==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JAN-06 2FQI . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BAUMGARTNER,J.LEBAN . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 71.8 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 . 14 3.9 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 . 119 32.9 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 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 0 114 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 125.7 51.7 58.7 -4.3 2 35 A E H > + 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 360.0 48.6 -58.2 -45.3 48.3 57.0 -4.3 3 36 A R H > S+ 0 0 170 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.924 109.6 51.9 -63.5 -45.8 47.8 57.4 -8.0 4 37 A F H >>S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-2.2 0.927 114.7 41.3 -57.6 -48.6 51.2 56.0 -9.0 5 38 A Y H <>S+ 0 0 40 -4,-2.1 5,-2.2 3,-0.2 -1,-0.2 0.938 120.7 42.7 -65.8 -46.7 50.8 52.9 -6.8 6 39 A A H <5S+ 0 0 25 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.891 125.0 33.5 -67.7 -41.0 47.2 52.3 -7.8 7 40 A E H <5S+ 0 0 115 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.741 136.8 2.7 -90.7 -25.2 47.6 53.0 -11.5 8 41 A H T X5S+ 0 0 105 -4,-2.4 4,-2.2 -5,-0.4 5,-0.2 0.717 120.5 48.1-127.7 -55.2 51.1 51.8 -12.3 9 42 A L H > S+ 0 0 58 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.923 114.3 46.2 -56.0 -43.2 49.1 46.8 -11.6 12 45 A T H >X S+ 0 0 88 -4,-2.2 3,-0.8 2,-0.2 4,-0.7 0.941 112.6 48.9 -64.1 -48.4 52.6 46.1 -13.1 13 46 A L H >X S+ 0 0 55 -4,-2.9 4,-1.8 1,-0.3 3,-1.1 0.901 110.6 51.1 -58.9 -42.4 53.7 44.0 -10.2 14 47 A Q H 3< S+ 0 0 39 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.691 105.3 57.2 -70.4 -17.7 50.5 41.9 -10.3 15 48 A G H << S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.605 112.9 40.3 -86.8 -11.4 51.1 41.4 -14.0 16 49 A L H << S+ 0 0 136 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.686 115.2 47.2-106.0 -26.9 54.5 39.9 -13.3 17 50 A L S < S- 0 0 56 -4,-1.8 -1,-0.2 -5,-0.1 0, 0.0 -0.932 77.9-119.7-123.6 144.3 53.9 37.8 -10.2 18 51 A D > - 0 0 83 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.363 44.7 -99.2 -70.4 159.7 51.2 35.3 -9.3 19 52 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.852 120.8 47.3 -50.2 -45.4 49.2 36.3 -6.2 20 53 A E H > S+ 0 0 8 81,-0.3 4,-2.4 2,-0.2 5,-0.1 0.907 113.7 47.7 -67.8 -38.9 51.0 34.1 -3.6 21 54 A S H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 110.7 52.8 -66.1 -39.8 54.4 35.2 -4.9 22 55 A A H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.896 109.1 49.8 -61.7 -40.7 53.3 38.8 -4.8 23 56 A H H X S+ 0 0 33 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.933 109.0 51.1 -64.4 -45.5 52.2 38.4 -1.2 24 57 A R H X S+ 0 0 124 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.915 111.6 47.4 -57.9 -43.9 55.6 36.8 -0.2 25 58 A L H X S+ 0 0 41 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.879 109.2 55.6 -64.5 -37.3 57.4 39.8 -1.8 26 59 A A H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.898 108.1 47.3 -61.4 -43.4 55.0 42.1 -0.0 27 60 A V H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.933 113.5 48.8 -65.4 -43.7 56.0 40.6 3.3 28 61 A R H X S+ 0 0 104 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.955 112.9 45.7 -60.5 -53.6 59.7 40.8 2.5 29 62 A F H <>S+ 0 0 96 -4,-3.0 5,-2.6 1,-0.2 4,-0.4 0.891 114.2 49.2 -57.8 -41.5 59.6 44.4 1.4 30 63 A T H ><5S+ 0 0 6 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 0.923 109.8 50.7 -65.6 -42.9 57.5 45.4 4.4 31 64 A S H 3<5S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 112.0 48.6 -64.6 -28.7 59.8 43.6 6.8 32 65 A L T 3<5S- 0 0 126 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.458 114.5-118.1 -89.5 -3.0 62.8 45.5 5.2 33 66 A G T < 5 + 0 0 16 -3,-1.2 2,-2.1 -4,-0.4 -3,-0.2 0.676 60.3 152.4 75.4 15.9 61.0 48.8 5.4 34 67 A L < + 0 0 94 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.558 31.0 130.8 -80.1 79.8 61.0 49.3 1.6 35 68 A L - 0 0 25 -2,-2.1 2,-0.2 -3,-0.1 3,-0.1 -0.940 65.6 -99.0-134.0 153.8 57.8 51.4 1.8 36 69 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.513 55.5 -94.3 -71.6 138.3 56.7 54.8 0.3 37 70 A R 0 0 257 -2,-0.2 41,-0.1 1,-0.1 40,-0.0 -0.323 360.0 360.0 -56.7 124.8 57.1 57.6 2.9 38 71 A A 0 0 80 39,-0.3 -1,-0.1 -2,-0.1 41,-0.0 -0.731 360.0 360.0 -90.5 360.0 53.7 58.0 4.7 39 ! 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 40 73 A F 0 0 68 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 130.6 49.9 61.2 7.0 41 74 A Q - 0 0 173 294,-0.0 2,-0.2 1,-0.0 38,-0.0 -0.832 360.0-124.9 -95.2 118.9 50.2 62.7 10.5 42 75 A D - 0 0 43 -2,-0.6 2,-0.2 2,-0.1 15,-0.1 -0.447 27.2-151.2 -65.0 126.2 47.8 61.1 13.0 43 76 A S > - 0 0 33 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.605 28.0-107.8 -96.8 160.1 45.6 63.7 14.6 44 77 A D G > S+ 0 0 140 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.787 114.9 71.2 -55.1 -29.1 44.0 63.4 18.1 45 78 A M G 3 S+ 0 0 29 1,-0.3 308,-2.7 307,-0.1 309,-0.3 0.808 95.6 51.4 -57.7 -33.0 40.7 63.0 16.4 46 79 A L G < S+ 0 0 0 -3,-1.8 -1,-0.3 306,-0.2 -2,-0.2 0.518 84.3 113.3 -85.3 -5.4 41.7 59.5 15.2 47 80 A E < - 0 0 83 -3,-1.5 307,-0.5 -4,-0.4 2,-0.4 -0.452 44.3-175.5 -71.3 137.9 42.8 58.3 18.7 48 81 A V E -A 55 0A 1 7,-2.3 7,-3.0 -2,-0.2 2,-0.6 -0.998 17.4-153.8-137.5 138.1 40.6 55.6 20.3 49 82 A R E +A 54 0A 164 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.942 40.7 124.0-115.3 112.2 40.7 54.0 23.7 50 83 A V E > +A 53 0A 22 3,-2.0 3,-2.2 -2,-0.6 -2,-0.1 -0.969 53.2 33.4-157.0 166.4 39.4 50.4 23.9 51 84 A L T 3 S- 0 0 26 -2,-0.3 167,-0.2 1,-0.3 3,-0.1 0.747 129.6 -61.1 53.6 25.8 40.3 46.9 24.9 52 85 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 166,-0.0 -1,-0.3 0.702 119.1 88.5 76.5 20.7 42.4 48.4 27.7 53 86 A H E < S-A 50 0A 48 -3,-2.2 -3,-2.0 89,-0.0 2,-0.4 -0.953 73.3-117.1-146.4 164.4 44.7 50.2 25.3 54 87 A K E -A 49 0A 69 85,-0.4 2,-0.5 -2,-0.3 -5,-0.2 -0.866 22.5-161.9-102.9 135.5 45.1 53.5 23.3 55 88 A F E -A 48 0A 1 -7,-3.0 -7,-2.3 -2,-0.4 88,-0.2 -0.976 12.4-150.7-118.9 115.5 45.2 53.2 19.5 56 89 A R S S+ 0 0 83 86,-3.1 -10,-0.1 -2,-0.5 -1,-0.1 0.818 86.6 4.5 -55.9 -32.5 46.7 56.3 17.8 57 90 A N S S- 0 0 0 85,-0.4 -10,-0.1 24,-0.1 -1,-0.1 -0.968 73.6-124.4-145.7 157.1 44.4 55.7 14.8 58 91 A P S S+ 0 0 0 0, 0.0 262,-2.9 0, 0.0 2,-0.7 0.306 77.2 101.3 -88.6 11.7 41.7 53.1 14.2 59 92 A V E +b 320 0B 0 20,-0.2 22,-3.3 260,-0.2 23,-0.7 -0.849 47.3 170.3-103.6 114.0 43.0 51.5 11.0 60 93 A G E -bc 321 82B 0 260,-2.4 262,-1.8 -2,-0.7 2,-0.5 -0.718 38.5-104.9-117.9 168.2 44.8 48.2 11.4 61 94 A I E -bc 322 83B 1 21,-1.5 23,-1.0 -2,-0.2 262,-0.2 -0.807 42.2-127.6 -91.5 124.8 46.1 45.4 9.2 62 95 A A > - 0 0 4 260,-1.9 3,-1.1 -2,-0.5 4,-0.4 -0.270 32.6 -85.5 -70.3 158.3 43.8 42.4 9.2 63 96 A A T 3 S+ 0 0 12 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.217 106.8 51.0 -59.7 153.5 45.0 38.9 10.0 64 97 A G T 3 S+ 0 0 11 22,-2.4 3,-0.5 2,-0.1 -1,-0.2 -0.014 88.4 78.3 108.1 -31.7 46.4 36.9 7.1 65 98 A F S < S+ 0 0 8 -3,-1.1 2,-0.6 1,-0.3 3,-0.2 0.943 109.7 24.8 -74.6 -49.1 48.9 39.4 5.6 66 99 A D S > S+ 0 0 1 18,-0.4 20,-1.6 -4,-0.4 3,-0.7 -0.725 75.2 163.3-115.3 77.4 51.5 38.7 8.2 67 100 A K T 3 S+ 0 0 20 -2,-0.6 -1,-0.2 -3,-0.5 20,-0.2 0.814 76.2 37.4 -65.2 -32.4 50.6 35.2 9.3 68 101 A H T 3 S- 0 0 22 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.252 111.4-108.0-108.5 13.1 54.0 34.4 10.9 69 102 A G S < S+ 0 0 4 -3,-0.7 3,-0.1 17,-0.1 -2,-0.1 0.885 74.8 133.1 65.1 42.5 54.8 37.8 12.5 70 103 A E S S+ 0 0 81 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.592 71.0 32.8 -98.7 -14.3 57.6 38.7 10.1 71 104 A A S > S+ 0 0 2 1,-0.1 4,-2.0 2,-0.1 5,-0.2 0.052 70.3 127.7-134.2 30.7 56.7 42.3 9.3 72 105 A V H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.917 79.6 44.1 -53.9 -52.2 55.2 43.8 12.4 73 106 A D H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 112.0 53.1 -63.8 -38.3 57.4 46.9 12.5 74 107 A G H > S+ 0 0 7 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.840 106.6 54.3 -65.1 -32.6 57.2 47.5 8.8 75 108 A L H X>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 4,-0.5 0.878 106.7 49.4 -69.8 -37.8 53.4 47.5 9.1 76 109 A Y H ><5S+ 0 0 20 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.898 108.6 54.8 -65.9 -37.4 53.4 50.2 11.8 77 110 A K H 3<5S+ 0 0 127 -4,-2.0 -39,-0.3 1,-0.3 -1,-0.2 0.793 98.2 63.2 -64.3 -26.8 55.7 52.1 9.5 78 111 A M H 3<5S- 0 0 11 -4,-1.0 -1,-0.3 -3,-0.1 257,-0.2 0.697 126.7-100.4 -71.0 -18.3 53.1 51.8 6.8 79 112 A G T <<5 + 0 0 11 -3,-1.4 -20,-0.2 -4,-0.5 -3,-0.2 0.422 68.4 152.4 114.8 -0.3 50.8 53.8 9.1 80 113 A F < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -20,-0.2 -0.392 41.3-145.3 -66.5 138.2 48.6 51.2 10.7 81 114 A G S S+ 0 0 0 -22,-3.3 -25,-0.4 1,-0.2 2,-0.3 0.682 83.7 4.5 -75.1 -21.5 47.2 52.0 14.2 82 115 A F E -c 60 0B 0 -23,-0.7 -21,-1.5 61,-0.2 2,-0.4 -0.976 69.5-138.0-159.9 154.8 47.5 48.4 15.2 83 116 A V E -cd 61 145B 0 61,-1.9 63,-3.5 -2,-0.3 2,-0.5 -0.958 8.6-166.7-122.9 138.0 48.8 45.2 13.8 84 117 A E E - d 0 146B 1 -23,-1.0 -18,-0.4 -2,-0.4 -19,-0.2 -0.985 10.4-166.4-124.3 121.4 47.3 41.7 14.0 85 118 A I E - d 0 147B 0 61,-2.4 63,-3.1 -2,-0.5 -18,-0.3 -0.644 32.9 -7.3-102.1 164.7 49.4 38.7 13.0 86 119 A G E - 0 0 0 -20,-1.6 -22,-2.4 1,-0.3 -20,-0.2 -0.621 34.5-132.3 110.6-171.5 48.2 35.1 12.3 87 120 A S E - 0 0 5 61,-0.5 2,-0.4 -24,-0.2 -1,-0.3 0.400 54.9-175.4 -68.8 145.2 46.4 33.0 12.2 88 121 A V E - d 0 149B 1 60,-2.1 62,-2.9 -3,-0.2 30,-0.1 -0.937 10.2-153.1-113.6 133.1 49.0 30.9 13.9 89 122 A T - 0 0 0 -2,-0.4 32,-1.1 60,-0.2 62,-0.2 -0.696 26.1-113.6-102.2 156.8 48.5 27.2 14.5 90 123 A P S S+ 0 0 8 0, 0.0 31,-1.4 0, 0.0 32,-0.6 0.960 102.0 29.4 -52.4 -58.5 50.1 25.1 17.4 91 124 A K S S- 0 0 131 29,-0.2 29,-0.3 30,-0.1 -2,-0.1 -0.710 101.0 -94.7-101.9 154.6 52.3 23.0 15.2 92 125 A P + 0 0 92 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.353 48.4 174.4 -65.3 148.2 53.7 24.1 11.8 93 126 A Q B -J 118 0C 36 25,-2.1 25,-2.5 23,-0.1 27,-0.1 -0.979 34.3-134.7-154.9 148.6 51.7 23.1 8.8 94 127 A E - 0 0 174 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 0.701 37.7-145.5 -79.4 -22.2 51.9 23.8 5.0 95 128 A G - 0 0 29 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.458 47.6 -20.8 86.7-164.8 48.3 24.6 4.3 96 129 A N S S- 0 0 45 18,-3.1 4,-0.1 17,-0.3 17,-0.1 -0.359 76.6 -92.3 -79.6 159.5 46.5 23.7 1.0 97 130 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.318 64.0 -63.5 -67.8 153.5 48.4 23.0 -2.3 98 131 A R S S+ 0 0 142 2,-0.1 2,-0.1 1,-0.0 16,-0.0 -0.581 109.5 53.1 -87.2 150.4 48.9 25.9 -4.7 99 132 A P + 0 0 85 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.455 67.0 140.3 -74.6 146.6 47.3 27.8 -6.3 100 133 A R + 0 0 17 1,-0.2 13,-3.4 -2,-0.1 2,-0.3 0.206 54.9 59.4-139.8 12.5 45.3 28.8 -3.3 101 134 A V E -K 112 0D 17 11,-0.3 2,-0.4 12,-0.1 -81,-0.3 -0.987 61.4-173.4-144.7 134.5 44.8 32.6 -3.7 102 135 A F E -K 111 0D 16 9,-3.2 9,-2.3 -2,-0.3 2,-0.3 -0.990 17.4-135.9-137.0 141.9 43.1 34.3 -6.6 103 136 A R E -K 110 0D 43 -2,-0.4 161,-0.3 7,-0.2 7,-0.2 -0.748 8.0-169.0 -95.2 140.4 42.6 37.9 -7.8 104 137 A L E >>> +K 109 0D 0 5,-2.6 3,-1.9 -2,-0.3 5,-1.9 -0.705 13.4 174.5-125.6 73.7 39.2 39.1 -9.1 105 138 A P G >45S+ 0 0 73 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.853 75.3 58.1 -47.7 -46.6 40.4 42.5 -10.5 106 139 A E G 345S+ 0 0 132 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.693 115.6 36.5 -63.0 -18.1 37.0 43.3 -12.0 107 140 A D G <45S- 0 0 17 -3,-1.9 -1,-0.2 2,-0.2 167,-0.2 0.416 103.7-123.7-113.4 -1.4 35.4 43.0 -8.5 108 141 A Q T <<5S+ 0 0 65 -3,-0.9 166,-1.8 -4,-0.8 2,-0.3 0.936 76.1 120.2 54.3 45.5 38.3 44.5 -6.5 109 142 A A E < -KL 104 273D 0 -5,-1.9 -5,-2.6 164,-0.2 2,-0.3 -0.843 52.1-151.7-134.8 170.6 38.1 41.2 -4.6 110 143 A V E -KL 103 272D 15 162,-1.2 162,-2.8 -2,-0.3 2,-0.4 -0.969 4.0-154.8-141.8 151.3 40.2 38.2 -3.7 111 144 A I E +KL 102 271D 0 -9,-2.3 -9,-3.2 -2,-0.3 2,-0.3 -0.999 20.7 178.4-128.1 130.8 39.4 34.5 -3.0 112 145 A N E +KL 101 270D 33 158,-1.8 158,-2.7 -2,-0.4 -11,-0.3 -0.982 26.7 176.8-136.9 149.0 41.8 32.5 -0.9 113 146 A R + 0 0 55 -13,-3.4 -17,-0.3 -2,-0.3 -12,-0.1 -0.328 27.1 147.7-141.8 50.9 42.0 29.0 0.5 114 147 A Y - 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0 0 100 -3,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.744 61.5 -72.0 55.4 27.5 23.8 46.6 23.4 293 326 A G T 3 S- 0 0 22 1,-0.1 4,-2.2 32,-0.1 -1,-0.2 -0.958 84.2-101.6-151.5 167.7 38.3 54.4 1.8 306 339 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 30,-0.2 5,-0.2 0.880 121.9 54.4 -60.4 -37.3 37.5 56.8 4.7 307 340 A Q H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 106.4 50.4 -63.4 -43.8 33.8 56.3 3.9 308 341 A D H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 113.3 46.8 -59.4 -44.3 34.0 52.5 4.2 309 342 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.944 113.0 47.7 -63.4 -48.5 35.8 52.9 7.5 310 343 A L H X S+ 0 0 5 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.871 106.2 57.6 -63.2 -37.1 33.3 55.5 8.8 311 344 A E H X S+ 0 0 68 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.916 110.5 44.3 -61.3 -39.0 30.3 53.4 7.8 312 345 A K H X>S+ 0 0 0 -4,-1.5 5,-2.6 2,-0.2 4,-0.6 0.889 113.5 50.3 -71.4 -38.0 31.6 50.5 9.9 313 346 A I H ><5S+ 0 0 0 -4,-2.2 45,-2.8 3,-0.2 3,-1.4 0.953 111.8 47.1 -64.0 -48.0 32.4 52.8 12.8 314 347 A R H 3<5S+ 0 0 48 -4,-3.3 46,-1.6 1,-0.3 47,-0.6 0.815 108.2 58.0 -62.8 -28.5 28.9 54.4 12.7 315 348 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.3 -27,-0.2 0.644 137.7 -78.8 -75.4 -15.7 27.5 50.8 12.5 316 349 A G T <<5S+ 0 0 1 -3,-1.4 -19,-0.4 -4,-0.6 2,-0.3 0.406 84.1 135.8 135.1 -2.0 29.2 50.0 15.8 317 350 A A < - 0 0 0 -5,-2.6 -1,-0.3 1,-0.2 41,-0.2 -0.597 32.7-169.0 -80.4 134.5 32.9 49.3 15.1 318 351 A S S S+ 0 0 14 -21,-2.6 2,-0.3 -2,-0.3 -20,-0.2 0.708 81.7 12.1 -88.4 -24.7 35.4 50.9 17.6 319 352 A L E S- i 0 298B 2 -22,-1.4 -20,-3.2 -7,-0.1 2,-0.3 -0.953 70.9-152.0-145.6 158.9 38.3 50.0 15.2 320 353 A V E -bi 59 299B 0 -262,-2.9 -260,-2.4 -2,-0.3 2,-0.3 -0.901 4.2-161.2-132.7 162.8 38.5 48.7 11.6 321 354 A Q E -bi 60 300B 0 -22,-1.9 -20,-0.7 -2,-0.3 2,-0.3 -0.933 3.8-167.3-137.8 161.1 41.0 46.6 9.6 322 355 A L E +b 61 0B 3 -262,-1.8 -260,-1.9 -2,-0.3 -18,-0.1 -0.978 21.4 152.2-147.6 155.6 41.8 46.1 6.0 323 356 A Y S >> S+ 0 0 53 -2,-0.3 3,-1.5 -20,-0.2 4,-1.1 0.281 72.8 53.9-144.5 -66.2 43.8 43.7 3.9 324 357 A T H 3> S+ 0 0 16 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.838 103.4 59.1 -49.1 -41.7 42.4 43.2 0.3 325 358 A A H >> S+ 0 0 10 -22,-0.4 4,-2.9 1,-0.3 3,-0.6 0.866 101.6 56.5 -58.0 -34.8 42.5 47.0 -0.4 326 359 A L H <> S+ 0 0 10 -3,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.882 101.3 57.0 -63.8 -36.8 46.2 46.9 0.3 327 360 A T H 3< S+ 0 0 33 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.733 116.9 33.8 -68.9 -20.4 46.7 44.2 -2.4 328 361 A F H << S+ 0 0 17 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.833 131.9 25.5-100.6 -40.9 45.1 46.5 -5.0 329 362 A W H < S- 0 0 67 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.602 96.9-141.4-101.0 -15.3 46.2 50.0 -4.0 330 363 A G >< - 0 0 0 -4,-1.9 3,-2.2 -5,-0.5 4,-0.3 -0.119 50.0 -34.7 80.0 178.6 49.4 49.3 -2.1 331 364 A P T >> S+ 0 0 24 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.741 124.5 70.8 -43.5 -38.9 50.8 51.0 1.1 332 365 A P H 3> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.747 81.3 76.0 -57.7 -21.4 49.4 54.4 0.2 333 366 A V H <> S+ 0 0 4 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.826 86.6 61.3 -60.8 -29.9 45.9 53.2 0.8 334 367 A V H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.954 107.4 41.7 -62.2 -49.8 46.5 53.4 4.6 335 368 A G H X S+ 0 0 15 -4,-0.6 4,-2.7 -257,-0.2 -1,-0.2 0.882 113.5 55.6 -64.8 -36.1 47.2 57.1 4.6 336 369 A K H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.937 107.6 47.2 -61.1 -49.3 44.3 57.6 2.2 337 370 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.923 114.4 47.1 -59.2 -45.7 41.8 55.9 4.5 338 371 A K H X S+ 0 0 6 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.907 113.0 48.3 -64.2 -42.8 43.0 57.9 7.5 339 372 A R H X S+ 0 0 112 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.934 114.9 44.5 -63.5 -47.1 42.9 61.2 5.7 340 373 A E H X S+ 0 0 61 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.881 112.0 53.4 -65.6 -38.0 39.4 60.6 4.3 341 374 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.921 108.8 48.6 -63.1 -45.5 38.1 59.4 7.6 342 375 A E H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.927 112.3 49.1 -60.8 -45.0 39.3 62.5 9.4 343 376 A A H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.901 112.3 47.8 -61.8 -43.2 37.8 64.7 6.8 344 377 A L H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.885 107.5 55.5 -66.3 -40.1 34.4 62.9 7.0 345 378 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.934 112.0 44.5 -57.8 -44.9 34.4 63.0 10.8 346 379 A K H ><5S+ 0 0 120 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.939 112.0 51.3 -64.1 -48.9 34.7 66.8 10.6 347 380 A E H 3<5S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 111.3 48.7 -59.1 -32.2 32.2 67.2 7.9 348 381 A Q T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.289 117.4-109.5 -94.5 10.9 29.6 65.1 9.8 349 382 A G T < 5 + 0 0 69 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.657 65.9 146.2 74.8 17.4 30.1 67.0 13.1 350 383 A F < - 0 0 33 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.715 45.8-146.8 -88.5 136.9 31.9 64.3 15.1 351 384 A G S S- 0 0 56 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.771 76.2 -35.9 -70.4 -24.1 34.5 65.5 17.6 352 385 A G S >> S- 0 0 7 -7,-0.1 4,-0.9 1,-0.1 3,-0.7 -0.974 76.1 -69.4-179.2 177.9 36.5 62.4 16.9 353 386 A V H >> S+ 0 0 0 -308,-2.7 3,-1.1 -2,-0.3 4,-1.1 0.895 123.8 59.5 -52.1 -46.2 36.3 58.7 16.1 354 387 A T H >4 S+ 0 0 84 -307,-0.5 3,-0.5 -309,-0.3 -1,-0.2 0.864 101.8 54.0 -52.6 -40.3 35.0 57.8 19.6 355 388 A D H <4 S+ 0 0 89 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.773 107.6 51.2 -66.6 -27.4 32.0 60.1 19.0 356 389 A A H X< S+ 0 0 0 -3,-1.1 3,-2.3 -4,-0.9 4,-0.3 0.651 76.9 117.3 -86.3 -17.6 31.0 58.3 15.8 357 390 A I T << S- 0 0 20 -4,-1.1 -43,-0.2 -3,-0.5 -39,-0.1 -0.343 97.1 -8.0 -57.5 116.1 31.1 54.7 17.2 358 391 A G T >> S+ 0 0 0 -45,-2.8 3,-1.7 -2,-0.2 4,-0.5 0.547 88.5 143.8 74.6 8.8 27.6 53.3 16.9 359 392 A A H X> + 0 0 10 -3,-2.3 3,-1.5 1,-0.3 4,-0.6 0.809 63.3 62.3 -49.2 -39.1 26.2 56.7 15.8 360 393 A D H >4 S+ 0 0 44 -46,-1.6 3,-0.6 -4,-0.3 -1,-0.3 0.811 98.3 57.3 -59.3 -30.9 23.7 55.1 13.4 361 394 A H H <4 S+ 0 0 69 -3,-1.7 -1,-0.3 -47,-0.6 -2,-0.2 0.651 106.2 50.5 -75.1 -14.5 22.0 53.3 16.3 362 395 A R H << 0 0 145 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.484 360.0 360.0-102.2 -5.0 21.3 56.6 18.0 363 396 A R << 0 0 229 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 -0.212 360.0 360.0 -93.2 360.0 19.7 58.5 15.1