==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-09 3KVJ . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.MCLEAN,Y.ZHANG . 363 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 69.4 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 . 11 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 31.4 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 2 0 2 1 0 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 70 0, 0.0 2,-0.4 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -14.9 -8.9 20.9 -1.9 2 34 A D > - 0 0 93 1,-0.2 4,-1.6 2,-0.0 5,-0.2 -0.609 360.0-149.9 -77.4 127.5 -6.4 19.5 -4.4 3 35 A E H > S+ 0 0 52 -2,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.864 96.3 52.3 -64.1 -36.5 -3.0 21.3 -4.2 4 36 A R H 4 S+ 0 0 204 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.837 106.2 52.1 -71.9 -34.5 -2.4 20.7 -7.9 5 37 A F H 4 S+ 0 0 104 2,-0.2 5,-2.7 1,-0.2 6,-0.2 0.901 114.7 41.6 -70.4 -41.6 -5.7 22.2 -9.1 6 38 A Y H < 0 0 37 -4,-1.6 5,-2.5 3,-0.2 -2,-0.2 0.931 360.0 360.0 -67.8 -47.0 -5.2 25.4 -7.2 7 39 A A < 0 0 46 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.839 360.0 360.0 -69.5 360.0 -1.5 25.8 -8.0 8 ! 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 9 41 A H > 0 0 140 0, 0.0 4,-0.9 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 -48.7 -5.2 26.2 -12.7 10 42 A L H > + 0 0 56 -5,-2.7 4,-2.2 2,-0.2 3,-0.2 0.961 360.0 40.6 -72.2 -54.6 -7.3 28.0 -10.1 11 43 A M H > S+ 0 0 20 -5,-2.5 4,-2.5 1,-0.2 5,-0.2 0.921 113.4 52.7 -64.5 -46.0 -4.8 30.5 -8.7 12 44 A P H > S+ 0 0 68 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.822 112.7 48.1 -58.0 -29.5 -3.2 31.4 -12.1 13 45 A T H < S+ 0 0 88 -4,-0.9 4,-0.4 -3,-0.2 3,-0.2 0.900 110.8 47.2 -79.4 -43.7 -6.6 32.1 -13.4 14 46 A L H >X S+ 0 0 47 -4,-2.2 4,-2.5 1,-0.2 3,-1.4 0.889 109.0 55.3 -64.7 -40.1 -7.9 34.3 -10.6 15 47 A Q H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.5 55.3 -64.0 -26.7 -4.6 36.3 -10.6 16 48 A G T 3< S+ 0 0 69 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.592 114.2 40.4 -80.9 -10.3 -5.2 37.0 -14.3 17 49 A L T <4 S+ 0 0 143 -3,-1.4 2,-0.4 -4,-0.4 -2,-0.2 0.770 115.2 44.0-103.7 -36.7 -8.7 38.4 -13.5 18 50 A L S < S- 0 0 58 -4,-2.5 -1,-0.2 2,-0.0 0, 0.0 -0.906 75.8-121.9-119.7 138.8 -8.1 40.5 -10.4 19 51 A D > - 0 0 86 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.359 45.1-101.6 -63.7 157.7 -5.4 42.9 -9.3 20 52 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.841 119.3 50.8 -62.1 -36.1 -3.8 41.7 -6.0 21 53 A E H > S+ 0 0 8 81,-0.3 4,-2.6 2,-0.2 5,-0.2 0.917 112.3 47.5 -66.4 -40.2 -5.6 44.0 -3.6 22 54 A S H > S+ 0 0 46 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 112.3 49.8 -64.4 -42.9 -9.0 43.0 -5.1 23 55 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.894 110.8 51.4 -61.2 -40.1 -8.0 39.4 -4.9 24 56 A H H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.949 109.8 47.4 -62.1 -50.6 -7.0 39.9 -1.3 25 57 A R H X S+ 0 0 152 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.893 113.7 49.0 -59.6 -40.2 -10.2 41.6 -0.3 26 58 A L H X S+ 0 0 72 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.905 109.6 51.5 -66.0 -42.4 -12.2 38.8 -2.0 27 59 A A H X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.879 108.4 51.5 -62.8 -39.3 -10.1 36.1 -0.2 28 60 A V H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 111.6 48.6 -62.5 -41.8 -10.8 37.8 3.1 29 61 A R H X S+ 0 0 145 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.956 113.0 45.1 -63.4 -52.5 -14.5 37.7 2.4 30 62 A F H <>S+ 0 0 102 -4,-2.8 5,-2.0 1,-0.2 4,-0.3 0.879 115.3 48.9 -58.7 -40.3 -14.6 34.1 1.3 31 63 A T H ><5S+ 0 0 5 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.924 109.6 50.1 -67.5 -44.9 -12.5 33.0 4.3 32 64 A S H 3<5S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 110.4 51.7 -65.0 -27.8 -14.6 34.9 6.8 33 65 A L T 3<5S- 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.476 113.3-119.5 -87.6 -4.4 -17.7 33.3 5.3 34 66 A G T < 5 + 0 0 20 -3,-1.4 2,-1.1 -4,-0.3 -3,-0.2 0.629 60.3 150.9 76.1 13.5 -16.2 29.9 5.6 35 67 A L < + 0 0 83 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.682 42.6 87.4 -81.7 100.7 -16.4 29.2 1.9 36 68 A L S S- 0 0 33 -2,-1.1 3,-0.0 -3,-0.1 42,-0.0 -0.744 89.9 -93.5 161.7 124.1 -13.5 26.9 1.8 37 69 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.375 46.9-113.2 -58.3 144.1 -13.2 23.2 2.3 38 70 A R - 0 0 172 1,-0.1 41,-0.2 2,-0.0 40,-0.1 -0.690 49.2 -89.9 -75.1 137.3 -12.4 22.5 5.9 39 71 A A - 0 0 39 39,-1.9 -1,-0.1 -2,-0.4 41,-0.1 -0.191 30.3-156.8 -59.5 135.3 -8.9 21.1 5.8 40 72 A R + 0 0 242 -39,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.845 65.7 99.8 -78.6 -36.3 -8.7 17.3 5.6 41 73 A F - 0 0 49 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 -0.305 63.6-152.6 -56.2 123.1 -5.2 17.1 7.1 42 74 A Q - 0 0 173 -2,-0.1 2,-0.2 294,-0.0 -1,-0.1 -0.892 20.6-117.3-101.8 126.9 -5.5 16.1 10.7 43 75 A D - 0 0 31 -2,-0.5 2,-0.2 1,-0.1 15,-0.1 -0.391 25.3-144.3 -68.0 130.4 -2.6 17.3 12.9 44 76 A S > - 0 0 32 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.505 28.1-106.8 -86.4 163.0 -0.5 14.6 14.5 45 77 A D G > S+ 0 0 146 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.728 113.8 74.9 -61.0 -22.5 1.0 15.0 18.0 46 78 A M G 3 S+ 0 0 29 1,-0.2 308,-2.7 307,-0.1 309,-0.3 0.762 93.7 51.7 -59.1 -27.3 4.4 15.4 16.3 47 79 A L G < S+ 0 0 0 -3,-1.8 -1,-0.2 306,-0.2 -2,-0.2 0.541 81.8 113.2 -93.2 -8.4 3.4 19.0 15.3 48 80 A E < - 0 0 58 -3,-1.2 307,-0.4 -4,-0.3 2,-0.4 -0.431 44.5-172.7 -69.9 135.8 2.3 20.2 18.7 49 81 A V E -A 56 0A 1 7,-2.5 7,-2.9 -2,-0.2 2,-0.6 -0.992 15.7-154.0-130.0 137.1 4.5 22.9 20.3 50 82 A R E +A 55 0A 191 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.932 41.7 125.7-111.8 110.1 4.3 24.4 23.7 51 83 A V E > +A 54 0A 23 3,-1.8 3,-2.4 -2,-0.6 -2,-0.1 -0.964 52.8 31.4-152.2 164.9 5.7 28.0 23.8 52 84 A L T 3 S- 0 0 25 -2,-0.3 167,-0.2 1,-0.3 3,-0.1 0.720 129.6 -60.6 57.1 21.5 4.7 31.5 24.9 53 85 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 166,-0.0 -1,-0.3 0.636 118.8 88.7 83.9 14.5 2.6 30.0 27.7 54 86 A H E < S-A 51 0A 54 -3,-2.4 -3,-1.8 89,-0.0 2,-0.4 -0.937 73.9-115.9-141.0 161.0 0.4 28.2 25.3 55 87 A K E -A 50 0A 76 85,-0.3 2,-0.5 -2,-0.3 -5,-0.2 -0.835 23.5-162.8 -92.5 135.5 -0.1 24.9 23.3 56 88 A F E -A 49 0A 1 -7,-2.9 -7,-2.5 -2,-0.4 88,-0.2 -0.986 12.4-151.3-118.2 119.5 -0.1 25.2 19.5 57 89 A R S S+ 0 0 92 86,-3.0 -10,-0.2 -2,-0.5 -1,-0.1 0.821 85.4 5.2 -65.3 -29.7 -1.6 22.2 17.8 58 90 A N S S- 0 0 0 85,-0.4 -1,-0.2 24,-0.1 -10,-0.1 -0.977 72.3-124.5-147.3 160.9 0.7 22.8 14.9 59 91 A P S S+ 0 0 0 0, 0.0 262,-3.2 0, 0.0 2,-0.7 0.297 77.8 99.7 -88.2 8.7 3.5 25.3 14.2 60 92 A V E +b 321 0B 0 20,-0.2 22,-2.9 260,-0.2 23,-0.7 -0.856 48.2 171.5-106.8 111.2 2.2 26.9 11.0 61 93 A G E -bc 322 83B 0 260,-2.7 262,-1.8 -2,-0.7 2,-0.5 -0.699 37.9-107.1-113.4 165.0 0.4 30.2 11.4 62 94 A I E -bc 323 84B 1 21,-1.5 23,-1.1 -2,-0.2 262,-0.2 -0.815 42.5-126.5 -88.8 127.4 -0.9 32.9 9.1 63 95 A A > - 0 0 4 260,-2.0 3,-1.1 -2,-0.5 4,-0.4 -0.301 31.6 -86.3 -71.5 156.6 1.3 36.0 9.2 64 96 A A T 3 S+ 0 0 13 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.197 105.7 51.5 -54.4 150.4 0.1 39.5 10.0 65 97 A G T 3 S+ 0 0 12 22,-2.2 3,-0.4 2,-0.1 -1,-0.2 0.007 89.4 76.2 110.5 -29.0 -1.2 41.5 7.0 66 98 A F S < S+ 0 0 10 -3,-1.1 2,-0.8 1,-0.3 3,-0.2 0.953 109.1 27.8 -76.5 -52.7 -3.7 39.0 5.5 67 99 A D S > S+ 0 0 1 18,-0.4 20,-1.6 -4,-0.4 3,-0.7 -0.711 75.7 163.0-105.8 78.7 -6.4 39.6 8.2 68 100 A K T 3 S+ 0 0 20 -2,-0.8 -1,-0.2 -3,-0.4 20,-0.1 0.809 75.0 36.2 -67.1 -30.2 -5.5 43.2 9.1 69 101 A H T 3 S- 0 0 19 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.256 111.4-106.5-113.5 10.8 -8.8 43.9 10.9 70 102 A G S < S+ 0 0 4 -3,-0.7 3,-0.1 17,-0.1 -2,-0.1 0.866 77.1 129.9 71.4 38.2 -9.7 40.6 12.5 71 103 A E S S+ 0 0 78 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.638 70.1 35.6 -97.7 -17.7 -12.4 39.6 10.1 72 104 A A S > S+ 0 0 1 1,-0.1 4,-2.1 2,-0.1 5,-0.2 0.122 71.2 124.8-128.6 19.8 -11.5 36.1 9.1 73 105 A V H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.893 79.4 43.7 -55.2 -49.2 -10.0 34.5 12.2 74 106 A D H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 112.0 53.4 -67.1 -37.4 -12.3 31.5 12.4 75 107 A G H > S+ 0 0 9 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.851 106.6 54.4 -62.9 -33.0 -12.1 30.9 8.7 76 108 A L H X>S+ 0 0 0 -4,-2.1 5,-1.5 2,-0.2 4,-0.5 0.879 105.8 50.0 -72.2 -37.8 -8.3 30.8 9.1 77 109 A Y H ><5S+ 0 0 21 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.902 108.6 54.4 -61.4 -39.3 -8.4 28.2 11.8 78 110 A K H 3<5S+ 0 0 58 -4,-1.9 -39,-1.9 1,-0.3 -2,-0.2 0.801 98.9 62.5 -63.6 -29.0 -10.6 26.2 9.4 79 111 A M H 3<5S- 0 0 11 -4,-1.1 -1,-0.3 -41,-0.2 -2,-0.2 0.681 126.0-101.6 -71.3 -18.4 -7.9 26.5 6.8 80 112 A G T <<5 + 0 0 9 -3,-1.3 -20,-0.2 -4,-0.5 -3,-0.2 0.454 68.7 150.2 114.3 2.8 -5.7 24.6 9.1 81 113 A F < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -20,-0.2 -0.446 41.7-145.6 -67.9 139.4 -3.4 27.2 10.6 82 114 A G S S+ 0 0 0 -22,-2.9 -25,-0.4 1,-0.2 2,-0.3 0.634 83.0 9.0 -82.9 -15.5 -2.3 26.3 14.1 83 115 A F E -c 61 0B 0 -23,-0.7 -21,-1.5 61,-0.2 2,-0.4 -0.975 69.1-140.8-158.2 158.1 -2.4 30.0 15.1 84 116 A V E -cd 62 146B 0 61,-1.8 63,-3.5 -2,-0.3 2,-0.5 -0.965 7.5-166.8-124.1 134.0 -3.7 33.3 13.7 85 117 A E E - d 0 147B 1 -23,-1.1 -18,-0.4 -2,-0.4 -19,-0.2 -0.985 10.8-166.9-118.3 125.0 -2.1 36.7 13.9 86 118 A I E - d 0 148B 0 61,-2.5 63,-2.6 -2,-0.5 -18,-0.2 -0.660 32.1 -4.9-104.2 166.0 -4.3 39.7 13.0 87 119 A G E - 0 0 0 -20,-1.6 -22,-2.2 1,-0.3 63,-0.1 -0.615 34.3-133.8 110.9-174.7 -3.1 43.3 12.3 88 120 A S E - 0 0 5 61,-0.5 2,-0.4 -2,-0.2 -1,-0.3 0.387 54.4-175.6 -72.6 144.5 -1.3 45.4 12.1 89 121 A V E - d 0 150B 1 60,-2.2 62,-3.1 -3,-0.2 30,-0.1 -0.929 9.4-154.7-109.3 132.7 -3.9 47.5 13.9 90 122 A T - 0 0 0 -2,-0.4 32,-1.0 60,-0.2 62,-0.2 -0.689 26.5-113.9-101.5 159.1 -3.4 51.3 14.5 91 123 A P S S+ 0 0 8 0, 0.0 31,-1.3 0, 0.0 32,-0.6 0.962 101.5 31.4 -57.7 -55.2 -5.0 53.3 17.3 92 124 A K S S- 0 0 128 29,-0.2 29,-0.3 30,-0.1 -2,-0.1 -0.706 100.4 -95.4 -97.8 154.5 -7.2 55.4 15.0 93 125 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.352 48.8 175.6 -58.6 145.5 -8.7 54.3 11.7 94 126 A Q B -J 119 0C 32 25,-2.2 25,-2.5 1,-0.1 27,-0.1 -0.979 34.2-135.7-155.6 154.6 -6.6 55.2 8.6 95 127 A E - 0 0 159 -2,-0.3 23,-0.2 1,-0.2 2,-0.1 0.733 37.0-146.0 -83.0 -25.1 -6.8 54.6 4.9 96 128 A G - 0 0 27 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.475 46.9 -21.5 84.5-164.5 -3.1 53.7 4.1 97 129 A N S S- 0 0 45 18,-3.0 4,-0.1 17,-0.3 17,-0.0 -0.331 75.6 -90.9 -78.9 159.2 -1.4 54.6 0.8 98 130 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.318 64.2 -67.0 -62.9 151.5 -3.1 55.4 -2.5 99 131 A R S S+ 0 0 171 2,-0.1 2,-0.1 1,-0.0 16,-0.0 -0.618 109.0 53.0 -92.1 152.5 -3.8 52.5 -4.9 100 132 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.461 67.5 142.2 -73.0 147.0 -2.2 50.6 -6.5 101 133 A R + 0 0 12 1,-0.2 13,-3.3 -2,-0.1 2,-0.3 0.240 53.5 62.3-139.7 9.6 -0.2 49.6 -3.5 102 134 A V E -K 113 0D 17 11,-0.2 2,-0.4 12,-0.1 -81,-0.3 -0.997 60.0-174.2-139.8 140.1 0.3 45.8 -3.9 103 135 A F E -K 112 0D 16 9,-2.8 9,-2.5 -2,-0.3 2,-0.4 -0.996 16.8-137.2-142.0 134.4 2.1 44.1 -6.8 104 136 A R E -K 111 0D 38 -2,-0.4 161,-0.3 7,-0.2 7,-0.2 -0.740 7.6-168.9 -90.7 137.7 2.7 40.5 -7.9 105 137 A L E >>> +K 110 0D 0 5,-3.1 5,-1.9 -2,-0.4 3,-1.9 -0.715 14.9 172.4-116.1 77.5 6.1 39.3 -9.1 106 138 A P G >45S+ 0 0 68 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.854 74.3 58.3 -58.9 -36.6 5.0 35.9 -10.4 107 139 A E G 345S+ 0 0 130 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.690 116.7 36.2 -64.0 -18.2 8.4 35.1 -12.0 108 140 A D G <45S- 0 0 18 -3,-1.9 -1,-0.2 2,-0.2 167,-0.2 0.388 104.7-124.3-112.4 -0.8 9.9 35.4 -8.5 109 141 A Q T <<5S+ 0 0 62 -3,-0.9 166,-1.9 -4,-0.7 2,-0.3 0.929 74.7 123.6 48.9 47.5 7.0 34.0 -6.5 110 142 A A E < -KL 105 274D 0 -5,-1.9 -5,-3.1 164,-0.2 2,-0.3 -0.863 51.3-151.3-132.9 164.1 7.2 37.3 -4.7 111 143 A V E -KL 104 273D 14 162,-1.2 162,-2.7 -2,-0.3 2,-0.4 -0.980 3.5-155.9-132.3 146.2 5.0 40.2 -3.8 112 144 A I E +KL 103 272D 0 -9,-2.5 -9,-2.8 -2,-0.3 2,-0.4 -0.996 21.2 178.4-116.8 130.8 5.8 43.9 -3.1 113 145 A N E +KL 102 271D 33 158,-1.9 158,-2.6 -2,-0.4 -11,-0.2 -0.985 27.1 175.1-132.4 145.6 3.4 45.9 -1.0 114 146 A R + 0 0 57 -13,-3.3 -17,-0.3 -2,-0.4 -12,-0.1 -0.342 27.1 146.9-135.2 54.0 3.2 49.4 0.4 115 147 A Y - 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0 0 91 -3,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.753 60.6 -70.7 59.1 27.1 21.3 31.9 23.5 294 326 A G T 3 S- 0 0 21 1,-0.1 4,-2.1 32,-0.1 5,-0.2 -0.966 83.4-102.5-152.8 166.7 6.9 24.0 1.8 307 339 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 30,-0.2 5,-0.2 0.868 121.7 54.4 -60.6 -36.2 7.7 21.6 4.6 308 340 A Q H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 106.5 50.6 -64.0 -43.2 11.4 22.0 3.8 309 341 A D H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.916 113.0 46.8 -59.7 -43.9 11.2 25.8 4.1 310 342 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.2 0.942 112.1 48.7 -64.2 -48.1 9.4 25.5 7.5 311 343 A L H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.840 105.7 58.1 -64.6 -32.5 11.9 22.9 8.9 312 344 A E H X S+ 0 0 67 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.911 109.7 44.4 -64.3 -38.3 14.9 25.0 7.8 313 345 A K H X>S+ 0 0 0 -4,-1.5 5,-2.8 -3,-0.2 4,-0.6 0.889 113.6 50.0 -72.3 -39.0 13.6 27.9 9.9 314 346 A I H ><5S+ 0 0 0 -4,-2.3 45,-2.8 3,-0.2 3,-1.2 0.946 111.9 47.4 -61.4 -48.1 12.8 25.6 12.9 315 347 A R H 3<5S+ 0 0 45 -4,-3.0 46,-2.1 1,-0.3 47,-0.5 0.811 107.8 57.4 -64.2 -28.3 16.3 24.1 12.7 316 348 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -27,-0.2 0.633 138.3 -79.3 -75.7 -15.0 17.7 27.6 12.5 317 349 A G T <<5S+ 0 0 1 -3,-1.2 -19,-0.5 -4,-0.6 2,-0.3 0.423 83.8 136.5 134.7 1.3 15.9 28.4 15.8 318 350 A A < - 0 0 0 -5,-2.8 -1,-0.3 1,-0.1 41,-0.2 -0.611 32.8-167.7 -80.1 134.8 12.2 29.1 15.2 319 351 A S S S+ 0 0 14 -21,-2.6 2,-0.3 -2,-0.3 -20,-0.2 0.724 80.8 12.0 -85.8 -27.1 9.7 27.5 17.5 320 352 A L E S- i 0 299B 1 -22,-1.4 -20,-3.2 -7,-0.1 2,-0.3 -0.943 71.5-150.1-141.2 159.9 6.8 28.4 15.2 321 353 A V E -bi 60 300B 0 -262,-3.2 -260,-2.7 -2,-0.3 2,-0.3 -0.919 5.0-161.7-128.8 160.3 6.6 29.6 11.6 322 354 A Q E -bi 61 301B 0 -22,-2.1 -20,-0.6 -2,-0.3 -18,-0.3 -0.923 4.3-170.3-130.0 162.4 4.1 31.8 9.6 323 355 A L E +b 62 0B 4 -262,-1.8 -260,-2.0 -2,-0.3 -18,-0.1 -0.979 20.7 152.4-144.8 157.1 3.4 32.3 6.0 324 356 A Y S >> S+ 0 0 54 -2,-0.3 3,-2.1 -262,-0.2 4,-0.6 0.280 71.8 55.3-140.2 -62.2 1.4 34.7 3.9 325 357 A T H >> S+ 0 0 16 1,-0.3 3,-1.3 2,-0.2 4,-0.8 0.809 99.2 62.4 -55.7 -37.2 2.7 35.2 0.3 326 358 A A H >>>S+ 0 0 11 -22,-0.4 4,-2.9 1,-0.3 3,-0.7 0.833 96.5 62.6 -56.5 -31.5 2.7 31.5 -0.6 327 359 A L H <>5S+ 0 0 16 -3,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.853 96.8 57.2 -61.3 -35.4 -1.0 31.6 -0.1 328 360 A T H <<5S+ 0 0 41 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.739 117.8 31.9 -73.0 -21.5 -1.3 34.1 -3.0 329 361 A F H <<5S+ 0 0 14 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.801 133.5 25.0-101.1 -37.1 0.4 31.7 -5.4 330 362 A W H <5S- 0 0 72 -4,-2.9 -3,-0.2 -5,-0.2 -323,-0.2 0.585 95.7-146.1-108.7 -15.5 -0.7 28.2 -4.2 331 363 A G ><< - 0 0 2 -4,-1.6 3,-2.3 -5,-0.5 4,-0.2 -0.073 49.6 -33.9 75.9-177.8 -3.9 29.0 -2.4 332 364 A P T >> S+ 0 0 33 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.746 124.4 71.2 -49.9 -33.9 -5.4 27.3 0.7 333 365 A P H 3> S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.753 82.0 75.2 -58.1 -20.0 -4.0 23.9 -0.1 334 366 A V H <> S+ 0 0 3 -3,-2.3 4,-2.6 1,-0.2 5,-0.2 0.800 85.8 62.5 -66.3 -25.7 -0.5 25.1 0.7 335 367 A V H <> S+ 0 0 0 -3,-1.7 4,-1.9 -4,-0.2 -1,-0.2 0.959 108.7 38.7 -64.6 -50.9 -1.3 25.0 4.5 336 368 A G H X S+ 0 0 14 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.855 113.9 57.6 -67.1 -33.6 -1.9 21.3 4.6 337 369 A K H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.941 107.1 46.9 -61.3 -48.2 1.0 20.7 2.2 338 370 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.904 114.6 47.2 -59.7 -43.3 3.5 22.4 4.4 339 371 A K H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.910 113.2 47.2 -67.9 -42.7 2.3 20.5 7.5 340 372 A R H X S+ 0 0 111 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.931 115.2 45.6 -64.1 -46.0 2.3 17.1 5.7 341 373 A E H X S+ 0 0 62 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.869 111.3 53.6 -65.6 -36.4 5.8 17.7 4.3 342 374 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.922 108.7 48.5 -64.7 -44.7 7.0 19.0 7.6 343 375 A E H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.915 111.8 49.6 -61.0 -44.0 5.9 15.9 9.4 344 376 A A H X S+ 0 0 40 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 112.1 48.0 -61.8 -42.9 7.5 13.6 6.8 345 377 A L H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 6,-0.2 0.873 107.2 55.0 -68.0 -39.6 10.8 15.5 7.0 346 378 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.2 0.928 111.6 45.6 -58.5 -44.7 10.9 15.4 10.9 347 379 A K H ><5S+ 0 0 121 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.925 111.0 52.7 -62.7 -45.7 10.5 11.6 10.7 348 380 A E H 3<5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 111.5 46.2 -61.6 -31.7 13.2 11.3 8.0 349 381 A Q T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.294 118.8-106.4-101.8 9.3 15.7 13.3 10.0 350 382 A G T < 5 + 0 0 67 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.634 67.7 144.6 85.2 15.3 15.1 11.4 13.2 351 383 A F < - 0 0 33 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.725 43.9-150.2 -88.0 135.2 13.2 14.1 15.2 352 384 A G S S- 0 0 58 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.772 76.7 -26.8 -71.8 -25.5 10.4 12.8 17.5 353 385 A G S >> S- 0 0 8 -7,-0.1 4,-0.8 1,-0.1 3,-0.7 -0.974 76.9 -76.2-171.7 178.0 8.6 16.1 17.0 354 386 A V H >> S+ 0 0 0 -308,-2.7 3,-1.2 -2,-0.3 4,-1.0 0.882 121.9 61.1 -54.4 -41.7 8.8 19.7 16.1 355 387 A T H >4 S+ 0 0 84 -307,-0.4 3,-0.6 -309,-0.3 -1,-0.2 0.860 100.6 54.0 -58.1 -37.1 10.1 20.6 19.6 356 388 A D H <4 S+ 0 0 90 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.769 107.1 52.1 -67.2 -26.5 13.1 18.4 19.1 357 389 A A H X< S+ 0 0 0 -3,-1.2 3,-2.3 -4,-0.8 4,-0.3 0.653 77.2 117.1 -87.9 -17.1 14.1 20.1 15.9 358 390 A I T << S- 0 0 20 -4,-1.0 -43,-0.2 -3,-0.6 -39,-0.1 -0.331 96.4 -8.2 -59.9 119.4 14.0 23.7 17.2 359 391 A G T > S+ 0 0 0 -45,-2.8 3,-1.8 -41,-0.2 4,-0.4 0.600 88.7 143.1 73.0 11.4 17.5 25.2 17.0 360 392 A A G X + 0 0 10 -3,-2.3 3,-1.4 1,-0.3 4,-0.3 0.789 62.2 64.2 -58.0 -30.7 19.0 21.8 15.9 361 393 A D G > S+ 0 0 43 -46,-2.1 3,-0.8 -4,-0.3 -1,-0.3 0.796 96.5 58.3 -62.0 -28.5 21.4 23.4 13.5 362 394 A H G < S+ 0 0 71 -3,-1.8 -1,-0.3 -47,-0.5 -2,-0.2 0.581 103.9 51.8 -80.6 -9.4 23.2 25.1 16.4 363 395 A R G < 0 0 148 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.402 360.0 360.0-105.1 -0.5 23.9 21.8 18.1 364 396 A R < 0 0 234 -3,-0.8 -3,-0.0 -4,-0.3 0, 0.0 -0.180 360.0 360.0 -81.0 360.0 25.5 20.1 15.0