==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JAN-09 3G0X . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DAVIES,T.HEIKKILA,G.A.MCCONKEY,C.W.G.FISHWICK,M.R.PARSONS, . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 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 . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 1 0 3 0 1 2 1 0 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 34 A D > 0 0 135 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 133.6 6.5 -20.3 -4.0 2 35 A E H > + 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.845 360.0 40.9 -51.7 -55.4 3.0 -21.6 -4.6 3 36 A R H > S+ 0 0 166 1,-0.2 4,-3.6 2,-0.2 5,-0.5 0.887 113.1 54.3 -68.0 -40.3 2.6 -21.4 -8.4 4 37 A F H >>S+ 0 0 104 2,-0.2 4,-2.6 3,-0.2 5,-2.0 0.936 117.7 35.7 -56.4 -52.6 6.1 -22.7 -9.1 5 38 A Y H <>S+ 0 0 34 -4,-2.2 5,-2.2 3,-0.2 -2,-0.2 0.963 122.2 45.9 -63.8 -56.4 5.5 -25.9 -7.0 6 39 A A H <5S+ 0 0 25 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.879 128.3 26.4 -50.1 -46.2 1.9 -26.2 -8.0 7 40 A E H <5S+ 0 0 111 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.753 136.9 12.3 -98.9 -28.2 2.6 -25.6 -11.7 8 41 A H T X5S+ 0 0 115 -4,-2.6 4,-1.9 -5,-0.5 5,-0.2 0.795 120.4 41.8-115.2 -63.4 6.2 -26.8 -12.3 9 42 A L H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.896 114.5 48.2 -53.3 -46.9 3.8 -32.2 -11.9 12 45 A T H X S+ 0 0 90 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.961 112.1 47.8 -61.3 -50.6 7.4 -32.8 -13.1 13 46 A L H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.875 112.9 51.2 -52.7 -41.2 8.2 -34.9 -10.0 14 47 A Q H < S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 108.5 49.8 -70.5 -31.9 4.9 -36.8 -10.6 15 48 A G H < S+ 0 0 67 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.844 114.5 47.2 -75.1 -30.7 5.7 -37.5 -14.3 16 49 A L H < S+ 0 0 141 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.882 112.3 37.6 -80.7 -38.5 9.1 -38.9 -13.3 17 50 A L S < S- 0 0 58 -4,-2.0 -1,-0.1 -5,-0.1 5,-0.0 -0.839 76.7-113.0-119.9 148.0 8.4 -41.2 -10.3 18 51 A D > - 0 0 86 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.406 48.0-106.1 -64.6 159.7 5.8 -43.7 -9.2 19 52 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.871 118.9 55.0 -67.2 -30.2 4.0 -42.2 -6.1 20 53 A E H > S+ 0 0 8 79,-0.3 4,-2.6 1,-0.2 5,-0.2 0.942 111.3 44.3 -63.6 -43.3 5.7 -44.5 -3.6 21 54 A S H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 112.3 52.4 -64.7 -40.6 9.1 -43.5 -4.9 22 55 A A H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.904 109.6 50.4 -62.1 -43.0 8.1 -39.8 -4.9 23 56 A H H X S+ 0 0 31 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.953 110.1 48.8 -59.3 -48.6 7.0 -40.2 -1.2 24 57 A R H X S+ 0 0 107 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.907 113.0 47.6 -57.7 -40.1 10.3 -41.9 -0.1 25 58 A L H X S+ 0 0 63 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.894 110.1 52.9 -71.4 -38.6 12.3 -39.1 -1.8 26 59 A A H X S+ 0 0 35 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.878 108.0 50.2 -60.4 -41.9 10.1 -36.5 -0.2 27 60 A V H X S+ 0 0 11 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.959 112.0 49.2 -61.6 -46.2 10.7 -38.0 3.3 28 61 A R H X S+ 0 0 137 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.955 112.5 45.8 -55.8 -52.5 14.5 -38.0 2.6 29 62 A F H <>S+ 0 0 106 -4,-2.7 5,-2.6 1,-0.2 -1,-0.2 0.891 114.8 47.9 -58.3 -44.5 14.5 -34.4 1.4 30 63 A T H ><5S+ 0 0 8 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 0.908 108.2 53.7 -62.5 -44.7 12.4 -33.3 4.3 31 64 A S H 3<5S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.847 108.2 51.1 -67.9 -28.5 14.5 -35.1 6.9 32 65 A L T 3<5S- 0 0 125 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.424 115.7-117.3 -77.9 1.9 17.7 -33.3 5.6 33 66 A G T < 5 + 0 0 20 -3,-1.9 2,-1.2 1,-0.2 -3,-0.2 0.848 59.3 155.7 62.2 32.2 15.9 -30.0 5.9 34 67 A L < + 0 0 92 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.640 40.1 87.4 -90.3 77.5 16.1 -29.3 2.1 35 68 A L 0 0 26 -2,-1.2 41,-0.0 1,-0.2 40,-0.0 -0.950 360.0 360.0-158.8 155.0 13.2 -26.9 1.8 36 69 A P 0 0 121 0, 0.0 -1,-0.2 0, 0.0 40,-0.0 0.997 360.0 360.0 -56.1 360.0 12.8 -23.2 2.2 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 73 A F 0 0 117 0, 0.0 2,-0.4 0, 0.0 298,-0.0 0.000 360.0 360.0 360.0 113.2 5.3 -17.0 7.2 39 74 A Q - 0 0 181 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.835 360.0-114.2 -94.9 130.4 5.4 -15.9 10.9 40 75 A D - 0 0 49 -2,-0.4 2,-0.2 1,-0.1 15,-0.0 -0.509 23.8-136.0 -77.4 126.9 2.5 -17.3 12.9 41 76 A S > - 0 0 29 -2,-0.4 3,-2.4 1,-0.1 4,-0.4 -0.469 20.3-119.4 -65.9 140.7 -0.0 -14.7 14.3 42 77 A D G > S+ 0 0 147 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.748 111.4 74.0 -48.8 -26.1 -1.2 -15.1 17.9 43 78 A M G 3 S+ 0 0 35 1,-0.2 308,-3.0 307,-0.1 309,-0.3 0.752 94.0 53.2 -60.4 -20.1 -4.7 -15.5 16.4 44 79 A L G < S+ 0 0 0 -3,-2.4 -1,-0.2 306,-0.2 -2,-0.2 0.599 83.7 108.7 -94.4 -7.9 -3.6 -19.0 15.3 45 80 A E < - 0 0 83 -3,-1.1 307,-0.4 -4,-0.4 2,-0.3 -0.422 46.8-174.5 -73.2 142.6 -2.5 -20.2 18.7 46 81 A V E -A 53 0A 2 7,-2.2 7,-2.5 9,-0.1 2,-0.6 -0.999 17.5-150.8-137.1 141.3 -4.7 -22.9 20.4 47 82 A R E +A 52 0A 162 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.925 41.9 125.1-110.1 115.4 -4.5 -24.5 23.8 48 83 A V E > +A 51 0A 18 3,-2.5 3,-1.8 -2,-0.6 -2,-0.1 -0.988 51.6 32.9-159.4 165.6 -5.9 -28.0 24.0 49 84 A L T 3 S- 0 0 25 -2,-0.3 167,-0.3 1,-0.3 3,-0.1 0.740 129.9 -57.4 57.7 24.2 -4.9 -31.6 25.1 50 85 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 165,-0.1 -1,-0.3 0.637 121.3 88.4 82.1 15.4 -2.7 -30.2 27.9 51 86 A H E < S-A 48 0A 46 -3,-1.8 -3,-2.5 89,-0.0 2,-0.4 -0.977 73.3-121.2-141.1 161.7 -0.6 -28.2 25.4 52 87 A K E -A 47 0A 78 -2,-0.3 2,-0.5 85,-0.3 -5,-0.2 -0.786 24.1-162.5 -94.9 138.6 -0.2 -25.0 23.5 53 88 A F E -A 46 0A 1 -7,-2.5 -7,-2.2 -2,-0.4 88,-0.2 -0.989 13.2-148.3-121.6 120.7 -0.1 -25.3 19.6 54 89 A R S S+ 0 0 94 86,-3.0 -10,-0.2 -2,-0.5 -1,-0.1 0.802 85.2 3.1 -68.7 -24.6 1.4 -22.3 17.9 55 90 A N S S- 0 0 0 85,-0.4 -10,-0.1 24,-0.1 -1,-0.1 -0.962 74.3-123.8-146.9 167.3 -0.8 -22.8 14.9 56 91 A P S S+ 0 0 0 0, 0.0 262,-3.2 0, 0.0 2,-0.6 0.267 76.1 102.1 -99.5 17.1 -3.6 -25.4 14.4 57 92 A V E +b 318 0B 0 20,-0.2 22,-2.5 260,-0.2 23,-0.7 -0.865 47.0 173.9-105.5 113.8 -2.3 -27.0 11.1 58 93 A G E -bc 319 80B 0 260,-2.9 262,-1.9 -2,-0.6 2,-0.5 -0.683 36.3-108.1-114.6 164.1 -0.6 -30.5 11.5 59 94 A I E -bc 320 81B 0 21,-1.4 23,-1.2 -2,-0.2 262,-0.2 -0.819 41.9-125.5 -89.1 132.4 0.8 -33.1 9.2 60 95 A A > - 0 0 4 260,-2.2 3,-1.1 -2,-0.5 4,-0.4 -0.279 32.2 -86.1 -72.5 153.6 -1.4 -36.2 9.3 61 96 A A T 3 S+ 0 0 13 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.237 106.7 50.1 -54.3 148.1 -0.2 -39.7 10.0 62 97 A G T 3 S+ 0 0 11 22,-2.5 3,-0.4 2,-0.2 -1,-0.2 0.012 89.3 79.6 109.6 -26.5 1.2 -41.7 7.1 63 98 A F S < S+ 0 0 9 -3,-1.1 2,-0.9 1,-0.3 3,-0.2 0.957 108.6 24.7 -76.2 -56.0 3.6 -39.1 5.7 64 99 A D S > S+ 0 0 1 18,-0.4 20,-1.8 -4,-0.4 3,-0.6 -0.748 77.6 165.2-104.9 80.0 6.4 -39.8 8.3 65 100 A K T 3 S+ 0 0 21 -2,-0.9 -1,-0.2 -3,-0.4 20,-0.1 0.804 74.4 35.6 -69.0 -26.1 5.5 -43.4 9.2 66 101 A H T 3 S- 0 0 23 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.190 111.5-106.1-119.5 10.6 8.8 -44.2 11.0 67 102 A G S < S+ 0 0 4 -3,-0.6 3,-0.2 17,-0.1 -2,-0.1 0.831 77.2 129.2 69.6 37.0 9.7 -40.9 12.6 68 103 A E S S+ 0 0 78 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.590 71.2 37.8 -97.5 -11.9 12.6 -39.8 10.3 69 104 A A > + 0 0 1 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.159 68.8 123.4-135.3 24.9 11.5 -36.3 9.3 70 105 A V H > S+ 0 0 3 1,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.889 78.8 45.8 -56.4 -51.5 10.0 -34.6 12.4 71 106 A D H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 111.4 51.3 -67.1 -36.9 12.3 -31.6 12.5 72 107 A G H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 107.6 56.3 -66.8 -29.9 12.1 -30.9 8.8 73 108 A L H <>S+ 0 0 0 -4,-2.2 5,-1.4 2,-0.2 4,-0.4 0.920 106.6 47.4 -68.2 -41.1 8.2 -31.0 9.2 74 109 A Y H ><5S+ 0 0 21 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.907 109.6 55.1 -63.8 -39.5 8.3 -28.3 11.9 75 110 A K H 3<5S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.816 97.4 63.0 -62.6 -28.5 10.5 -26.3 9.6 76 111 A M T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -3,-0.2 257,-0.2 0.650 126.6 -98.9 -70.4 -12.4 7.9 -26.6 6.8 77 112 A G T < 5 + 0 0 16 -3,-1.5 -20,-0.2 -4,-0.4 -3,-0.2 0.450 69.8 151.7 113.0 -2.3 5.5 -24.6 9.1 78 113 A F < - 0 0 1 -5,-1.4 -1,-0.3 1,-0.2 -20,-0.2 -0.452 40.8-146.8 -63.8 134.4 3.3 -27.4 10.7 79 114 A G S S+ 0 0 0 -22,-2.5 -25,-0.4 1,-0.2 2,-0.3 0.598 83.3 6.9 -75.1 -16.0 2.1 -26.4 14.3 80 115 A F E -c 58 0B 0 -23,-0.7 -21,-1.4 61,-0.2 2,-0.4 -0.971 69.8-140.5-162.8 154.0 2.3 -30.1 15.3 81 116 A V E -cd 59 143B 0 61,-2.0 63,-3.1 -2,-0.3 2,-0.5 -0.978 8.3-166.1-122.3 134.9 3.6 -33.4 13.8 82 117 A E E - d 0 144B 0 -23,-1.2 -18,-0.4 -2,-0.4 -19,-0.2 -0.976 11.3-166.5-115.1 130.3 2.0 -36.9 14.0 83 118 A I E - d 0 145B 0 61,-2.4 63,-2.9 -2,-0.5 -18,-0.2 -0.670 31.2 -6.2-110.1 168.2 4.1 -39.9 13.1 84 119 A G E - 0 0 0 -20,-1.8 -22,-2.5 1,-0.3 2,-0.2 -0.642 34.8-132.9 110.2-174.0 3.1 -43.4 12.4 85 120 A S E - 0 0 6 61,-0.5 2,-0.4 -24,-0.2 -1,-0.3 0.417 53.3-175.0 -76.9 143.7 1.2 -45.6 12.3 86 121 A V E - d 0 147B 1 60,-2.0 62,-2.8 -3,-0.2 30,-0.1 -0.953 10.2-154.3-108.9 132.9 3.8 -47.7 14.1 87 122 A T - 0 0 0 -2,-0.4 32,-0.8 60,-0.2 62,-0.2 -0.628 28.0-112.5-102.4 160.0 3.3 -51.5 14.7 88 123 A P S S+ 0 0 8 0, 0.0 31,-1.4 0, 0.0 32,-0.5 0.972 102.5 31.9 -61.6 -52.9 5.0 -53.5 17.6 89 124 A K S S- 0 0 127 29,-0.2 29,-0.3 30,-0.1 -2,-0.2 -0.713 99.4 -96.9 -97.6 155.9 7.1 -55.6 15.3 90 125 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.308 48.7 174.6 -59.5 146.0 8.6 -54.5 11.9 91 126 A Q B -J 116 0C 35 25,-2.3 25,-2.1 1,-0.1 27,-0.1 -0.978 35.9-130.2-154.5 154.8 6.5 -55.6 9.0 92 127 A E - 0 0 174 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 0.733 36.9-145.4 -78.4 -25.9 6.6 -55.1 5.2 93 128 A G - 0 0 27 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.416 48.2 -20.4 88.8-172.5 3.0 -54.0 4.5 94 129 A N S S- 0 0 41 18,-3.3 17,-0.1 17,-0.3 4,-0.0 -0.310 75.1 -91.3 -69.2 158.3 1.1 -55.0 1.2 95 130 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.272 66.0 -66.3 -56.2 147.3 2.7 -56.0 -2.1 96 131 A R S S+ 0 0 134 2,-0.1 2,-0.1 0, 0.0 16,-0.0 -0.265 107.0 52.9 -76.2 166.0 3.4 -53.2 -4.6 97 132 A P + 0 0 84 0, 0.0 3,-0.1 0, 0.0 -79,-0.0 0.804 67.9 147.7 -65.2 149.3 2.0 -51.2 -6.3 98 133 A R + 0 0 16 1,-0.2 13,-3.2 -2,-0.1 2,-0.3 0.328 50.2 57.3-139.3 17.1 0.1 -49.9 -3.3 99 134 A V E -K 110 0D 19 11,-0.2 2,-0.4 12,-0.1 -79,-0.3 -0.985 58.8-173.2-147.7 141.8 -0.5 -46.2 -3.8 100 135 A F E -K 109 0D 17 9,-2.6 9,-2.6 -2,-0.3 2,-0.3 -0.996 16.4-137.8-143.2 134.1 -2.3 -44.5 -6.8 101 136 A R E -K 108 0D 43 -2,-0.4 161,-0.3 7,-0.2 7,-0.2 -0.779 8.4-167.9 -96.6 145.0 -2.7 -40.8 -7.7 102 137 A L E >>> +K 107 0D 0 5,-3.0 5,-1.9 -2,-0.3 3,-1.9 -0.756 14.4 172.7-126.6 72.8 -6.1 -39.5 -9.0 103 138 A P G >45S+ 0 0 68 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.863 74.0 58.6 -60.1 -32.2 -4.9 -36.1 -10.2 104 139 A E G 345S+ 0 0 128 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.721 117.0 36.2 -70.4 -15.6 -8.3 -35.2 -11.9 105 140 A D G <45S- 0 0 21 -3,-1.9 -1,-0.3 2,-0.2 167,-0.2 0.410 105.2-125.3-107.4 3.2 -9.9 -35.6 -8.5 106 141 A Q T <<5S+ 0 0 61 -3,-1.0 166,-2.1 -4,-0.7 2,-0.3 0.909 73.4 123.5 44.2 54.1 -7.0 -34.2 -6.4 107 142 A A E < -KL 102 271D 0 -5,-1.9 -5,-3.0 164,-0.2 2,-0.3 -0.874 50.8-152.9-135.1 165.9 -7.2 -37.6 -4.5 108 143 A V E -KL 101 270D 16 162,-0.9 162,-2.7 -2,-0.3 2,-0.4 -0.959 4.4-156.1-135.7 147.5 -5.0 -40.6 -3.6 109 144 A I E +KL 100 269D 0 -9,-2.6 -9,-2.6 -2,-0.3 2,-0.4 -0.998 20.4 178.4-120.6 132.7 -5.9 -44.2 -3.0 110 145 A N E +KL 99 268D 33 158,-2.1 158,-2.5 -2,-0.4 -11,-0.2 -0.986 28.1 176.3-129.7 150.8 -3.5 -46.2 -0.8 111 146 A R + 0 0 52 -13,-3.2 -17,-0.3 -2,-0.4 -12,-0.1 -0.290 28.3 146.9-139.2 54.8 -3.4 -49.8 0.5 112 147 A Y - 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0 0 96 -3,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.717 59.9 -69.7 61.5 33.5 -21.5 -31.9 23.5 291 326 A G T 3 S- 0 0 20 1,-0.1 4,-2.3 32,-0.1 5,-0.2 -0.953 83.2 -98.5-153.9 172.3 -7.0 -24.2 1.9 304 339 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 30,-0.3 5,-0.2 0.867 121.3 52.8 -64.7 -43.6 -7.9 -21.8 4.6 305 340 A Q H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 107.0 52.1 -62.2 -38.9 -11.6 -22.2 3.9 306 341 A D H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.930 111.8 46.8 -61.5 -42.3 -11.3 -26.0 4.2 307 342 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.945 112.8 49.4 -62.4 -46.0 -9.6 -25.6 7.6 308 343 A L H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.3 5,-0.3 0.890 105.2 57.1 -69.7 -31.7 -12.1 -23.1 8.9 309 344 A E H X S+ 0 0 67 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.3 0.915 110.7 43.2 -60.6 -44.6 -15.0 -25.2 7.8 310 345 A K H X>S+ 0 0 0 -4,-1.6 5,-2.5 -5,-0.2 4,-0.7 0.873 112.8 55.2 -66.0 -35.4 -13.7 -28.1 9.9 311 346 A I H ><5S+ 0 0 0 -4,-2.4 45,-2.4 3,-0.2 3,-1.7 0.978 110.0 43.7 -58.6 -60.0 -13.0 -25.6 12.7 312 347 A R H 3<5S+ 0 0 33 -4,-3.0 46,-1.8 1,-0.3 47,-0.5 0.769 107.7 60.1 -58.4 -27.3 -16.5 -24.3 12.8 313 348 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.3 -27,-0.2 0.663 136.3 -80.2 -76.1 -13.6 -18.0 -27.8 12.6 314 349 A G T <<5S+ 0 0 1 -3,-1.7 -19,-0.5 -4,-0.7 2,-0.4 0.423 83.8 135.9 134.9 1.1 -16.1 -28.6 15.9 315 350 A A < - 0 0 0 -5,-2.5 -1,-0.3 1,-0.2 41,-0.2 -0.643 32.6-167.4 -78.5 136.5 -12.4 -29.3 15.2 316 351 A S S S+ 0 0 15 -21,-1.9 2,-0.3 -2,-0.4 -20,-0.2 0.719 80.4 12.2 -85.3 -25.3 -9.9 -27.6 17.6 317 352 A L E S- i 0 296B 1 -22,-1.2 -20,-3.2 -7,-0.1 2,-0.3 -0.968 72.3-149.9-141.2 162.1 -7.0 -28.5 15.3 318 353 A V E -bi 57 297B 1 -262,-3.2 -260,-2.9 -2,-0.3 2,-0.3 -0.904 5.1-162.0-132.3 164.1 -6.7 -29.8 11.7 319 354 A Q E -bi 58 298B 0 -22,-2.1 -20,-0.7 -2,-0.3 -18,-0.3 -0.936 3.3-168.7-136.5 159.6 -4.3 -31.9 9.7 320 355 A L E +b 59 0B 4 -262,-1.9 -260,-2.2 -2,-0.3 -18,-0.1 -0.983 21.1 153.3-143.1 157.9 -3.5 -32.6 6.0 321 356 A Y S >> S+ 0 0 53 -2,-0.3 3,-1.9 -262,-0.2 4,-1.0 0.270 72.7 55.9-138.1 -61.2 -1.5 -35.0 3.9 322 357 A T H >> S+ 0 0 16 1,-0.3 4,-1.0 2,-0.2 3,-0.6 0.824 101.6 58.7 -55.9 -34.5 -2.9 -35.4 0.4 323 358 A A H 3> S+ 0 0 11 -22,-0.4 4,-3.3 1,-0.3 5,-0.4 0.820 100.4 58.7 -66.8 -30.4 -2.7 -31.7 -0.5 324 359 A L H <> S+ 0 0 12 -3,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.874 100.0 56.8 -63.3 -37.8 1.0 -31.7 0.2 325 360 A T H << S+ 0 0 39 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.790 118.1 33.0 -68.4 -22.5 1.4 -34.4 -2.4 326 361 A F H < S+ 0 0 15 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.828 133.2 24.9 -97.2 -37.2 -0.2 -32.2 -5.0 327 362 A W H < S- 0 0 83 -4,-3.3 -3,-0.2 -5,-0.2 -321,-0.2 0.625 94.1-147.6-102.7 -16.7 0.9 -28.6 -4.0 328 363 A G >< - 0 0 1 -4,-1.9 3,-2.4 -5,-0.4 4,-0.3 -0.092 51.8 -29.5 71.9-171.7 4.1 -29.3 -2.1 329 364 A P T >> S+ 0 0 29 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.721 124.0 69.5 -51.3 -35.1 5.4 -27.4 1.0 330 365 A P H 3> S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 -328,-0.1 0.741 82.7 75.5 -64.3 -14.4 3.9 -24.0 0.1 331 366 A V H <> S+ 0 0 3 -3,-2.4 4,-2.9 1,-0.2 5,-0.3 0.824 87.4 62.1 -60.8 -29.3 0.5 -25.3 0.9 332 367 A V H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.977 108.6 37.5 -65.7 -50.1 1.2 -25.1 4.6 333 368 A G H X S+ 0 0 17 -4,-0.7 4,-3.2 1,-0.2 5,-0.3 0.875 114.7 58.1 -69.5 -32.7 1.7 -21.4 4.7 334 369 A K H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.949 106.8 46.5 -56.0 -48.7 -1.1 -20.9 2.2 335 370 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.940 116.5 46.3 -60.5 -45.4 -3.6 -22.7 4.5 336 371 A K H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.914 112.9 46.4 -67.0 -47.0 -2.4 -20.6 7.5 337 372 A R H X S+ 0 0 115 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.922 116.2 46.1 -65.8 -38.8 -2.4 -17.2 5.8 338 373 A E H X S+ 0 0 61 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.901 111.4 52.4 -70.1 -33.7 -5.9 -17.9 4.3 339 374 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.926 109.7 47.9 -67.0 -45.9 -7.2 -19.1 7.6 340 375 A E H X S+ 0 0 36 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.909 110.6 51.4 -59.0 -44.0 -6.0 -16.1 9.5 341 376 A A H X S+ 0 0 56 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.914 112.2 47.7 -60.7 -41.1 -7.6 -13.7 6.8 342 377 A L H X S+ 0 0 31 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.845 107.3 54.2 -68.7 -38.9 -11.0 -15.6 7.1 343 378 A L H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.5 0.937 113.3 44.5 -56.9 -46.3 -11.0 -15.5 10.9 344 379 A K H ><5S+ 0 0 123 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.976 113.3 50.0 -63.8 -50.6 -10.5 -11.7 10.6 345 380 A E H 3<5S+ 0 0 151 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 113.0 46.5 -56.2 -34.2 -13.1 -11.4 7.9 346 381 A Q T 3<5S- 0 0 85 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.417 116.8-109.8 -93.7 -1.3 -15.7 -13.4 9.8 347 382 A G T < 5 + 0 0 69 -3,-1.8 2,-0.4 -4,-0.5 -3,-0.2 0.680 65.3 145.0 85.0 22.4 -15.2 -11.5 13.1 348 383 A F < - 0 0 34 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.741 48.0-142.4 -88.6 140.2 -13.4 -14.1 15.2 349 384 A G S S- 0 0 55 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.801 76.9 -36.1 -67.9 -30.3 -10.7 -13.1 17.7 350 385 A G S >> S- 0 0 8 -7,-0.1 4,-0.8 1,-0.1 3,-0.8 -0.955 78.1 -68.7-173.7-179.0 -8.7 -16.2 16.9 351 386 A V H >> S+ 0 0 0 -308,-3.0 3,-1.3 -2,-0.3 4,-1.0 0.865 123.0 63.6 -50.2 -44.9 -9.0 -19.8 16.1 352 387 A T H >4 S+ 0 0 81 -307,-0.4 3,-0.5 -309,-0.3 -1,-0.2 0.875 99.1 50.9 -58.9 -35.3 -10.3 -20.6 19.6 353 388 A D H <4 S+ 0 0 86 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.730 108.0 54.2 -72.4 -21.1 -13.4 -18.5 19.2 354 389 A A H X< S+ 0 0 0 -3,-1.3 3,-2.4 -4,-0.8 4,-0.3 0.620 77.0 117.0 -82.5 -21.1 -14.3 -20.2 15.9 355 390 A I T << S- 0 0 24 -4,-1.0 -43,-0.2 -3,-0.5 -39,-0.1 -0.332 96.9 -8.3 -55.0 116.9 -14.2 -23.8 17.3 356 391 A G T > S+ 0 0 0 -45,-2.4 3,-2.1 -41,-0.2 4,-0.5 0.559 90.6 141.7 74.6 8.6 -17.7 -25.3 17.0 357 392 A A G X + 0 0 9 -3,-2.4 3,-1.3 1,-0.3 4,-0.4 0.798 62.4 63.4 -59.1 -25.7 -19.2 -21.9 16.0 358 393 A D G > S+ 0 0 41 -46,-1.8 3,-0.6 -4,-0.3 -1,-0.3 0.764 98.1 57.7 -66.7 -24.8 -21.6 -23.5 13.4 359 394 A H G < S+ 0 0 64 -3,-2.1 -1,-0.3 -47,-0.5 -2,-0.2 0.607 101.3 56.9 -80.7 -12.7 -23.3 -25.2 16.4 360 395 A R G < 0 0 144 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.403 360.0 360.0-100.8 -2.7 -24.0 -21.8 18.1 361 396 A R < 0 0 233 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.610 360.0 360.0 -87.9 360.0 -26.0 -20.3 15.1