==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-08 3FJL . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.HEIKKILA . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15131.0 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 . 38 10.5 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 . 12 3.3 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 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 2 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 . 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 85 0, 0.0 2,-0.5 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 77.1 8.7 -21.1 -1.8 2 34 A D > - 0 0 85 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.781 360.0-148.3 -98.1 127.1 6.3 -20.0 -4.5 3 35 A E H > S+ 0 0 61 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.913 97.6 49.2 -57.1 -47.7 2.9 -21.7 -4.7 4 36 A R H > S+ 0 0 161 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.881 109.7 50.8 -63.2 -41.9 2.6 -21.3 -8.5 5 37 A F H >>S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-1.9 0.947 117.1 40.3 -63.0 -48.2 6.1 -22.7 -9.2 6 38 A Y H <>S+ 0 0 33 -4,-2.2 5,-2.2 3,-0.2 -2,-0.2 0.933 118.9 46.0 -62.6 -49.1 5.4 -25.8 -7.1 7 39 A A H <5S+ 0 0 23 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.879 126.5 26.8 -63.7 -42.6 1.8 -26.3 -8.2 8 40 A E H <5S+ 0 0 115 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.734 136.1 14.0 -97.0 -26.7 2.5 -25.9 -12.0 9 41 A H T X5S+ 0 0 108 -4,-2.2 4,-1.9 -5,-0.5 -3,-0.2 0.814 120.1 40.7-116.2 -62.3 6.1 -26.9 -12.4 10 42 A L H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.875 114.2 49.5 -59.9 -34.0 3.8 -32.1 -11.9 13 45 A T H X S+ 0 0 84 -4,-1.9 4,-1.5 2,-0.2 3,-0.2 0.951 112.8 45.9 -65.8 -50.3 7.4 -32.7 -13.0 14 46 A L H X S+ 0 0 47 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.903 113.3 50.0 -54.6 -45.9 8.1 -34.9 -10.0 15 47 A Q H < S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.763 110.8 50.8 -67.6 -27.0 4.8 -36.7 -10.6 16 48 A G H < S+ 0 0 66 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.738 114.7 42.5 -79.9 -25.4 5.8 -37.3 -14.2 17 49 A L H < S+ 0 0 142 -4,-1.5 2,-0.3 -3,-0.3 -2,-0.2 0.800 115.9 37.9 -92.1 -33.4 9.2 -38.7 -13.3 18 50 A L S < S- 0 0 61 -4,-2.1 -1,-0.1 -5,-0.2 0, 0.0 -0.882 77.8-112.5-122.4 150.5 8.4 -41.0 -10.4 19 51 A D > - 0 0 81 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.396 47.1-100.7 -67.3 158.7 5.6 -43.4 -9.3 20 52 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.874 120.9 49.7 -56.3 -43.8 3.7 -42.2 -6.2 21 53 A E H > S+ 0 0 7 79,-0.3 4,-2.8 2,-0.2 5,-0.2 0.914 112.1 48.0 -62.5 -42.4 5.5 -44.4 -3.6 22 54 A S H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 111.4 50.8 -62.2 -42.8 8.9 -43.4 -5.0 23 55 A A H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 110.5 49.8 -60.6 -43.8 7.9 -39.7 -4.8 24 56 A H H X S+ 0 0 25 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.954 111.2 48.9 -57.9 -51.0 6.7 -40.2 -1.2 25 57 A R H X S+ 0 0 108 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.890 112.8 46.5 -58.0 -45.4 10.0 -41.8 -0.3 26 58 A L H X S+ 0 0 83 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.894 110.3 54.8 -63.8 -42.0 12.1 -39.0 -1.9 27 59 A A H X S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.889 108.9 47.2 -54.4 -46.6 9.8 -36.5 -0.2 28 60 A V H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.959 114.4 47.3 -63.2 -49.5 10.5 -38.0 3.2 29 61 A R H X S+ 0 0 130 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.914 114.3 46.5 -53.5 -50.2 14.3 -38.1 2.5 30 62 A F H <>S+ 0 0 95 -4,-3.1 5,-1.4 1,-0.2 4,-0.3 0.892 113.4 48.1 -64.5 -42.9 14.3 -34.5 1.2 31 63 A T H ><5S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.906 107.4 56.0 -63.0 -44.2 12.3 -33.2 4.2 32 64 A S H 3<5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.810 103.5 54.7 -62.7 -31.1 14.5 -35.0 6.7 33 65 A L T 3<5S- 0 0 123 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.509 110.1-126.0 -80.3 -6.1 17.6 -33.3 5.4 34 66 A G T < 5 + 0 0 19 -3,-1.7 2,-0.8 -4,-0.3 -3,-0.2 0.795 61.2 142.2 68.5 30.0 15.9 -29.9 5.9 35 67 A L < + 0 0 90 -5,-1.4 -1,-0.2 0, 0.0 -2,-0.1 -0.897 31.3 134.6-100.4 102.2 16.3 -28.7 2.4 36 68 A L 0 0 38 -2,-0.8 -5,-0.0 1,-0.1 41,-0.0 -0.961 360.0 360.0-150.3 158.9 13.0 -26.9 1.8 37 69 A P 0 0 75 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.285 360.0 360.0 -73.9 360.0 11.4 -23.6 0.5 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 0 113 0, 0.0 2,-0.6 0, 0.0 296,-0.0 0.000 360.0 360.0 360.0 122.1 5.0 -17.4 7.1 40 74 A Q - 0 0 182 294,-0.0 2,-0.4 1,-0.0 38,-0.0 -0.840 360.0-120.0 -91.1 122.3 5.3 -15.9 10.6 41 75 A D - 0 0 42 -2,-0.6 2,-0.1 1,-0.1 15,-0.0 -0.499 23.2-137.5 -70.1 120.4 2.5 -17.4 12.8 42 76 A S > - 0 0 32 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.384 21.2-116.9 -64.0 148.2 0.1 -14.8 14.2 43 77 A D G > S+ 0 0 143 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.792 113.5 72.8 -53.8 -29.5 -1.0 -15.1 17.9 44 78 A M G 3 S+ 0 0 33 1,-0.3 308,-2.8 307,-0.1 309,-0.3 0.716 92.6 54.4 -59.1 -22.8 -4.5 -15.6 16.3 45 79 A L G < S+ 0 0 0 -3,-1.8 -1,-0.3 306,-0.2 -2,-0.2 0.556 82.2 111.8 -91.6 -10.7 -3.5 -19.1 15.2 46 80 A E < - 0 0 76 -3,-1.4 307,-0.5 -4,-0.4 2,-0.4 -0.436 45.2-174.5 -69.1 136.1 -2.4 -20.3 18.6 47 81 A V E -A 54 0A 1 7,-2.2 7,-3.0 -2,-0.2 2,-0.6 -0.993 16.2-153.2-130.9 135.9 -4.6 -23.0 20.2 48 82 A R E +A 53 0A 158 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.962 41.6 125.4-110.2 115.8 -4.4 -24.5 23.6 49 83 A V E > +A 52 0A 23 3,-2.2 3,-1.9 -2,-0.6 -2,-0.1 -0.967 52.9 31.6-157.1 163.1 -5.8 -28.1 23.8 50 84 A L T 3 S- 0 0 27 -2,-0.3 167,-0.3 1,-0.3 3,-0.1 0.731 130.2 -58.5 57.6 25.0 -4.8 -31.6 24.9 51 85 A G T 3 S+ 0 0 52 1,-0.3 2,-0.3 165,-0.1 -1,-0.3 0.675 119.2 93.4 81.1 18.6 -2.6 -30.2 27.6 52 86 A H E < S-A 49 0A 45 -3,-1.9 -3,-2.2 89,-0.0 2,-0.4 -0.962 72.6-121.9-142.2 155.5 -0.5 -28.2 25.1 53 87 A K E -A 48 0A 75 -2,-0.3 2,-0.5 85,-0.3 -5,-0.2 -0.838 24.9-162.9 -88.1 133.9 0.0 -25.0 23.3 54 88 A F E -A 47 0A 0 -7,-3.0 -7,-2.2 -2,-0.4 88,-0.2 -0.985 11.2-152.1-116.9 118.8 -0.1 -25.3 19.5 55 89 A R S S+ 0 0 101 86,-3.3 -10,-0.2 -2,-0.5 -1,-0.1 0.854 84.5 4.8 -68.6 -27.9 1.5 -22.4 17.7 56 90 A N S S- 0 0 0 85,-0.4 -1,-0.2 24,-0.1 -10,-0.1 -0.965 72.8-126.1-143.6 161.0 -0.8 -22.9 14.7 57 91 A P S S+ 0 0 0 0, 0.0 262,-3.1 0, 0.0 2,-0.7 0.256 76.9 103.6 -92.5 15.1 -3.6 -25.5 14.2 58 92 A V E +b 319 0B 0 20,-0.2 22,-2.5 260,-0.2 23,-0.6 -0.842 48.0 174.6-104.8 106.3 -2.2 -27.0 11.0 59 93 A G E -bc 320 81B 0 260,-2.7 262,-1.8 -2,-0.7 2,-0.5 -0.652 36.6-110.4-108.1 160.3 -0.6 -30.4 11.4 60 94 A I E -bc 321 82B 0 21,-1.5 23,-1.1 260,-0.2 262,-0.2 -0.819 42.6-127.2 -86.4 122.7 0.9 -33.1 9.1 61 95 A A > - 0 0 4 260,-2.0 3,-1.1 -2,-0.5 4,-0.4 -0.267 31.5 -84.5 -67.6 157.5 -1.5 -36.1 9.2 62 96 A A T 3 S+ 0 0 14 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.235 106.7 48.7 -55.8 148.9 -0.3 -39.7 9.9 63 97 A G T 3 S+ 0 0 11 22,-2.6 3,-0.5 2,-0.1 -1,-0.2 -0.009 89.9 78.5 106.9 -26.0 1.1 -41.7 7.0 64 98 A F S < S+ 0 0 7 -3,-1.1 2,-0.7 1,-0.3 3,-0.2 0.961 109.6 25.0 -76.2 -50.5 3.5 -39.1 5.5 65 99 A D S > S+ 0 0 1 18,-0.4 20,-1.8 -4,-0.4 3,-0.8 -0.725 76.4 163.6-110.1 77.0 6.2 -39.8 8.1 66 100 A K T 3 S+ 0 0 19 -2,-0.7 20,-0.2 -3,-0.5 -1,-0.2 0.784 75.4 37.9 -65.8 -29.0 5.3 -43.4 9.1 67 101 A H T 3 S- 0 0 21 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.226 111.3-107.0-114.1 14.3 8.7 -44.1 10.8 68 102 A G S < S+ 0 0 4 -3,-0.8 3,-0.2 17,-0.1 -2,-0.1 0.856 77.0 130.5 63.9 38.1 9.5 -40.7 12.5 69 103 A E S S+ 0 0 78 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.626 70.7 34.4 -93.3 -17.3 12.3 -39.8 10.0 70 104 A A S > S+ 0 0 2 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.073 71.1 125.1-131.6 23.2 11.4 -36.2 9.1 71 105 A V H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.920 80.1 43.5 -55.9 -49.8 9.9 -34.7 12.2 72 106 A D H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 112.6 52.6 -66.1 -38.7 12.2 -31.7 12.4 73 107 A G H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.857 107.4 54.4 -63.7 -35.0 12.0 -31.0 8.6 74 108 A L H <>S+ 0 0 0 -4,-2.4 5,-1.4 2,-0.2 4,-0.5 0.894 106.2 49.3 -68.0 -41.6 8.2 -31.0 9.0 75 109 A Y H ><5S+ 0 0 20 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.909 108.4 55.2 -60.0 -40.2 8.3 -28.4 11.7 76 110 A K H 3<5S+ 0 0 140 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 98.1 63.1 -60.8 -31.9 10.5 -26.4 9.4 77 111 A M T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -5,-0.1 257,-0.2 0.655 125.7-101.7 -66.9 -16.2 7.8 -26.7 6.7 78 112 A G T < 5 + 0 0 16 -3,-1.6 -20,-0.2 -4,-0.5 -3,-0.2 0.476 68.3 152.1 109.4 1.9 5.5 -24.7 9.0 79 113 A F < - 0 0 1 -5,-1.4 -1,-0.3 1,-0.1 -20,-0.2 -0.462 41.1-145.6 -65.2 133.9 3.4 -27.4 10.5 80 114 A G S S+ 0 0 0 -22,-2.5 -25,-0.5 1,-0.2 2,-0.3 0.641 83.0 7.6 -72.7 -19.6 2.1 -26.5 14.0 81 115 A F E S-c 59 0B 0 -23,-0.6 -21,-1.5 61,-0.2 2,-0.4 -0.973 70.0-139.3-160.5 151.6 2.3 -30.1 15.1 82 116 A V E -cd 60 144B 0 61,-1.9 63,-3.4 -2,-0.3 2,-0.5 -0.963 8.7-165.9-120.2 136.5 3.6 -33.3 13.7 83 117 A E E - d 0 145B 0 -23,-1.1 -18,-0.4 -2,-0.4 2,-0.2 -0.986 11.0-166.0-119.8 126.1 2.0 -36.8 13.8 84 118 A I E - d 0 146B 0 61,-2.6 63,-3.3 -2,-0.5 -18,-0.2 -0.699 31.4 -11.0-106.1 165.7 4.1 -39.8 12.9 85 119 A G E - d 0 147B 0 -20,-1.8 -22,-2.6 1,-0.3 -20,-0.2 -0.609 35.1-129.5 107.3-171.6 3.0 -43.4 12.2 86 120 A S E - 0 0 5 61,-0.5 2,-0.4 -24,-0.2 -1,-0.3 0.381 54.3-174.0 -71.6 142.9 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 -0.930 8.7-154.6-108.9 131.8 3.8 -47.6 13.9 88 122 A T - 0 0 0 -2,-0.4 32,-1.2 60,-0.2 62,-0.2 -0.659 26.0-114.0-102.1 157.7 3.2 -51.4 14.4 89 123 A P S S+ 0 0 9 0, 0.0 31,-1.3 0, 0.0 32,-0.5 0.975 101.9 31.6 -56.7 -57.7 4.9 -53.4 17.3 90 124 A K S S- 0 0 126 29,-0.2 29,-0.3 30,-0.1 -2,-0.1 -0.687 100.6 -98.2 -92.1 151.0 7.0 -55.6 15.0 91 125 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.341 48.4 175.8 -59.9 148.7 8.5 -54.4 11.7 92 126 A Q B -J 117 0C 38 25,-2.2 25,-2.2 23,-0.1 27,-0.1 -0.977 35.1-131.9-155.9 153.3 6.4 -55.5 8.7 93 127 A E - 0 0 180 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 0.730 37.9-145.7 -81.2 -23.3 6.6 -54.8 5.0 94 128 A G - 0 0 26 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.391 48.0 -18.7 80.7-167.1 2.9 -53.9 4.3 95 129 A N S S- 0 0 42 18,-3.1 4,-0.1 17,-0.3 17,-0.0 -0.218 77.2 -88.9 -71.2 158.0 1.2 -54.7 0.9 96 130 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.328 65.5 -71.0 -57.4 148.9 2.8 -55.7 -2.4 97 131 A R S S+ 0 0 131 2,-0.1 2,-0.1 -76,-0.0 16,-0.0 -0.610 109.1 55.0 -87.1 150.8 3.6 -52.8 -4.7 98 132 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.507 66.8 140.1 -73.0 147.4 2.1 -50.8 -6.4 99 133 A R + 0 0 16 1,-0.2 13,-3.3 -2,-0.1 2,-0.3 0.224 52.6 64.4-143.3 8.8 -0.0 -49.8 -3.4 100 134 A V E -K 111 0D 18 11,-0.2 2,-0.4 12,-0.1 -79,-0.3 -0.991 59.4-176.8-136.4 139.7 -0.4 -46.0 -3.9 101 135 A F E -K 110 0D 15 9,-2.7 9,-2.5 -2,-0.3 2,-0.4 -0.997 16.8-139.7-143.1 136.3 -2.2 -44.3 -6.8 102 136 A R E -K 109 0D 38 -2,-0.4 161,-0.3 7,-0.2 7,-0.2 -0.798 7.4-167.9-101.2 142.7 -2.8 -40.7 -7.8 103 137 A L E >>> +K 108 0D 0 5,-3.0 5,-2.1 -2,-0.4 3,-1.7 -0.768 13.8 174.0-122.2 75.2 -6.1 -39.4 -9.1 104 138 A P G >45S+ 0 0 71 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.882 75.1 59.0 -58.8 -35.2 -5.0 -36.0 -10.4 105 139 A E G 345S+ 0 0 129 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.707 116.0 36.7 -63.5 -18.1 -8.4 -35.1 -12.0 106 140 A D G <45S- 0 0 21 -3,-1.7 -1,-0.3 2,-0.2 167,-0.2 0.394 104.5-124.4-112.4 1.8 -9.9 -35.5 -8.5 107 141 A Q T <<5S+ 0 0 66 -3,-1.2 166,-1.9 -4,-0.6 2,-0.3 0.916 74.8 126.3 47.3 45.6 -7.1 -34.0 -6.5 108 142 A A E < -KL 103 272D 0 -5,-2.1 -5,-3.0 164,-0.2 2,-0.3 -0.864 50.6-153.6-128.6 161.9 -7.3 -37.4 -4.7 109 143 A V E -KL 102 271D 15 162,-0.9 162,-2.7 -2,-0.3 2,-0.4 -0.965 4.2-156.1-128.9 145.6 -5.0 -40.4 -3.7 110 144 A I E +KL 101 270D 0 -9,-2.5 -9,-2.7 -2,-0.3 2,-0.4 -0.999 21.1 178.7-116.5 127.9 -5.9 -44.0 -3.2 111 145 A N E +KL 100 269D 31 158,-1.8 158,-2.8 -2,-0.4 -11,-0.2 -0.979 27.0 174.0-126.9 147.1 -3.5 -46.0 -0.9 112 146 A R + 0 0 55 -13,-3.3 -17,-0.3 -2,-0.4 -12,-0.1 -0.323 26.8 146.7-137.4 51.6 -3.3 -49.5 0.4 113 147 A Y - 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0 0 43 16,-0.1 16,-0.2 1,-0.0 -2,-0.1 -0.382 66.7-147.6 -74.4 162.1 -16.4 -45.2 -0.5 255 289 A R - 0 0 72 -2,-0.1 3,-0.1 10,-0.0 4,-0.1 -0.806 22.2-141.1-131.6 88.0 -16.0 -44.0 -4.1 256 290 A P > - 0 0 43 0, 0.0 3,-1.3 0, 0.0 19,-0.0 -0.142 28.1 -95.9 -51.3 143.9 -18.2 -40.9 -4.4 257 291 A A T 3 S+ 0 0 108 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.305 109.0 40.9 -55.9 140.0 -20.1 -40.5 -7.6 258 292 A G T 3 + 0 0 55 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.314 68.4 148.3 103.1 -9.6 -18.1 -38.2 -10.0 259 293 A L < - 0 0 8 -3,-1.3 -1,-0.3 1,-0.1 -153,-0.1 -0.443 21.6-176.1 -57.8 133.6 -14.5 -39.5 -9.5 260 294 A Q + 0 0 125 -157,-0.1 -1,-0.1 -2,-0.1 4,-0.0 0.616 39.1 116.4-106.6 -22.7 -12.7 -39.1 -12.8 261 295 A G > - 0 0 1 -158,-0.2 3,-1.7 1,-0.2 4,-0.1 -0.176 67.3-131.7 -55.6 139.9 -9.3 -40.6 -12.2 262 296 A A T 3 S+ 0 0 98 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.811 109.1 53.7 -58.6 -27.7 -8.5 -43.7 -14.3 263 297 A L T > S+ 0 0 67 -161,-0.3 3,-2.0 1,-0.2 -1,-0.3 0.225 71.6 116.1 -95.6 13.0 -7.4 -45.4 -11.0 264 298 A R T < S+ 0 0 121 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.727 72.5 54.8 -56.8 -25.0 -10.7 -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 0.294 77.5 120.7 -99.7 11.7 -11.6 -48.4 -8.8 266 300 A E S < S- 0 0 59 -3,-2.0 2,-0.2 1,-0.1 -155,-0.1 -0.491 72.8-105.1 -61.5 140.9 -8.2 -49.5 -7.1 267 301 A T S S+ 0 0 102 -2,-0.2 2,-0.3 -157,-0.1 -1,-0.1 -0.468 76.0 64.2 -63.5 136.9 -8.7 -51.0 -3.7 268 302 A G S S- 0 0 6 -2,-0.2 2,-0.4 -15,-0.1 -156,-0.2 -0.852 85.8 -39.1 144.0-171.2 -7.8 -48.8 -0.7 269 303 A G E -L 111 0D 0 -158,-2.8 -158,-1.8 -2,-0.3 2,-0.4 -0.733 48.9-140.7 -90.1 130.3 -8.5 -45.7 1.2 270 304 A L E +LM 110 252D 0 -18,-3.2 -18,-2.2 -2,-0.4 -160,-0.2 -0.773 27.0 172.8 -91.8 133.1 -9.4 -42.6 -0.7 271 305 A S E +L 109 0D 11 -162,-2.7 -162,-0.9 -2,-0.4 2,-0.1 -0.727 31.9 46.8-126.9 176.6 -8.0 -39.2 0.5 272 306 A G E >> S-L 108 0D 4 -2,-0.2 3,-1.9 -164,-0.2 4,-0.8 -0.463 106.1 -11.3 88.4-160.0 -8.0 -35.5 -0.8 273 307 A K G >4 S+ 0 0 75 -166,-1.9 3,-1.3 1,-0.3 4,-0.5 0.833 127.3 56.9 -52.4 -44.0 -10.8 -33.4 -2.1 274 308 A P G 34 S+ 0 0 38 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.722 110.2 47.9 -64.6 -16.4 -13.5 -36.0 -2.6 275 309 A L G <> S+ 0 0 3 -3,-1.9 4,-2.3 1,-0.1 5,-0.3 0.640 88.3 94.5 -84.3 -21.9 -13.2 -36.9 1.1 276 310 A R H S+ 0 0 82 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.866 113.8 58.8 -76.4 -32.0 -17.0 -32.8 3.1 278 312 A L H > S+ 0 0 68 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.906 111.4 45.3 -54.0 -43.1 -17.7 -36.4 4.2 279 313 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.945 111.3 50.9 -66.1 -49.8 -14.9 -35.7 6.8 280 314 A T H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.922 110.5 49.7 -53.9 -47.3 -16.3 -32.2 7.8 281 315 A Q H X S+ 0 0 106 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.853 109.2 52.1 -61.4 -35.8 -19.8 -33.8 8.3 282 316 A T H X S+ 0 0 3 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.913 109.8 48.9 -67.2 -43.6 -18.3 -36.5 10.5 283 317 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.933 110.5 52.1 -55.2 -47.4 -16.6 -33.9 12.6 284 318 A R H X S+ 0 0 65 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.931 112.7 43.7 -58.6 -47.6 -19.9 -32.0 12.9 285 319 A E H X S+ 0 0 67 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.910 114.0 49.4 -64.1 -46.1 -21.7 -35.1 14.1 286 320 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 6,-0.2 0.875 109.4 52.2 -64.7 -38.3 -19.0 -36.2 16.6 287 321 A Y H <>S+ 0 0 33 -4,-2.6 5,-2.6 27,-0.2 6,-0.3 0.909 112.9 45.3 -61.3 -46.5 -18.8 -32.7 18.1 288 322 A A H ><5S+ 0 0 53 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.931 111.9 50.6 -63.0 -47.2 -22.6 -32.7 18.6 289 323 A L H 3<5S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 115.7 43.0 -65.3 -25.7 -22.7 -36.2 20.1 290 324 A T T ><5S- 0 0 0 -4,-1.5 3,-2.0 -5,-0.2 -1,-0.3 0.237 110.6-121.9-102.8 8.7 -19.8 -35.3 22.5 291 325 A Q T < 5 - 0 0 94 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.745 60.2 -69.2 60.8 27.9 -21.4 -31.9 23.4 292 326 A G T 3 S- 0 0 19 1,-0.1 4,-2.4 32,-0.1 32,-0.2 -0.943 83.0-102.0-151.5 166.5 -7.1 -24.2 1.8 305 339 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 30,-0.2 5,-0.2 0.884 122.9 53.4 -58.3 -42.4 -7.8 -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 0.920 107.1 50.5 -61.5 -45.5 -11.5 -22.2 3.8 307 341 A D H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.925 113.2 47.1 -54.9 -49.2 -11.2 -26.0 4.1 308 342 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.2 0.952 112.5 48.0 -58.2 -52.9 -9.5 -25.6 7.5 309 343 A L H X S+ 0 0 4 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.872 106.5 57.1 -62.1 -35.2 -12.1 -23.1 8.8 310 344 A E H X S+ 0 0 67 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.924 110.8 43.7 -61.0 -41.5 -15.0 -25.2 7.8 311 345 A K H X>S+ 0 0 0 -4,-1.6 5,-2.5 -3,-0.2 4,-0.7 0.908 114.3 51.0 -68.8 -41.3 -13.6 -28.1 9.9 312 346 A I H ><5S+ 0 0 0 -4,-2.6 45,-2.7 3,-0.2 3,-1.3 0.952 111.7 45.4 -59.3 -51.5 -12.9 -25.7 12.7 313 347 A R H 3<5S+ 0 0 46 -4,-3.2 46,-2.0 1,-0.3 47,-0.6 0.780 108.3 59.3 -64.0 -25.2 -16.4 -24.2 12.7 314 348 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.3 -27,-0.2 0.643 137.7 -79.0 -74.5 -17.7 -17.8 -27.8 12.5 315 349 A G T <<5S+ 0 0 1 -3,-1.3 -19,-0.5 -4,-0.7 2,-0.3 0.384 84.5 135.9 135.7 0.9 -16.0 -28.5 15.8 316 350 A A < - 0 0 0 -5,-2.5 -1,-0.3 1,-0.1 41,-0.2 -0.618 32.3-169.3 -78.8 133.6 -12.3 -29.2 15.1 317 351 A S S S+ 0 0 12 -21,-2.6 2,-0.3 -2,-0.3 -20,-0.2 0.717 81.5 13.7 -85.3 -26.0 -9.8 -27.6 17.5 318 352 A L E S- i 0 297B 1 -22,-1.4 -20,-3.0 -7,-0.1 2,-0.3 -0.941 71.4-151.1-142.1 159.1 -6.9 -28.5 15.1 319 353 A V E -bi 58 298B 0 -262,-3.1 -260,-2.7 -2,-0.3 2,-0.3 -0.878 4.6-161.3-129.3 161.5 -6.7 -29.7 11.5 320 354 A Q E -bi 59 299B 0 -22,-1.8 -20,-0.7 -2,-0.3 2,-0.3 -0.961 3.2-168.2-135.6 157.6 -4.3 -31.9 9.6 321 355 A L E +b 60 0B 3 -262,-1.8 -260,-2.0 -2,-0.3 -18,-0.1 -0.975 21.3 151.4-137.7 153.6 -3.5 -32.4 5.9 322 356 A Y S >> S+ 0 0 52 -2,-0.3 3,-1.7 -262,-0.2 4,-0.9 0.294 72.6 54.1-137.0 -62.1 -1.5 -34.9 3.8 323 357 A T H >> S+ 0 0 15 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.817 102.6 59.9 -51.5 -39.5 -2.9 -35.3 0.3 324 358 A A H >> S+ 0 0 10 -22,-0.4 4,-3.1 1,-0.3 3,-0.8 0.854 99.1 58.8 -56.5 -37.3 -2.8 -31.6 -0.5 325 359 A L H <> S+ 0 0 13 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.841 100.8 56.1 -60.8 -33.3 1.0 -31.6 0.1 326 360 A T H << S+ 0 0 35 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.701 117.1 34.6 -74.8 -20.5 1.4 -34.3 -2.6 327 361 A F H << S+ 0 0 14 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.832 133.5 23.3 -95.5 -43.4 -0.3 -31.9 -5.2 328 362 A W H < S- 0 0 70 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.613 94.7-144.5-102.0 -16.7 0.8 -28.5 -4.1 329 363 A G >< - 0 0 1 -4,-1.6 3,-2.2 -5,-0.5 4,-0.2 -0.139 53.8 -31.9 72.2-176.8 4.1 -29.3 -2.3 330 364 A P T >> S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.704 124.2 71.8 -48.6 -34.2 5.4 -27.4 0.8 331 365 A P H 3> S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -328,-0.1 0.752 82.1 76.2 -57.9 -20.6 3.9 -23.9 -0.1 332 366 A V H <> S+ 0 0 3 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.823 87.5 59.7 -58.2 -31.4 0.5 -25.3 0.8 333 367 A V H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.2 -1,-0.2 0.961 109.2 39.5 -64.5 -51.3 1.2 -25.1 4.5 334 368 A G H X S+ 0 0 18 -4,-0.6 4,-3.1 -257,-0.2 5,-0.3 0.890 114.8 56.4 -64.8 -36.7 1.8 -21.3 4.6 335 369 A K H X S+ 0 0 36 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.946 107.7 46.3 -58.6 -52.1 -1.1 -20.9 2.1 336 370 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.923 116.3 45.9 -54.6 -50.2 -3.6 -22.7 4.4 337 371 A K H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.915 113.3 47.5 -62.3 -48.3 -2.3 -20.6 7.4 338 372 A R H X S+ 0 0 113 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.915 116.1 45.2 -58.9 -45.9 -2.4 -17.2 5.6 339 373 A E H X S+ 0 0 62 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.905 112.1 51.1 -67.1 -40.0 -5.8 -17.9 4.2 340 374 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.912 109.1 51.2 -63.4 -45.9 -7.2 -19.1 7.5 341 375 A E H X S+ 0 0 35 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.925 111.0 47.8 -55.5 -48.8 -5.9 -16.1 9.3 342 376 A A H X S+ 0 0 53 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.899 112.3 49.6 -60.5 -43.9 -7.6 -13.7 6.8 343 377 A L H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 6,-0.2 0.858 106.4 55.0 -64.7 -40.9 -10.9 -15.6 7.1 344 378 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.2 0.936 112.7 43.6 -55.1 -46.9 -10.8 -15.5 10.9 345 379 A K H ><5S+ 0 0 124 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.937 113.1 51.9 -63.9 -47.6 -10.5 -11.7 10.6 346 380 A E H 3<5S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 111.5 46.4 -58.8 -36.8 -13.1 -11.4 7.9 347 381 A Q T 3<5S- 0 0 80 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.345 117.5-109.7 -93.9 7.6 -15.7 -13.4 9.9 348 382 A G T < 5 + 0 0 68 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.651 65.5 148.1 76.7 20.5 -15.1 -11.5 13.1 349 383 A F < - 0 0 32 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.717 46.0-146.0 -86.1 134.7 -13.3 -14.2 15.1 350 384 A G S S- 0 0 55 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.783 75.9 -40.5 -66.4 -27.4 -10.6 -13.1 17.6 351 385 A G S >> S- 0 0 6 -7,-0.1 4,-1.1 1,-0.1 3,-0.7 -0.973 76.9 -63.6-177.0-176.7 -8.7 -16.2 16.8 352 386 A V H >> S+ 0 0 0 -308,-2.8 4,-1.1 -2,-0.3 3,-1.0 0.901 124.5 59.4 -47.1 -48.5 -8.9 -20.0 16.1 353 387 A T H >4 S+ 0 0 85 -307,-0.5 3,-0.5 1,-0.3 -1,-0.2 0.855 102.0 52.9 -54.9 -40.3 -10.2 -20.7 19.6 354 388 A D H <4 S+ 0 0 84 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.811 108.6 51.2 -63.8 -32.5 -13.3 -18.4 19.0 355 389 A A H X< S+ 0 0 0 -4,-1.1 3,-2.4 -3,-1.0 4,-0.3 0.673 77.4 116.7 -82.5 -19.8 -14.2 -20.3 15.8 356 390 A I T << S- 0 0 22 -4,-1.1 -43,-0.2 -3,-0.5 -39,-0.1 -0.322 97.6 -8.1 -58.7 117.4 -14.1 -23.8 17.2 357 391 A G T > S+ 0 0 0 -45,-2.7 3,-1.8 -41,-0.2 4,-0.4 0.553 88.4 144.0 75.3 8.2 -17.6 -25.2 16.9 358 392 A A G X + 0 0 11 -3,-2.4 3,-1.4 1,-0.3 4,-0.5 0.782 63.7 62.7 -51.4 -34.0 -19.1 -21.8 15.8 359 393 A D G > S+ 0 0 40 -46,-2.0 3,-0.7 -4,-0.3 -1,-0.3 0.827 98.0 57.3 -61.6 -30.8 -21.6 -23.5 13.4 360 394 A H G < S+ 0 0 67 -3,-1.8 -1,-0.3 -47,-0.6 -2,-0.2 0.615 104.1 53.9 -75.9 -10.6 -23.2 -25.2 16.4 361 395 A R G < 0 0 145 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.490 360.0 360.0-105.2 -4.6 -23.9 -21.8 18.0 362 396 A R < 0 0 246 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.494 360.0 360.0 -88.1 360.0 -25.7 -20.0 15.2