-0.2 3,-0.2 0.859 111.8 50.6 -71.4 -33.8 -19.2 -78.1 14.5 19 20 A A H >< S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.2 4,-0.4 0.922 102.4 61.1 -65.8 -45.4 -20.7 -75.0 16.1 20 21 A S H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.783 92.0 67.0 -52.2 -30.4 -18.9 -72.8 13.6 21 22 A E T 3< S+ 0 0 88 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.595 86.6 70.4 -70.5 -8.8 -20.8 -74.5 10.8 22 23 A L T < S+ 0 0 47 -3,-2.6 2,-0.7 -4,-0.1 -1,-0.3 0.771 82.7 81.2 -75.7 -26.5 -24.0 -73.0 12.2 23 24 A I S < S- 0 0 2 -3,-1.3 2,-0.1 -4,-0.4 3,-0.1 -0.732 70.7-163.3 -86.1 112.2 -22.8 -69.5 11.0 24 25 A K > - 0 0 128 -2,-0.7 3,-1.4 1,-0.1 2,-0.2 -0.395 31.8 -78.6 -92.1 168.4 -23.6 -69.1 7.3 25 26 A H T 3 S+ 0 0 87 1,-0.2 38,-0.2 35,-0.2 -1,-0.1 -0.503 117.3 19.9 -67.6 134.9 -22.2 -66.6 4.8 26 27 A G T 3 S+ 0 0 30 36,-4.1 -1,-0.2 1,-0.3 37,-0.2 0.517 89.6 149.2 83.5 8.4 -23.8 -63.1 5.1 27 28 A D < - 0 0 20 -3,-1.4 37,-2.8 35,-0.4 2,-0.6 -0.474 48.3-131.9 -73.0 141.9 -25.0 -63.8 8.7 28 29 A V E -e 64 0B 11 99,-0.4 101,-2.7 35,-0.2 102,-1.7 -0.893 30.2-165.4 -90.7 121.2 -25.3 -61.0 11.1 29 30 A V E -ef 65 130B 2 35,-3.4 37,-2.3 -2,-0.6 2,-0.5 -0.935 12.1-163.0-120.5 112.7 -23.6 -62.2 14.2 30 31 A G E -ef 66 131B 0 100,-2.6 102,-2.8 -2,-0.5 2,-0.3 -0.787 20.6-180.0 -89.6 131.1 -23.9 -60.5 17.7 31 32 A T E - f 0 132B 1 35,-2.6 121,-0.3 -2,-0.5 102,-0.2 -0.896 30.3-112.4-129.4 159.9 -21.3 -61.5 20.2 32 33 A S + 0 0 2 100,-1.6 7,-0.1 -2,-0.3 6,-0.1 -0.278 59.5 114.6 -70.7 173.9 -20.2 -60.9 23.8 33 34 A G + 0 0 0 6,-0.2 36,-2.2 5,-0.2 35,-1.2 0.029 27.1 175.0 122.5 129.7 -16.9 -59.0 24.2 34 35 A F B > S-K 37 0C 0 3,-1.4 3,-0.9 34,-0.2 37,-0.1 -0.837 72.1 -11.3-168.0 119.1 -15.9 -55.6 25.6 35 36 A T T 3 S- 0 0 17 -2,-0.3 36,-0.2 1,-0.2 3,-0.1 0.884 127.9 -54.3 47.4 46.9 -12.5 -54.1 26.2 36 37 A G T 3 S+ 0 0 2 34,-1.6 191,-0.7 1,-0.2 2,-0.4 0.755 113.7 120.0 65.6 25.6 -10.8 -57.4 25.5 37 38 A A B < S-K 34 0C 4 -3,-0.9 -3,-1.4 33,-0.5 -1,-0.2 -0.989 72.6 -7.4-126.3 128.7 -13.0 -59.2 28.2 38 39 A G S S+ 0 0 1 -2,-0.4 96,-0.6 1,-0.2 109,-0.2 0.736 79.5 147.4 70.7 31.8 -15.4 -62.0 27.8 39 40 A Y - 0 0 0 -7,-0.1 -1,-0.2 94,-0.1 -6,-0.2 -0.667 58.3 -92.6 -93.4 152.9 -15.5 -62.4 24.0 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.0 -0.411 47.3 173.4 -60.6 139.7 -16.1 -65.9 22.3 41 42 A K > + 0 0 0 3,-0.1 4,-1.4 -2,-0.1 184,-0.0 0.767 61.6 43.0-120.4 -47.3 -12.7 -67.4 21.5 42 43 A E H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.951 110.9 49.6 -75.0 -52.3 -12.9 -71.0 20.1 43 44 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 109.9 53.6 -52.6 -46.1 -15.8 -70.8 17.7 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.931 108.1 48.7 -56.6 -48.5 -14.3 -67.7 16.0 45 46 A K H X S+ 0 0 69 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.952 113.5 48.0 -53.8 -51.1 -10.9 -69.4 15.4 46 47 A A H X S+ 0 0 17 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.876 110.9 50.9 -54.5 -42.2 -12.8 -72.4 13.9 47 48 A L H X S+ 0 0 3 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.872 106.2 56.0 -66.7 -36.9 -14.8 -70.1 11.8 48 49 A A H >X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 3,-1.1 0.982 105.7 49.7 -57.4 -62.8 -11.7 -68.3 10.5 49 50 A Q H 3X S+ 0 0 123 -4,-2.0 4,-3.0 1,-0.3 -2,-0.2 0.901 111.9 48.3 -36.3 -59.3 -10.1 -71.6 9.2 50 51 A R H 3X S+ 0 0 64 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.776 111.4 51.3 -61.2 -27.8 -13.3 -72.5 7.4 51 52 A M H S+ 0 0 8 -4,-2.3 5,-2.7 1,-0.2 -1,-0.2 0.780 112.1 53.7 -63.0 -25.0 -13.9 -71.5 1.4 55 56 A H H ><5S+ 0 0 55 -4,-2.0 3,-3.2 1,-0.2 -1,-0.2 0.973 102.0 55.0 -72.7 -54.7 -12.0 -68.5 0.1 56 57 A D H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.629 108.7 51.9 -48.5 -17.7 -9.2 -70.5 -1.4 57 58 A R T 3<5S- 0 0 158 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.150 121.2-109.1-107.0 13.7 -11.9 -72.4 -3.3 58 59 A G T < 5S+ 0 0 74 -3,-3.2 2,-0.4 1,-0.2 -3,-0.2 0.734 74.2 129.9 66.2 28.5 -13.5 -69.2 -4.7 59 60 A E < - 0 0 92 -5,-2.7 -1,-0.2 -4,-0.0 2,-0.2 -0.905 61.1-108.5-113.7 147.2 -16.7 -69.2 -2.6 60 61 A K + 0 0 175 -2,-0.4 2,-0.2 -35,-0.0 -35,-0.2 -0.483 40.1 165.6 -72.2 132.6 -18.0 -66.2 -0.6 61 62 A Y + 0 0 16 -2,-0.2 2,-0.3 22,-0.2 -6,-0.1 -0.665 18.2 130.5-150.1 94.2 -17.8 -66.5 3.2 62 63 A Q - 0 0 49 -2,-0.2 -36,-4.1 23,-0.1 -35,-0.4 -0.995 30.3-158.3-143.1 150.1 -18.2 -63.3 5.3 63 64 A I E - g 0 85B 2 21,-2.9 23,-1.8 -2,-0.3 24,-0.9 -0.872 24.9-118.2-121.9 157.3 -20.3 -62.2 8.3 64 65 A S E -eg 28 87B 4 -37,-2.8 -35,-3.4 -2,-0.3 2,-0.6 -0.851 35.7-154.6 -83.8 124.6 -21.5 -58.9 9.8 65 66 A L E +eg 29 88B 1 22,-3.1 24,-1.5 -2,-0.5 2,-0.5 -0.893 16.8 177.8-115.1 104.6 -19.9 -58.8 13.3 66 67 A I E +eg 30 89B 0 -37,-2.3 -35,-2.6 -2,-0.6 2,-0.1 -0.907 12.3 171.1-104.3 121.2 -21.6 -56.7 16.0 67 68 A T - 0 0 0 22,-2.5 -34,-0.1 -2,-0.5 -35,-0.1 -0.262 46.3-110.2-109.1-164.4 -20.0 -56.7 19.4 68 69 A G S S- 0 0 0 -35,-1.2 -34,-0.2 1,-0.3 -1,-0.2 0.840 88.9 -53.9 -86.9 -65.7 -20.3 -55.0 22.8 69 70 A A S S- 0 0 0 -36,-2.2 22,-0.3 1,-0.3 -1,-0.3 -0.371 101.9 -7.5-137.8-129.5 -17.1 -53.1 22.2 70 71 A S - 0 0 2 -2,-0.1 -34,-1.6 22,-0.1 -33,-0.5 -0.449 59.0-173.2 -75.0 144.2 -13.5 -54.2 21.4 71 72 A T - 0 0 1 -36,-0.2 -1,-0.1 -35,-0.2 -35,-0.1 0.354 21.1-104.8-102.9-122.4 -12.8 -57.9 21.4 72 73 A G >>> - 0 0 2 -36,-0.1 3,-1.5 -37,-0.1 5,-1.5 -0.934 38.4 -70.0-161.7 179.9 -9.5 -59.6 21.1 73 74 A P T 34>S+ 0 0 66 0, 0.0 5,-2.4 0, 0.0 6,-0.1 0.843 120.5 59.3 -51.8 -44.4 -7.1 -61.6 18.8 74 75 A Q T 345S+ 0 0 23 3,-0.2 5,-0.1 4,-0.1 152,-0.0 0.706 124.9 17.1 -60.8 -21.5 -9.1 -64.8 18.8 75 76 A L T <>5S+ 0 0 3 -3,-1.5 4,-2.3 3,-0.1 5,-0.3 0.754 136.3 27.2-115.4 -73.7 -12.1 -63.0 17.4 76 77 A D H X5S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 5,-0.1 0.915 127.7 48.7 -60.1 -42.7 -11.4 -59.6 15.8 77 78 A G H >S+ 0 0 3 -4,-2.3 5,-3.3 1,-0.2 6,-0.4 0.777 113.1 49.7 -58.9 -24.3 -11.7 -63.2 11.5 80 81 A A H ><5S+ 0 0 2 -4,-1.1 3,-2.7 -3,-0.4 -2,-0.2 0.936 105.5 52.3 -80.5 -50.6 -9.7 -60.3 10.1 81 82 A K H 3<5S+ 0 0 125 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 112.1 50.2 -48.5 -34.4 -6.7 -62.2 8.9 82 83 A A T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.288 111.8-123.9 -91.4 10.6 -9.2 -64.5 7.1 83 84 A N T < 5 + 0 0 55 -3,-2.7 -3,-0.2 -5,-0.1 -22,-0.2 0.886 65.4 141.6 45.9 50.1 -10.9 -61.5 5.5 84 85 A G < + 0 0 0 -5,-3.3 -21,-2.9 -6,-0.1 2,-0.6 0.523 37.2 77.8-103.0 -10.3 -14.1 -62.7 7.1 85 86 A V E +g 63 0B 1 -6,-0.4 -21,-0.2 -23,-0.2 3,-0.1 -0.901 39.4 173.9-109.0 119.9 -16.0 -59.6 8.2 86 87 A Y E S+ 0 0 80 -23,-1.8 21,-2.7 -2,-0.6 2,-0.3 0.754 79.1 22.5 -89.1 -25.5 -17.8 -57.4 5.7 87 88 A F E -gh 64 107B 17 -24,-0.9 -22,-3.1 19,-0.2 2,-0.3 -0.989 68.6-173.5-143.3 132.4 -19.3 -55.1 8.3 88 89 A R E -gh 65 108B 0 19,-2.7 21,-1.1 -2,-0.3 -22,-0.2 -0.899 13.2-140.1-126.2 152.7 -18.2 -54.4 11.9 89 90 A S E -g 66 0B 0 -24,-1.5 -22,-2.5 -2,-0.3 21,-0.1 -0.869 46.2 -20.6-174.9 144.5 -19.6 -52.4 14.8 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.975 105.0 -2.2-116.5 6.9 -19.4 -50.6 17.0 91 92 A F + 0 0 33 -22,-0.3 2,-0.3 19,-0.1 293,-0.2 -0.851 51.2 177.3-165.7 120.3 -15.8 -50.4 18.3 92 93 A N + 0 0 2 291,-1.3 -22,-0.1 -2,-0.3 18,-0.0 -0.927 19.1 173.8-128.7 148.0 -12.5 -52.2 17.5 93 94 A T + 0 0 39 -2,-0.3 2,-0.4 -24,-0.1 -1,-0.1 0.225 45.4 122.4-130.4 11.0 -8.9 -52.0 18.7 94 95 A D > - 0 0 27 1,-0.1 4,-2.8 289,-0.1 5,-0.1 -0.639 56.8-143.9 -81.7 127.8 -7.5 -55.0 16.8 95 96 A A H > S+ 0 0 54 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.911 99.4 45.2 -54.6 -49.1 -4.6 -54.0 14.5 96 97 A T H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 114.8 47.1 -65.2 -44.3 -5.5 -56.4 11.8 97 98 A M H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 109.7 56.2 -65.8 -32.1 -9.2 -55.5 11.8 98 99 A R H >X S+ 0 0 50 -4,-2.8 4,-2.9 2,-0.2 3,-0.8 0.983 105.8 48.9 -61.8 -56.5 -8.2 -51.8 11.9 99 100 A N H 3X S+ 0 0 104 -4,-2.4 4,-1.4 1,-0.3 6,-0.3 0.871 109.9 53.5 -48.2 -43.9 -6.1 -52.2 8.6 100 101 A R H 3<>S+ 0 0 46 -4,-1.9 6,-1.7 2,-0.2 5,-1.6 0.866 111.4 45.5 -58.6 -39.6 -9.1 -53.9 7.1 101 102 A I H X<5S+ 0 0 3 -4,-1.8 3,-1.2 -3,-0.8 -2,-0.2 0.910 113.6 48.3 -71.3 -44.2 -11.4 -51.0 8.0 102 103 A N H 3<5S+ 0 0 20 -4,-2.9 882,-1.3 1,-0.3 -1,-0.2 0.665 108.2 55.5 -72.4 -17.7 -8.9 -48.4 6.8 103 104 A A T 3<5S- 0 0 47 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.430 114.9-114.7 -92.1 -1.9 -8.4 -50.3 3.5 104 105 A G T < 5S+ 0 0 38 -3,-1.2 -3,-0.2 2,-0.3 -2,-0.1 0.471 87.7 116.3 82.4 3.2 -12.2 -50.2 2.8 105 106 A E S > - 0 0 0 1,-0.1 3,-2.9 273,-0.1 4,-0.7 -0.505 42.0-129.6 -59.9 125.7 -22.2 -44.6 20.7 113 114 A L G >4 S+ 0 0 4 273,-2.3 3,-1.1 1,-0.3 4,-0.5 0.880 107.0 56.7 -49.0 -44.0 -21.7 -47.7 22.9 114 115 A G G 34 S+ 0 0 4 272,-0.2 -1,-0.3 1,-0.2 4,-0.3 0.638 110.1 45.1 -60.9 -15.1 -24.7 -46.8 24.9 115 116 A Q G <> S+ 0 0 20 -3,-2.9 4,-2.2 2,-0.1 -1,-0.2 0.498 83.8 91.5-109.3 -4.4 -27.0 -46.8 21.9 116 117 A V H S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.910 110.8 48.4 -56.5 -48.5 -28.5 -52.2 21.7 118 119 A G H > S+ 0 0 4 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.886 112.6 48.2 -62.2 -40.5 -31.4 -49.9 20.9 119 120 A R H X>S+ 0 0 25 -4,-2.2 5,-1.9 2,-0.2 4,-1.2 0.908 110.2 52.1 -69.1 -40.8 -30.3 -49.6 17.3 120 121 A A H ><5S+ 0 0 3 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.953 111.1 46.9 -53.9 -50.7 -29.9 -53.4 17.0 121 122 A V H 3<5S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.835 108.3 57.6 -64.0 -29.1 -33.4 -53.8 18.3 122 123 A Q H 3<5S- 0 0 25 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.743 118.0-113.6 -73.8 -24.5 -34.6 -51.2 15.9 123 124 A G T X<5S+ 0 0 39 -4,-1.2 3,-1.9 -3,-1.0 -3,-0.2 0.423 74.4 133.5 107.2 3.0 -33.2 -53.2 13.0 124 125 A N T 3 - 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