==== 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 OXIDOREDUCTASE 28-OCT-08 3F1Q . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.HEIKKILA,M.DAVIES,G.A.MCCONKEY,C.W.G.FISHWICK,M.R.PARSONS, . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.2 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 . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.0 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 1 0 2 1 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 33 A G 0 0 99 0, 0.0 2,-0.5 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 104.3 9.0 -20.6 -1.6 2 34 A D > - 0 0 77 1,-0.1 4,-1.9 2,-0.0 5,-0.2 -0.961 360.0-153.8-120.3 125.2 6.5 -19.8 -4.4 3 35 A E H > S+ 0 0 63 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.927 96.1 49.1 -59.2 -51.0 3.0 -21.4 -4.6 4 36 A R H > S+ 0 0 179 1,-0.2 4,-3.2 2,-0.2 5,-0.5 0.924 109.0 52.2 -56.5 -50.1 2.6 -21.1 -8.4 5 37 A F H >>S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-2.2 0.911 115.6 40.3 -54.9 -49.6 6.1 -22.6 -9.1 6 38 A Y H <>S+ 0 0 36 -4,-1.9 5,-2.3 3,-0.2 -1,-0.2 0.941 120.0 44.5 -64.4 -48.3 5.4 -25.7 -7.0 7 39 A A H <5S+ 0 0 28 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.834 126.4 29.1 -66.2 -36.9 1.8 -26.1 -8.1 8 40 A E H <5S+ 0 0 117 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.746 136.6 9.3 -98.2 -28.0 2.4 -25.5 -11.8 9 41 A H T X5S+ 0 0 108 -4,-2.2 4,-1.6 -5,-0.5 -3,-0.2 0.783 120.4 44.0-122.4 -58.4 6.0 -26.8 -12.4 10 42 A L H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 113.9 48.6 -58.7 -35.5 3.7 -31.9 -11.9 13 45 A T H X S+ 0 0 84 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.905 112.1 48.3 -68.9 -42.5 7.2 -32.6 -13.1 14 46 A L H >X S+ 0 0 43 -4,-2.5 4,-2.0 1,-0.2 3,-1.0 0.924 111.0 50.6 -58.8 -47.4 7.9 -34.8 -10.0 15 47 A Q H 3< S+ 0 0 42 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.754 110.8 50.8 -62.9 -27.4 4.6 -36.6 -10.6 16 48 A G H 3< S+ 0 0 66 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.581 114.2 42.3 -86.8 -12.3 5.7 -37.2 -14.2 17 49 A L H << S+ 0 0 137 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.724 115.7 37.7-104.9 -29.5 9.1 -38.6 -13.3 18 50 A L S < S- 0 0 58 -4,-2.0 -1,-0.2 -5,-0.1 0, 0.0 -0.912 77.9-112.9-125.9 149.8 8.4 -40.9 -10.3 19 51 A D > - 0 0 83 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.416 46.2-100.4 -67.9 157.9 5.6 -43.3 -9.2 20 52 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.849 121.6 48.1 -52.5 -46.0 3.7 -42.1 -6.1 21 53 A E H > S+ 0 0 9 79,-0.3 4,-2.7 2,-0.2 5,-0.2 0.915 112.6 48.9 -64.8 -41.9 5.5 -44.3 -3.6 22 54 A S H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.906 111.2 50.1 -60.4 -44.6 8.9 -43.3 -5.0 23 55 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.910 111.0 50.2 -58.2 -45.0 7.9 -39.6 -4.8 24 56 A H H X S+ 0 0 26 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.941 111.0 48.2 -58.3 -50.3 6.8 -40.2 -1.2 25 57 A R H X S+ 0 0 115 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.894 112.6 47.7 -60.0 -43.5 10.1 -41.8 -0.3 26 58 A L H X S+ 0 0 64 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.876 110.4 53.6 -65.5 -39.2 12.1 -39.0 -1.9 27 59 A A H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.902 108.1 48.5 -60.8 -46.4 10.0 -36.4 -0.1 28 60 A V H X S+ 0 0 14 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.947 113.9 48.8 -58.0 -47.4 10.6 -37.9 3.3 29 61 A R H X S+ 0 0 134 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.933 113.5 44.7 -55.6 -53.7 14.3 -38.0 2.4 30 62 A F H <>S+ 0 0 101 -4,-3.0 5,-2.3 1,-0.2 4,-0.4 0.875 115.7 47.6 -60.5 -42.4 14.4 -34.3 1.3 31 63 A T H ><5S+ 0 0 8 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.900 106.4 56.9 -66.6 -43.0 12.3 -33.2 4.3 32 64 A S H 3<5S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.0 47.0 -60.2 -30.7 14.4 -35.1 6.8 33 65 A L T 3<5S- 0 0 130 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.522 115.2-117.4 -87.9 -8.4 17.5 -33.2 5.6 34 66 A G T < 5 + 0 0 18 -3,-1.3 2,-1.2 -4,-0.4 -3,-0.2 0.792 61.4 149.9 74.7 30.3 15.7 -29.9 5.7 35 67 A L < + 0 0 100 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.712 30.3 130.7 -93.2 83.1 16.0 -29.2 2.0 36 68 A L 0 0 37 -2,-1.2 -5,-0.0 -3,-0.1 41,-0.0 -0.845 360.0 360.0-133.7 162.9 12.8 -27.1 1.7 37 69 A P 0 0 74 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.388 360.0 360.0 -76.7 360.0 11.6 -23.8 0.3 38 ! 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 39 73 A F 0 0 111 0, 0.0 2,-0.6 0, 0.0 296,-0.0 0.000 360.0 360.0 360.0 127.9 5.0 -17.3 7.1 40 74 A Q - 0 0 180 294,-0.0 2,-0.2 1,-0.0 38,-0.0 -0.866 360.0-125.0 -95.5 115.2 5.2 -15.8 10.6 41 75 A D - 0 0 42 -2,-0.6 2,-0.2 2,-0.1 15,-0.1 -0.419 24.6-147.5 -64.3 122.8 2.5 -17.4 12.9 42 76 A S > - 0 0 33 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.512 25.8-109.6 -85.8 161.4 0.3 -14.7 14.5 43 77 A D G > S+ 0 0 143 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.722 113.2 73.2 -61.8 -24.6 -1.2 -15.1 18.0 44 78 A M G 3 S+ 0 0 32 1,-0.2 308,-2.7 307,-0.1 -1,-0.3 0.722 95.0 52.6 -58.3 -25.7 -4.6 -15.5 16.3 45 79 A L G < S+ 0 0 0 -3,-1.8 -1,-0.2 306,-0.2 -2,-0.2 0.563 82.3 112.7 -93.0 -9.7 -3.6 -19.0 15.2 46 80 A E < - 0 0 85 -3,-1.1 307,-0.5 -4,-0.3 2,-0.4 -0.428 44.7-173.0 -68.8 134.3 -2.5 -20.2 18.7 47 81 A V E -A 54 0A 1 7,-2.4 7,-2.8 -2,-0.2 2,-0.6 -0.996 16.0-154.3-128.9 132.8 -4.6 -23.0 20.2 48 82 A R E +A 53 0A 165 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.946 41.8 128.2-104.9 112.8 -4.5 -24.5 23.7 49 83 A V E > +A 52 0A 21 3,-2.1 3,-1.9 -2,-0.6 -2,-0.1 -0.974 53.0 28.9-153.5 162.2 -5.8 -28.1 23.8 50 84 A L T 3 S- 0 0 26 -2,-0.3 167,-0.2 1,-0.3 3,-0.1 0.713 129.8 -60.0 59.0 23.5 -4.9 -31.6 24.9 51 85 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 166,-0.0 -1,-0.3 0.666 119.1 91.8 80.3 19.3 -2.7 -30.1 27.7 52 86 A H E < S-A 49 0A 45 -3,-1.9 -3,-2.1 89,-0.0 2,-0.4 -0.961 73.4-118.3-143.9 155.5 -0.5 -28.2 25.2 53 87 A K E -A 48 0A 76 85,-0.3 2,-0.5 -2,-0.3 -5,-0.2 -0.806 23.5-162.5 -89.6 136.7 -0.0 -24.9 23.3 54 88 A F E -A 47 0A 0 -7,-2.8 -7,-2.4 -2,-0.4 88,-0.2 -0.981 11.2-152.4-120.3 114.7 -0.1 -25.2 19.5 55 89 A R S S+ 0 0 98 86,-3.2 -10,-0.2 -2,-0.5 -1,-0.1 0.810 85.4 5.0 -60.9 -32.1 1.5 -22.2 17.8 56 90 A N S S- 0 0 0 85,-0.4 -10,-0.1 24,-0.1 -9,-0.1 -0.956 73.5-125.2-141.8 161.4 -0.8 -22.8 14.7 57 91 A P S S+ 0 0 0 0, 0.0 262,-3.1 0, 0.0 2,-0.7 0.257 76.7 102.9 -92.7 15.2 -3.6 -25.4 14.2 58 92 A V E +b 319 0B 0 20,-0.2 22,-2.6 260,-0.2 23,-0.7 -0.851 47.4 173.8-106.6 108.2 -2.3 -27.0 11.0 59 93 A G E -bc 320 81B 0 260,-2.7 262,-2.0 -2,-0.7 2,-0.5 -0.681 36.7-108.9-109.5 161.5 -0.6 -30.4 11.4 60 94 A I E -bc 321 82B 0 21,-1.5 23,-1.2 -2,-0.2 262,-0.2 -0.812 42.1-125.9 -86.1 125.1 0.8 -33.0 9.1 61 95 A A > - 0 0 5 260,-2.0 3,-1.1 -2,-0.5 4,-0.4 -0.291 31.1 -88.7 -68.5 155.3 -1.5 -36.1 9.1 62 96 A A T 3 S+ 0 0 12 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.221 105.9 53.1 -58.0 153.3 -0.2 -39.6 9.9 63 97 A G T 3 S+ 0 0 11 22,-2.6 3,-0.5 2,-0.1 -1,-0.2 -0.069 89.7 75.2 108.0 -33.7 1.0 -41.5 7.0 64 98 A F S < S+ 0 0 7 -3,-1.1 2,-0.8 1,-0.3 3,-0.2 0.958 109.4 27.3 -73.6 -51.5 3.6 -39.1 5.5 65 99 A D S > S+ 0 0 1 18,-0.4 20,-1.8 -4,-0.4 3,-0.7 -0.739 75.3 163.1-109.8 78.7 6.2 -39.7 8.2 66 100 A K T 3 S+ 0 0 18 -2,-0.8 20,-0.2 -3,-0.5 -1,-0.2 0.815 74.9 36.9 -67.1 -31.6 5.4 -43.3 9.1 67 101 A H T 3 S- 0 0 20 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.220 111.3-105.9-112.9 13.7 8.7 -44.0 10.9 68 102 A G S < S+ 0 0 4 -3,-0.7 3,-0.1 17,-0.1 -2,-0.1 0.849 77.7 130.2 67.7 38.4 9.5 -40.7 12.6 69 103 A E S S+ 0 0 77 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.620 70.4 34.1 -96.0 -16.6 12.3 -39.7 10.1 70 104 A A S > S+ 0 0 2 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.117 70.3 125.2-133.6 22.0 11.4 -36.2 9.2 71 105 A V H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.897 79.9 44.5 -53.9 -50.6 9.8 -34.5 12.2 72 106 A D H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 112.2 51.9 -65.7 -41.6 12.2 -31.5 12.4 73 107 A G H > S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.846 107.7 54.5 -60.6 -35.1 11.9 -30.9 8.6 74 108 A L H X>S+ 0 0 0 -4,-2.2 5,-1.5 2,-0.2 4,-0.5 0.881 106.9 48.7 -69.3 -39.8 8.1 -30.9 9.0 75 109 A Y H ><5S+ 0 0 21 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.901 109.3 54.5 -61.3 -40.4 8.2 -28.2 11.7 76 110 A K H 3<5S+ 0 0 141 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.815 98.7 62.5 -61.7 -31.6 10.5 -26.3 9.4 77 111 A M H 3<5S- 0 0 22 -4,-1.3 -1,-0.3 -5,-0.1 257,-0.2 0.688 126.2-101.9 -67.4 -19.9 7.8 -26.6 6.7 78 112 A G T <<5 + 0 0 16 -3,-1.3 -20,-0.2 -4,-0.5 -3,-0.2 0.453 68.1 151.4 113.6 3.2 5.5 -24.6 9.0 79 113 A F < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -20,-0.2 -0.454 41.8-144.8 -66.6 135.9 3.3 -27.3 10.6 80 114 A G S S+ 0 0 0 -22,-2.6 -25,-0.4 1,-0.2 2,-0.3 0.624 83.6 7.9 -76.1 -17.1 2.1 -26.4 14.1 81 115 A F E -c 59 0B 0 -23,-0.7 -21,-1.5 61,-0.2 2,-0.4 -0.967 69.7-138.6-160.2 154.4 2.3 -30.0 15.1 82 116 A V E -cd 60 144B 0 61,-1.8 63,-3.4 -2,-0.3 2,-0.5 -0.960 8.3-166.0-120.4 132.9 3.6 -33.3 13.7 83 117 A E E - d 0 145B 1 -23,-1.2 -18,-0.4 -2,-0.4 2,-0.2 -0.982 10.9-166.6-115.5 124.9 2.0 -36.7 13.8 84 118 A I E - d 0 146B 0 61,-2.4 63,-2.7 -2,-0.5 -18,-0.2 -0.670 32.4 -10.3-103.2 164.4 4.2 -39.7 13.0 85 119 A G E - 0 0 0 -20,-1.8 -22,-2.6 1,-0.3 -20,-0.2 -0.554 35.0-129.6 107.4-174.9 3.0 -43.3 12.2 86 120 A S E - 0 0 5 61,-0.5 2,-0.4 -24,-0.2 -1,-0.3 0.318 55.2-174.0 -72.1 142.7 1.1 -45.5 12.1 87 121 A V E - d 0 148B 1 60,-2.2 62,-3.0 -3,-0.2 30,-0.1 -0.921 9.2-154.1-109.4 132.3 3.8 -47.5 13.9 88 122 A T - 0 0 0 -2,-0.4 32,-1.0 60,-0.2 62,-0.2 -0.685 26.0-115.0-101.2 155.4 3.3 -51.3 14.5 89 123 A P S S+ 0 0 8 0, 0.0 31,-1.5 0, 0.0 32,-0.6 0.969 101.5 31.6 -52.8 -57.9 4.9 -53.3 17.4 90 124 A K S S- 0 0 125 29,-0.2 29,-0.3 30,-0.1 -2,-0.1 -0.687 100.8 -96.0 -97.3 152.4 7.1 -55.5 15.1 91 125 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.369 49.4 174.7 -61.2 145.8 8.5 -54.3 11.8 92 126 A Q B -J 117 0C 38 25,-2.1 25,-2.4 23,-0.1 27,-0.1 -0.980 35.0-133.7-154.3 152.5 6.4 -55.3 8.8 93 127 A E - 0 0 176 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 0.745 37.8-145.7 -78.7 -27.4 6.6 -54.7 5.0 94 128 A G - 0 0 26 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.430 47.8 -19.9 84.2-167.6 2.9 -53.8 4.3 95 129 A N S S- 0 0 41 18,-3.1 4,-0.1 17,-0.3 17,-0.0 -0.242 77.8 -91.4 -71.5 158.5 1.1 -54.7 1.0 96 130 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.362 64.7 -63.5 -66.9 154.4 2.9 -55.5 -2.3 97 131 A R S S+ 0 0 139 2,-0.1 2,-0.1 -2,-0.0 16,-0.0 -0.611 109.9 51.9 -87.8 145.0 3.6 -52.7 -4.7 98 132 A P + 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.424 65.8 139.3 -79.9 147.9 2.0 -50.8 -6.3 99 133 A R + 0 0 15 1,-0.2 13,-3.3 -2,-0.1 2,-0.4 0.196 53.9 65.9-142.7 8.9 -0.0 -49.6 -3.3 100 134 A V E -K 111 0D 18 11,-0.2 2,-0.4 12,-0.1 -79,-0.3 -0.995 58.2-179.0-137.3 134.6 -0.3 -45.9 -3.9 101 135 A F E -K 110 0D 16 9,-3.0 9,-2.9 -2,-0.4 2,-0.4 -0.998 17.3-141.1-139.7 135.5 -2.2 -44.2 -6.7 102 136 A R E -K 109 0D 40 -2,-0.4 161,-0.3 7,-0.2 7,-0.2 -0.766 6.3-167.0 -96.4 141.2 -2.8 -40.6 -7.7 103 137 A L E >>> +K 108 0D 0 5,-3.1 3,-1.9 -2,-0.4 5,-1.9 -0.733 13.7 174.4-120.3 76.2 -6.1 -39.3 -9.1 104 138 A P G >45S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.861 75.4 58.5 -57.2 -37.3 -5.0 -35.9 -10.4 105 139 A E G 345S+ 0 0 126 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.660 116.2 36.5 -62.0 -18.0 -8.4 -35.1 -12.0 106 140 A D G <45S- 0 0 21 -3,-1.9 -1,-0.3 2,-0.2 167,-0.2 0.353 105.0-123.7-113.9 -1.3 -9.9 -35.5 -8.5 107 141 A Q T <<5S+ 0 0 65 -3,-1.1 166,-1.9 -4,-0.6 2,-0.3 0.929 75.0 125.3 47.7 48.7 -7.1 -34.0 -6.5 108 142 A A E < -KL 103 272D 0 -5,-1.9 -5,-3.1 164,-0.2 2,-0.3 -0.858 50.8-153.2-132.7 163.0 -7.2 -37.3 -4.7 109 143 A V E -KL 102 271D 17 162,-1.1 162,-2.8 -2,-0.3 2,-0.4 -0.974 4.5-155.3-133.5 146.1 -5.0 -40.3 -3.7 110 144 A I E +KL 101 270D 0 -9,-2.9 -9,-3.0 -2,-0.3 2,-0.4 -0.998 20.5 179.5-117.2 129.2 -5.8 -43.9 -3.1 111 145 A N E +KL 100 269D 33 158,-1.9 158,-2.8 -2,-0.4 -11,-0.2 -0.983 27.1 174.7-129.9 146.5 -3.5 -45.9 -0.9 112 146 A R + 0 0 54 -13,-3.3 -17,-0.3 -2,-0.4 -12,-0.1 -0.366 27.8 146.1-135.6 53.3 -3.3 -49.5 0.4 113 147 A Y - 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0 0 42 16,-0.1 16,-0.2 1,-0.0 -2,-0.1 -0.399 66.0-148.7 -75.0 158.4 -16.4 -45.1 -0.5 255 289 A R - 0 0 73 -2,-0.1 3,-0.1 10,-0.0 4,-0.1 -0.792 22.4-141.3-128.4 88.2 -16.0 -44.0 -4.1 256 290 A P > - 0 0 44 0, 0.0 3,-1.4 0, 0.0 19,-0.0 -0.088 27.3 -96.9 -48.3 142.4 -18.1 -40.8 -4.4 257 291 A A T 3 S+ 0 0 108 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.359 108.8 42.6 -56.5 139.6 -20.0 -40.4 -7.6 258 292 A G T 3 + 0 0 56 1,-0.3 -1,-0.2 -3,-0.1 2,-0.0 0.248 68.8 148.1 105.8 -13.1 -18.1 -38.1 -9.9 259 293 A L < - 0 0 7 -3,-1.4 -1,-0.3 1,-0.1 -153,-0.1 -0.348 21.0-177.4 -54.5 132.9 -14.5 -39.5 -9.5 260 294 A Q + 0 0 125 -157,-0.1 -1,-0.1 4,-0.0 4,-0.1 0.692 39.2 115.0-106.7 -28.3 -12.7 -39.0 -12.8 261 295 A G > - 0 0 1 -158,-0.2 3,-1.7 1,-0.1 4,-0.1 -0.132 67.9-131.5 -51.1 137.1 -9.2 -40.6 -12.2 262 296 A A T 3 S+ 0 0 99 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.789 108.7 54.4 -57.7 -27.4 -8.5 -43.7 -14.2 263 297 A L T > S+ 0 0 67 -161,-0.3 3,-1.8 1,-0.2 -1,-0.3 0.183 71.1 115.5 -96.3 15.7 -7.4 -45.3 -11.0 264 298 A R T < S+ 0 0 114 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.740 72.4 55.3 -58.3 -28.7 -10.6 -44.7 -9.1 265 299 A S T 3 S+ 0 0 105 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.2 0.268 77.6 121.7 -95.8 11.7 -11.5 -48.4 -8.7 266 300 A E S < S- 0 0 59 -3,-1.8 2,-0.2 1,-0.1 -155,-0.1 -0.504 71.9-106.6 -64.5 141.5 -8.2 -49.4 -7.1 267 301 A T S S+ 0 0 104 -2,-0.2 2,-0.3 -157,-0.1 -1,-0.1 -0.477 75.5 62.6 -66.7 138.1 -8.7 -51.0 -3.7 268 302 A G S S- 0 0 7 -2,-0.2 2,-0.5 -15,-0.1 -156,-0.2 -0.848 86.8 -36.9 142.8-171.7 -7.7 -48.8 -0.7 269 303 A G E -L 111 0D 0 -158,-2.8 -158,-1.9 -2,-0.3 2,-0.4 -0.750 49.3-142.0 -89.0 128.4 -8.4 -45.6 1.2 270 304 A L E +LM 110 252D 0 -18,-3.0 -18,-2.2 -2,-0.5 2,-0.2 -0.754 26.4 173.9 -90.2 132.4 -9.4 -42.5 -0.7 271 305 A S E +L 109 0D 12 -162,-2.8 -162,-1.1 -2,-0.4 2,-0.1 -0.748 31.4 45.1-128.0 176.4 -8.0 -39.2 0.5 272 306 A G E >> S-L 108 0D 5 -2,-0.2 3,-2.0 -164,-0.2 4,-0.9 -0.471 106.1 -10.3 87.6-157.3 -8.0 -35.5 -0.7 273 307 A K G >4 S+ 0 0 75 -166,-1.9 3,-1.0 1,-0.3 4,-0.5 0.816 127.3 57.0 -53.4 -43.4 -10.8 -33.4 -2.1 274 308 A P G 34 S+ 0 0 36 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.726 111.2 47.4 -63.0 -18.2 -13.5 -36.1 -2.6 275 309 A L G <> S+ 0 0 4 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 0.664 88.9 93.2 -86.0 -22.6 -13.1 -36.9 1.1 276 310 A R H S+ 0 0 82 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.845 114.2 59.0 -74.4 -32.1 -17.0 -32.7 3.1 278 312 A L H > S+ 0 0 64 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.914 111.3 44.6 -55.3 -43.3 -17.7 -36.3 4.2 279 313 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.932 111.2 52.0 -66.0 -47.4 -14.9 -35.7 6.8 280 314 A T H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 109.7 49.6 -56.4 -45.1 -16.3 -32.2 7.8 281 315 A Q H X S+ 0 0 106 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.835 109.0 52.5 -64.2 -33.6 -19.8 -33.7 8.3 282 316 A T H X S+ 0 0 3 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.911 109.4 49.2 -68.6 -42.1 -18.3 -36.5 10.5 283 317 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.942 110.6 51.7 -55.2 -49.4 -16.5 -33.8 12.6 284 318 A R H X S+ 0 0 66 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.913 112.5 44.6 -56.6 -48.5 -19.9 -31.9 12.9 285 319 A E H X S+ 0 0 61 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.928 114.3 48.1 -62.1 -47.6 -21.7 -35.1 14.1 286 320 A M H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 6,-0.2 0.885 109.8 52.8 -66.5 -38.0 -19.0 -36.1 16.6 287 321 A Y H <>S+ 0 0 33 -4,-2.8 5,-2.5 27,-0.2 6,-0.3 0.926 112.7 44.8 -58.2 -48.4 -18.8 -32.6 18.1 288 322 A A H ><5S+ 0 0 52 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.925 111.6 51.8 -62.6 -47.2 -22.6 -32.6 18.6 289 323 A L H 3<5S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 114.6 43.2 -63.3 -26.4 -22.6 -36.1 20.1 290 324 A T T ><5S- 0 0 0 -4,-1.5 3,-2.1 -5,-0.2 -1,-0.3 0.229 110.8-120.8-104.3 11.2 -19.9 -35.2 22.6 291 325 A Q T < 5 - 0 0 93 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.732 61.1 -70.0 60.7 27.3 -21.4 -31.8 23.4 292 326 A G T 3 S- 0 0 23 1,-0.1 4,-2.2 32,-0.1 -1,-0.2 -0.933 84.4 -96.0-152.9 169.8 -7.0 -24.1 1.8 305 339 A G H > S+ 0 0 0 -2,-0.3 4,-3.0 30,-0.2 5,-0.2 0.889 123.3 52.8 -58.4 -41.7 -7.9 -21.7 4.6 306 340 A Q H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 107.0 51.4 -63.1 -44.4 -11.6 -22.2 3.9 307 341 A D H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 113.2 46.2 -55.3 -47.8 -11.2 -26.0 4.1 308 342 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.941 113.5 47.5 -60.9 -49.9 -9.5 -25.5 7.5 309 343 A L H X S+ 0 0 4 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.841 106.3 57.8 -65.2 -34.1 -12.0 -23.0 8.8 310 344 A E H X S+ 0 0 66 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.929 110.3 44.1 -61.8 -41.6 -15.0 -25.2 7.8 311 345 A K H X>S+ 0 0 0 -4,-1.6 5,-2.8 2,-0.2 4,-0.7 0.887 114.3 50.1 -68.1 -39.6 -13.7 -28.0 9.9 312 346 A I H ><5S+ 0 0 0 -4,-2.2 45,-2.9 3,-0.2 3,-1.2 0.951 112.0 46.2 -62.6 -50.3 -12.9 -25.6 12.8 313 347 A R H 3<5S+ 0 0 46 -4,-3.1 46,-1.8 1,-0.3 47,-0.6 0.806 109.3 57.2 -60.6 -31.7 -16.4 -24.1 12.7 314 348 A A H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 -27,-0.2 0.655 137.9 -79.2 -73.6 -18.2 -17.8 -27.7 12.5 315 349 A G T <<5S+ 0 0 1 -3,-1.2 -19,-0.5 -4,-0.7 2,-0.3 0.373 83.7 135.4 136.9 -2.8 -16.0 -28.5 15.7 316 350 A A < - 0 0 0 -5,-2.8 -1,-0.3 1,-0.1 41,-0.2 -0.582 32.6-168.5 -77.4 133.5 -12.3 -29.2 15.1 317 351 A S S S+ 0 0 12 -21,-2.4 2,-0.3 -2,-0.3 -20,-0.2 0.722 81.7 13.9 -82.9 -28.1 -9.8 -27.5 17.5 318 352 A L E S- i 0 297B 2 -22,-1.4 -20,-3.1 -7,-0.1 2,-0.3 -0.946 72.0-150.2-142.0 156.6 -7.0 -28.5 15.2 319 353 A V E -bi 58 298B 0 -262,-3.1 -260,-2.7 -2,-0.3 2,-0.3 -0.889 4.8-160.1-126.7 162.0 -6.7 -29.7 11.6 320 354 A Q E -bi 59 299B 0 -22,-2.0 -20,-0.7 -2,-0.3 -18,-0.3 -0.963 4.1-169.2-133.3 155.6 -4.3 -31.9 9.6 321 355 A L E +b 60 0B 4 -262,-2.0 -260,-2.0 -2,-0.3 -18,-0.1 -0.980 21.6 149.8-137.1 155.9 -3.5 -32.3 5.9 322 356 A Y S >> S+ 0 0 51 -2,-0.3 3,-1.7 -262,-0.2 4,-0.9 0.309 72.3 54.4-139.2 -63.0 -1.5 -34.8 3.9 323 357 A T H >> S+ 0 0 16 1,-0.3 3,-0.8 2,-0.2 4,-0.8 0.814 102.8 59.7 -51.7 -41.0 -2.9 -35.3 0.3 324 358 A A H >> S+ 0 0 10 -22,-0.4 4,-3.0 1,-0.2 3,-0.8 0.847 99.4 58.8 -55.0 -37.0 -2.8 -31.5 -0.5 325 359 A L H <> S+ 0 0 14 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.855 100.9 56.0 -60.2 -35.0 1.0 -31.6 0.1 326 360 A T H << S+ 0 0 36 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.695 116.7 35.1 -74.1 -19.0 1.4 -34.2 -2.6 327 361 A F H << S+ 0 0 14 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.837 132.8 22.9 -97.9 -42.5 -0.3 -31.9 -5.1 328 362 A W H < S- 0 0 70 -4,-3.0 -3,-0.2 1,-0.2 -321,-0.2 0.560 95.6-140.7-106.2 -11.2 0.8 -28.4 -4.2 329 363 A G >< - 0 0 0 -4,-1.7 3,-2.1 -5,-0.4 4,-0.2 -0.108 52.8 -34.7 75.0-178.9 4.1 -29.1 -2.2 330 364 A P T >> S+ 0 0 24 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.718 124.1 73.0 -46.4 -36.4 5.3 -27.3 0.9 331 365 A P H 3> S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 -328,-0.1 0.745 81.5 74.3 -57.0 -21.2 3.9 -23.9 0.0 332 366 A V H <> S+ 0 0 2 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.827 88.4 60.6 -58.5 -31.1 0.4 -25.2 0.8 333 367 A V H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.2 -1,-0.2 0.969 109.3 38.8 -62.9 -53.7 1.2 -25.0 4.5 334 368 A G H X S+ 0 0 20 -4,-0.6 4,-3.0 -257,-0.2 5,-0.2 0.879 115.2 56.1 -62.8 -38.6 1.8 -21.2 4.6 335 369 A K H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.935 107.6 47.0 -58.0 -51.1 -1.1 -20.8 2.1 336 370 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.912 115.4 46.4 -56.8 -46.2 -3.6 -22.6 4.4 337 371 A K H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.906 113.5 47.6 -65.8 -45.7 -2.4 -20.5 7.4 338 372 A R H X S+ 0 0 112 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.904 115.4 45.0 -60.7 -45.6 -2.4 -17.2 5.6 339 373 A E H X S+ 0 0 61 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.899 112.1 52.4 -67.2 -40.1 -5.9 -17.8 4.2 340 374 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.917 109.2 49.4 -61.3 -47.6 -7.2 -19.1 7.6 341 375 A E H X S+ 0 0 45 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.923 112.0 48.5 -55.3 -48.4 -5.9 -15.9 9.3 342 376 A A H X S+ 0 0 53 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.862 112.3 48.7 -62.9 -38.9 -7.6 -13.7 6.7 343 377 A L H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 6,-0.2 0.865 107.3 54.2 -70.6 -39.5 -10.9 -15.6 7.0 344 378 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.2 0.930 112.5 45.0 -58.0 -46.0 -11.0 -15.4 10.8 345 379 A K H ><5S+ 0 0 123 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.925 112.2 51.8 -62.0 -47.3 -10.6 -11.6 10.6 346 380 A E H 3<5S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.4 47.2 -59.1 -33.2 -13.2 -11.4 7.9 347 381 A Q T 3<5S- 0 0 82 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.298 117.5-107.3 -99.9 9.0 -15.7 -13.4 9.9 348 382 A G T < 5 + 0 0 67 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.542 68.2 144.6 81.7 10.7 -15.2 -11.5 13.2 349 383 A F < - 0 0 33 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.653 45.2-150.2 -82.5 135.1 -13.3 -14.1 15.1 350 384 A G S S- 0 0 56 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.671 76.3 -30.0 -73.4 -18.5 -10.6 -12.9 17.5 351 385 A G S > S- 0 0 6 -7,-0.1 4,-0.9 1,-0.1 3,-0.5 -0.970 76.5 -73.2-178.7 177.2 -8.7 -16.2 16.9 352 386 A V H >> S+ 0 0 0 -308,-2.7 4,-1.0 -2,-0.3 3,-1.0 0.895 123.3 60.3 -52.3 -45.5 -9.0 -19.9 16.1 353 387 A T H >4 S+ 0 0 85 -307,-0.5 3,-0.6 1,-0.3 -1,-0.2 0.862 101.5 52.7 -54.4 -42.0 -10.3 -20.6 19.6 354 388 A D H 34 S+ 0 0 89 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.779 108.8 50.7 -63.6 -30.8 -13.3 -18.4 19.0 355 389 A A H X< S+ 0 0 0 -3,-1.0 3,-2.4 -4,-0.9 4,-0.3 0.633 77.5 118.0 -85.5 -16.8 -14.2 -20.2 15.8 356 390 A I T << S- 0 0 20 -4,-1.0 -43,-0.2 -3,-0.6 -39,-0.1 -0.352 97.5 -8.6 -58.5 114.4 -14.1 -23.7 17.3 357 391 A G T > S+ 0 0 0 -45,-2.9 3,-1.8 -2,-0.3 4,-0.5 0.596 88.0 145.5 74.8 13.3 -17.6 -25.1 16.9 358 392 A A G X + 0 0 11 -3,-2.4 3,-1.1 1,-0.3 4,-0.5 0.778 63.6 63.1 -54.8 -33.0 -19.1 -21.8 15.8 359 393 A D G > S+ 0 0 41 -46,-1.8 3,-0.6 -4,-0.3 -1,-0.3 0.794 97.5 57.1 -61.1 -30.4 -21.6 -23.4 13.4 360 394 A H G < S+ 0 0 69 -3,-1.8 -1,-0.2 -47,-0.6 -2,-0.2 0.644 104.6 52.5 -78.4 -13.6 -23.3 -25.1 16.3 361 395 A R G < 0 0 144 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.489 360.0 360.0-102.4 -6.0 -24.0 -21.8 18.1 362 396 A R < 0 0 244 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.588 360.0 360.0 -83.9 360.0 -25.7 -20.0 15.2