==== 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 3KVL . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.MCLEAN,Y.ZHANG . 359 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 68.8 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 . 9 2.5 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 . 112 31.2 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 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 37 A F >> 0 0 159 0, 0.0 5,-2.2 0, 0.0 4,-1.9 0.000 360.0 360.0 360.0 -40.1 -5.9 22.4 -8.9 2 38 A Y T 4> + 0 0 63 3,-0.2 5,-2.0 2,-0.2 325,-0.1 0.938 360.0 43.8 -67.9 -48.3 -5.3 25.6 -7.0 3 39 A A T 45S+ 0 0 47 1,-0.2 -1,-0.2 323,-0.2 324,-0.1 0.803 125.7 32.4 -69.7 -30.0 -1.7 25.9 -7.9 4 40 A E T 45S+ 0 0 147 322,-0.1 -1,-0.2 3,-0.1 -2,-0.2 0.733 135.7 3.6-100.3 -26.9 -2.2 25.0 -11.6 5 41 A H T X5S+ 0 0 99 -4,-1.9 4,-1.7 3,-0.1 -3,-0.2 0.741 120.0 44.6-130.2 -56.7 -5.6 26.4 -12.5 6 42 A L H > S+ 0 0 62 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.866 115.1 47.1 -60.6 -35.3 -3.5 31.5 -12.0 9 45 A T H < S+ 0 0 92 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.867 114.4 46.6 -73.4 -37.8 -7.0 32.1 -13.5 10 46 A L H >X S+ 0 0 45 -4,-2.8 4,-2.5 1,-0.2 3,-2.1 0.943 109.4 52.1 -67.9 -49.6 -7.9 34.3 -10.5 11 47 A Q H 3< S+ 0 0 38 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 104.8 59.0 -61.7 -22.7 -4.7 36.4 -10.6 12 48 A G T 3< S+ 0 0 65 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.606 113.8 36.7 -80.7 -11.2 -5.3 37.0 -14.3 13 49 A L T <4 S+ 0 0 142 -3,-2.1 2,-0.4 -4,-0.3 -2,-0.2 0.791 114.5 47.8-106.9 -42.1 -8.7 38.6 -13.5 14 50 A L S < S- 0 0 53 -4,-2.5 -1,-0.2 2,-0.0 0, 0.0 -0.841 77.0-121.5-109.0 140.2 -8.2 40.6 -10.3 15 51 A D > - 0 0 82 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.363 43.7-101.3 -63.9 157.8 -5.5 43.0 -9.2 16 52 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.823 119.4 50.5 -61.7 -34.6 -3.8 41.7 -6.0 17 53 A E H > S+ 0 0 8 81,-0.3 4,-2.6 2,-0.2 5,-0.2 0.926 112.5 46.5 -69.0 -42.6 -5.6 44.1 -3.6 18 54 A S H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 113.2 50.4 -62.1 -41.5 -9.0 43.1 -4.9 19 55 A A H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.900 110.2 50.4 -63.0 -40.9 -8.0 39.5 -4.8 20 56 A H H X S+ 0 0 27 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.936 110.0 49.2 -61.6 -48.1 -6.9 39.9 -1.2 21 57 A R H X S+ 0 0 163 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.906 112.9 47.6 -58.6 -42.9 -10.2 41.6 -0.2 22 58 A L H X S+ 0 0 72 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.884 110.2 52.7 -66.5 -38.7 -12.1 38.8 -1.9 23 59 A A H X S+ 0 0 38 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 108.9 49.2 -64.9 -40.4 -10.0 36.1 -0.2 24 60 A V H X S+ 0 0 14 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.931 113.0 48.0 -63.5 -43.9 -10.6 37.7 3.3 25 61 A R H X S+ 0 0 147 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.950 112.6 46.9 -61.9 -51.2 -14.3 37.8 2.5 26 62 A F H <>S+ 0 0 101 -4,-2.9 5,-2.7 1,-0.2 6,-0.4 0.874 115.2 47.5 -58.5 -39.4 -14.4 34.1 1.3 27 63 A T H ><5S+ 0 0 7 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.917 110.6 49.7 -69.8 -43.9 -12.4 33.0 4.3 28 64 A S H 3<5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.831 110.3 51.4 -66.7 -31.7 -14.5 34.9 6.9 29 65 A L T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.470 112.7-123.0 -82.1 -3.2 -17.7 33.5 5.4 30 66 A G T < 5 + 0 0 25 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.873 59.8 149.4 65.7 38.5 -16.1 30.0 5.7 31 67 A L < + 0 0 97 -5,-2.7 -4,-0.1 -6,-0.1 -1,-0.1 0.707 44.3 87.6 -79.2 -18.4 -16.5 29.3 2.0 32 68 A L S S- 0 0 26 -6,-0.4 2,-0.1 1,-0.1 3,-0.0 -0.372 89.7 -97.1 -80.0 157.3 -13.5 27.0 1.8 33 69 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.442 45.7-100.1 -68.3 146.7 -13.6 23.3 2.6 34 70 A R - 0 0 204 1,-0.1 41,-0.2 -2,-0.1 40,-0.1 -0.595 52.4 -98.3 -69.3 125.0 -12.5 22.3 6.1 35 71 A A - 0 0 40 39,-1.8 -1,-0.1 -2,-0.4 41,-0.1 -0.115 27.4-151.7 -51.2 135.9 -8.9 21.2 5.8 36 72 A R + 0 0 238 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.881 65.8 99.6 -77.4 -40.7 -8.5 17.4 5.6 37 73 A F - 0 0 49 1,-0.1 2,-0.5 2,-0.0 296,-0.0 -0.248 62.9-151.8 -54.2 123.5 -5.0 17.1 7.1 38 74 A Q - 0 0 167 294,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.885 20.2-118.2-100.2 126.8 -5.3 16.1 10.8 39 75 A D - 0 0 31 -2,-0.5 2,-0.2 1,-0.1 15,-0.1 -0.407 25.9-143.9 -67.3 131.1 -2.4 17.4 12.9 40 76 A S > - 0 0 33 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.539 28.1-106.1 -89.0 161.6 -0.3 14.7 14.5 41 77 A D G > S+ 0 0 147 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.743 114.9 74.2 -57.4 -24.0 1.1 15.0 18.0 42 78 A M G 3 S+ 0 0 28 1,-0.2 308,-2.6 307,-0.1 309,-0.3 0.761 93.7 51.7 -59.1 -27.7 4.5 15.5 16.3 43 79 A L G < S+ 0 0 0 -3,-2.0 -1,-0.2 306,-0.2 -2,-0.2 0.546 81.8 113.8 -92.8 -7.9 3.5 19.0 15.3 44 80 A E < - 0 0 56 -3,-1.2 307,-0.4 -4,-0.3 2,-0.4 -0.432 44.1-172.3 -69.8 135.8 2.5 20.2 18.7 45 81 A V E -A 52 0A 2 7,-2.6 7,-3.0 -2,-0.2 2,-0.6 -0.991 14.7-154.7-129.2 136.7 4.6 23.0 20.2 46 82 A R E +A 51 0A 172 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.945 42.0 122.0-112.6 115.0 4.5 24.5 23.7 47 83 A V E > +A 50 0A 21 3,-2.1 3,-2.0 -2,-0.6 -2,-0.1 -0.977 52.5 34.5-162.9 160.3 5.9 28.0 23.9 48 84 A L T 3 S- 0 0 25 -2,-0.3 167,-0.2 1,-0.3 3,-0.1 0.751 129.1 -61.4 58.1 23.6 4.9 31.6 24.9 49 85 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 166,-0.0 -1,-0.3 0.631 118.7 87.7 82.1 13.6 2.8 30.1 27.7 50 86 A H E < S-A 47 0A 55 -3,-2.0 -3,-2.1 89,-0.0 2,-0.4 -0.928 74.4-114.7-141.0 162.5 0.5 28.2 25.3 51 87 A K E -A 46 0A 61 85,-0.3 2,-0.5 -2,-0.3 -5,-0.2 -0.841 23.3-162.8 -93.9 136.0 0.0 25.0 23.3 52 88 A F E -A 45 0A 1 -7,-3.0 -7,-2.6 -2,-0.4 88,-0.2 -0.979 11.3-153.1-118.5 117.6 0.1 25.2 19.5 53 89 A R S S+ 0 0 102 86,-3.0 -10,-0.2 -2,-0.5 -1,-0.1 0.797 85.4 6.6 -66.4 -27.2 -1.4 22.2 17.8 54 90 A N S S- 0 0 0 85,-0.4 -1,-0.1 24,-0.1 -10,-0.1 -0.976 73.2-125.3-147.8 160.3 0.8 22.8 14.8 55 91 A P S S+ 0 0 0 0, 0.0 262,-3.3 0, 0.0 2,-0.7 0.269 77.1 100.6 -89.7 11.0 3.7 25.3 14.2 56 92 A V E +b 317 0B 0 20,-0.2 22,-2.7 260,-0.2 23,-0.7 -0.855 47.5 172.8-108.0 109.6 2.3 27.0 11.1 57 93 A G E -bc 318 79B 0 260,-2.9 262,-1.9 -2,-0.7 2,-0.5 -0.694 37.3-107.9-111.1 163.3 0.6 30.3 11.5 58 94 A I E -bc 319 80B 0 21,-1.5 23,-1.1 -2,-0.2 262,-0.2 -0.798 42.9-126.4 -85.9 127.3 -0.8 33.0 9.2 59 95 A A > - 0 0 4 260,-2.1 3,-1.1 -2,-0.5 4,-0.4 -0.288 31.5 -85.4 -72.4 158.2 1.5 36.0 9.2 60 96 A A T 3 S+ 0 0 14 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.222 106.6 50.3 -57.1 151.2 0.3 39.5 10.0 61 97 A G T 3 S+ 0 0 11 22,-2.4 3,-0.5 2,-0.1 -1,-0.2 -0.022 89.5 77.6 108.5 -30.4 -1.1 41.5 7.0 62 98 A F S < S+ 0 0 10 -3,-1.1 2,-0.7 1,-0.3 3,-0.2 0.961 109.0 25.8 -75.3 -51.9 -3.6 39.0 5.6 63 99 A D S > S+ 0 0 1 18,-0.4 20,-1.7 -4,-0.4 3,-0.7 -0.725 75.7 164.4-109.2 79.5 -6.3 39.6 8.2 64 100 A K T 3 S+ 0 0 21 -2,-0.7 -1,-0.2 -3,-0.5 20,-0.2 0.802 75.4 36.5 -67.5 -29.4 -5.4 43.2 9.2 65 101 A H T 3 S- 0 0 19 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.244 111.2-106.6-114.6 11.8 -8.7 43.9 11.0 66 102 A G S < S+ 0 0 4 -3,-0.7 3,-0.1 17,-0.1 -2,-0.1 0.855 77.1 129.9 71.6 36.8 -9.5 40.6 12.6 67 103 A E S S+ 0 0 79 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.611 70.6 36.2 -96.3 -16.3 -12.3 39.6 10.2 68 104 A A S > S+ 0 0 1 1,-0.1 4,-2.1 2,-0.1 5,-0.2 0.107 71.2 124.1-131.1 20.7 -11.4 36.1 9.2 69 105 A V H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.894 79.3 43.9 -56.7 -48.5 -9.9 34.5 12.3 70 106 A D H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 112.2 53.2 -68.5 -37.1 -12.2 31.5 12.5 71 107 A G H > S+ 0 0 9 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.857 106.6 54.5 -62.8 -34.1 -11.9 30.8 8.8 72 108 A L H <>S+ 0 0 0 -4,-2.1 5,-1.5 2,-0.2 4,-0.5 0.876 106.3 49.3 -70.7 -37.0 -8.1 30.8 9.1 73 109 A Y H ><5S+ 0 0 21 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.892 108.7 54.9 -64.8 -37.3 -8.2 28.1 11.8 74 110 A K H 3<5S+ 0 0 77 -4,-1.9 -39,-1.8 1,-0.3 -2,-0.2 0.818 99.1 62.0 -62.0 -30.2 -10.5 26.2 9.5 75 111 A M T 3<5S- 0 0 10 -4,-1.2 -1,-0.3 -41,-0.2 257,-0.2 0.664 126.4-101.1 -72.7 -16.5 -7.8 26.5 6.8 76 112 A G T < 5 + 0 0 10 -3,-1.2 -20,-0.2 -4,-0.5 -3,-0.2 0.447 68.7 150.3 113.7 2.0 -5.5 24.6 9.1 77 113 A F < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -20,-0.2 -0.443 42.0-145.0 -67.4 138.4 -3.3 27.2 10.7 78 114 A G S S+ 0 0 0 -22,-2.7 -25,-0.4 1,-0.2 2,-0.3 0.651 83.1 7.1 -80.2 -17.3 -2.1 26.3 14.1 79 115 A F E -c 57 0B 0 -23,-0.7 -21,-1.5 61,-0.2 2,-0.4 -0.975 69.3-139.0-157.8 158.1 -2.3 30.0 15.2 80 116 A V E -cd 58 142B 0 61,-1.9 63,-3.5 -2,-0.3 2,-0.5 -0.963 8.2-166.7-122.6 134.8 -3.6 33.2 13.8 81 117 A E E - d 0 143B 0 -23,-1.1 -18,-0.4 -2,-0.4 2,-0.2 -0.989 11.0-165.9-117.6 125.7 -2.0 36.7 14.0 82 118 A I E - d 0 144B 0 61,-2.4 63,-2.8 -2,-0.5 -18,-0.2 -0.682 32.3 -8.9-103.9 163.8 -4.2 39.7 13.0 83 119 A G E - 0 0 0 -20,-1.7 -22,-2.4 1,-0.3 -20,-0.1 -0.616 35.1-130.2 111.6-174.4 -3.0 43.2 12.3 84 120 A S E - 0 0 5 61,-0.5 2,-0.4 -24,-0.2 -1,-0.3 0.365 55.1-174.9 -71.7 143.2 -1.2 45.4 12.2 85 121 A V E - d 0 146B 1 60,-2.3 62,-3.1 -3,-0.2 30,-0.1 -0.922 9.0-154.5-108.8 133.5 -3.8 47.5 14.0 86 122 A T - 0 0 0 -2,-0.4 32,-1.0 60,-0.2 62,-0.2 -0.695 26.3-113.7-103.0 159.2 -3.3 51.2 14.5 87 123 A P S S+ 0 0 9 0, 0.0 31,-1.5 0, 0.0 32,-0.6 0.963 101.4 30.6 -57.6 -56.6 -5.0 53.2 17.4 88 124 A K S S- 0 0 132 29,-0.2 29,-0.3 30,-0.1 -2,-0.1 -0.705 100.6 -95.0 -97.1 154.0 -7.2 55.4 15.1 89 125 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.352 49.2 174.9 -59.2 145.4 -8.6 54.2 11.8 90 126 A Q B -J 115 0C 36 25,-2.1 25,-2.3 23,-0.1 27,-0.1 -0.983 34.5-134.9-155.5 154.9 -6.6 55.2 8.7 91 127 A E - 0 0 177 -2,-0.3 23,-0.2 1,-0.2 2,-0.1 0.708 37.5-145.2 -85.0 -22.0 -6.7 54.5 5.0 92 128 A G - 0 0 26 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.384 47.6 -20.4 81.2-168.3 -3.1 53.7 4.3 93 129 A N S S- 0 0 43 18,-3.2 4,-0.1 17,-0.3 17,-0.0 -0.271 75.3 -93.9 -73.5 157.3 -1.4 54.6 1.0 94 130 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.309 64.1 -60.6 -62.7 153.6 -3.1 55.5 -2.3 95 131 A R S S+ 0 0 135 2,-0.1 2,-0.1 -78,-0.0 16,-0.0 -0.563 109.3 50.2 -88.3 153.9 -3.6 52.7 -4.8 96 132 A P + 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.513 66.8 141.5 -76.6 151.8 -2.1 50.8 -6.4 97 133 A R + 0 0 17 1,-0.2 13,-3.3 -2,-0.1 2,-0.3 0.229 54.0 62.7-142.9 10.5 -0.1 49.6 -3.3 98 134 A V E -K 109 0D 16 11,-0.2 2,-0.4 12,-0.1 -81,-0.3 -0.993 59.0-176.3-141.5 138.0 0.3 45.9 -3.8 99 135 A F E -K 108 0D 15 9,-2.8 9,-2.5 -2,-0.3 2,-0.4 -0.997 17.5-138.4-142.1 134.6 2.2 44.1 -6.7 100 136 A R E -K 107 0D 40 -2,-0.4 161,-0.3 7,-0.2 7,-0.2 -0.742 7.4-168.8 -91.6 140.3 2.7 40.6 -7.8 101 137 A L E >>> +K 106 0D 0 5,-2.9 5,-1.8 -2,-0.4 3,-1.8 -0.729 14.1 173.1-119.5 77.2 6.1 39.3 -9.0 102 138 A P G >45S+ 0 0 67 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.854 74.6 58.7 -59.7 -35.4 5.0 35.9 -10.4 103 139 A E G 345S+ 0 0 127 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.699 116.5 36.1 -63.2 -19.1 8.4 35.1 -12.0 104 140 A D G <45S- 0 0 18 -3,-1.8 -1,-0.2 2,-0.2 167,-0.2 0.402 104.6-124.7-111.5 -2.0 9.9 35.5 -8.5 105 141 A Q T <<5S+ 0 0 56 -3,-0.9 166,-2.0 -4,-0.7 2,-0.3 0.937 74.6 123.1 49.0 49.4 7.1 34.0 -6.5 106 142 A A E < -KL 101 270D 0 -5,-1.8 -5,-2.9 164,-0.2 2,-0.3 -0.877 51.8-150.3-135.5 162.6 7.2 37.3 -4.6 107 143 A V E -KL 100 269D 16 162,-1.1 162,-2.7 -2,-0.3 2,-0.4 -0.974 3.1-156.3-131.3 147.3 5.0 40.3 -3.7 108 144 A I E +KL 99 268D 0 -9,-2.5 -9,-2.8 -2,-0.3 2,-0.4 -0.998 21.1 177.8-118.2 130.8 5.8 43.9 -3.1 109 145 A N E +KL 98 267D 33 158,-1.9 158,-2.6 -2,-0.4 -11,-0.2 -0.983 27.3 175.9-132.7 147.0 3.4 45.9 -0.9 110 146 A R + 0 0 55 -13,-3.3 -17,-0.3 -2,-0.4 -12,-0.1 -0.357 27.8 146.6-136.8 55.5 3.2 49.5 0.4 111 147 A Y - 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0 0 114 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.763 60.1 -71.6 57.9 28.1 21.5 31.9 23.4 290 326 A G T 3 S- 0 0 21 1,-0.1 4,-2.1 32,-0.1 -1,-0.2 -0.964 83.7-100.0-154.6 168.1 7.0 24.1 1.8 303 339 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 30,-0.2 5,-0.2 0.875 122.3 54.0 -61.0 -37.7 7.8 21.7 4.6 304 340 A Q H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 106.6 51.3 -62.9 -43.3 11.5 22.1 3.9 305 341 A D H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 112.9 46.3 -58.7 -43.2 11.2 25.9 4.1 306 342 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.942 112.4 48.8 -65.8 -47.3 9.5 25.5 7.5 307 343 A L H X S+ 0 0 5 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.860 106.3 57.4 -64.9 -33.5 12.0 23.0 8.9 308 344 A E H X S+ 0 0 66 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.915 110.2 43.9 -64.5 -39.3 15.0 25.1 7.8 309 345 A K H X>S+ 0 0 0 -4,-1.5 5,-2.7 2,-0.2 4,-0.7 0.888 114.1 50.5 -70.9 -38.5 13.7 28.0 9.9 310 346 A I H ><5S+ 0 0 0 -4,-2.4 45,-2.8 3,-0.2 3,-1.3 0.954 111.7 46.8 -62.4 -49.1 12.9 25.7 12.8 311 347 A R H 3<5S+ 0 0 69 -4,-3.3 46,-1.9 1,-0.3 47,-0.5 0.823 108.4 57.3 -62.3 -29.3 16.4 24.1 12.7 312 348 A A H 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.3 -27,-0.2 0.646 138.2 -78.1 -75.6 -15.4 17.8 27.7 12.5 313 349 A G T <<5S+ 0 0 1 -3,-1.3 -19,-0.4 -4,-0.7 2,-0.3 0.408 84.1 135.4 136.8 -1.1 16.0 28.5 15.7 314 350 A A < - 0 0 0 -5,-2.7 -1,-0.3 1,-0.1 41,-0.2 -0.601 32.5-168.7 -79.4 134.4 12.3 29.1 15.2 315 351 A S S S+ 0 0 16 -21,-2.4 2,-0.3 -2,-0.3 -20,-0.2 0.727 81.7 13.8 -84.7 -27.4 9.8 27.5 17.6 316 352 A L E S- i 0 295B 1 -22,-1.4 -20,-3.1 -7,-0.1 2,-0.3 -0.949 71.5-151.1-140.8 157.5 7.0 28.5 15.2 317 353 A V E -bi 56 296B 0 -262,-3.3 -260,-2.9 -2,-0.3 2,-0.3 -0.907 4.7-161.0-127.5 161.9 6.7 29.7 11.6 318 354 A Q E -bi 57 297B 0 -22,-2.0 -20,-0.6 -2,-0.3 -18,-0.3 -0.936 3.8-168.5-131.8 160.4 4.3 31.8 9.7 319 355 A L E +b 58 0B 3 -262,-1.9 -260,-2.1 -2,-0.3 -18,-0.1 -0.982 21.5 150.8-142.1 156.4 3.5 32.3 6.0 320 356 A Y S >> S+ 0 0 51 -2,-0.3 3,-1.7 -262,-0.2 4,-0.8 0.296 72.7 53.5-140.2 -62.4 1.5 34.8 3.9 321 357 A T H >> S+ 0 0 16 1,-0.3 3,-0.9 2,-0.2 4,-0.9 0.815 101.4 61.6 -56.5 -36.4 2.8 35.2 0.4 322 358 A A H >>>S+ 0 0 10 -22,-0.4 4,-3.0 1,-0.3 3,-0.7 0.853 99.0 58.9 -56.7 -34.4 2.8 31.5 -0.5 323 359 A L H <>5S+ 0 0 15 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.849 99.4 57.0 -62.7 -34.2 -1.0 31.6 0.1 324 360 A T H <<5S+ 0 0 39 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.718 117.6 32.1 -76.2 -19.3 -1.3 34.2 -2.6 325 361 A F H <<5S+ 0 0 14 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.811 133.2 25.4-100.5 -40.0 0.3 31.9 -5.2 326 362 A W H <5S- 0 0 73 -4,-3.0 -3,-0.2 -5,-0.2 -323,-0.2 0.575 96.6-145.0-105.7 -13.8 -0.7 28.4 -4.2 327 363 A G ><< - 0 0 2 -4,-1.6 3,-2.1 -5,-0.5 4,-0.3 -0.101 49.4 -33.3 76.3-176.6 -3.9 29.1 -2.3 328 364 A P T >> S+ 0 0 34 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.739 123.7 71.2 -51.2 -33.4 -5.3 27.4 0.8 329 365 A P H 3> S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.737 82.3 74.8 -59.8 -18.4 -3.9 23.9 -0.0 330 366 A V H <> S+ 0 0 4 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 0.813 86.4 62.2 -66.5 -26.9 -0.4 25.1 0.8 331 367 A V H <> S+ 0 0 0 -3,-1.6 4,-2.0 -4,-0.3 -1,-0.2 0.970 108.4 39.3 -63.7 -53.2 -1.2 25.0 4.5 332 368 A G H X S+ 0 0 15 -4,-0.6 4,-2.9 -257,-0.2 5,-0.2 0.865 114.1 56.8 -63.6 -34.8 -1.8 21.3 4.6 333 369 A K H X S+ 0 0 57 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.935 106.8 47.7 -62.2 -47.0 1.1 20.8 2.2 334 370 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.915 114.9 46.2 -59.6 -44.0 3.6 22.5 4.5 335 371 A K H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 113.5 47.8 -67.3 -43.5 2.4 20.6 7.5 336 372 A R H X S+ 0 0 138 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.920 115.3 45.0 -63.5 -44.8 2.4 17.2 5.7 337 373 A E H X S+ 0 0 62 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.882 111.5 53.5 -67.2 -37.5 5.9 17.8 4.3 338 374 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.921 108.5 49.2 -63.9 -44.6 7.2 19.1 7.6 339 375 A E H X S+ 0 0 41 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.925 111.9 48.8 -59.2 -45.5 6.0 15.9 9.4 340 376 A A H X S+ 0 0 40 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.899 112.4 47.8 -63.0 -41.8 7.6 13.7 6.8 341 377 A L H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.882 107.5 55.1 -68.7 -39.4 10.9 15.5 7.0 342 378 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.2 0.933 111.5 45.4 -57.9 -45.2 11.0 15.5 10.8 343 379 A K H ><5S+ 0 0 122 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.926 112.0 51.7 -63.5 -45.0 10.7 11.7 10.6 344 380 A E H 3<5S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.0 47.8 -61.3 -33.0 13.3 11.4 7.9 345 381 A Q T 3<5S- 0 0 83 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.286 119.0-105.1-100.5 10.3 15.8 13.4 9.9 346 382 A G T < 5 + 0 0 69 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.595 69.5 142.5 87.4 12.3 15.4 11.6 13.1 347 383 A F < - 0 0 34 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.713 45.2-150.6 -88.4 135.1 13.3 14.1 15.1 348 384 A G S S- 0 0 57 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.758 77.0 -29.0 -72.0 -23.6 10.6 12.9 17.4 349 385 A G S >> S- 0 0 8 -7,-0.1 4,-0.8 1,-0.1 3,-0.6 -0.977 77.0 -73.5-173.8 179.4 8.8 16.1 16.9 350 386 A V H >> S+ 0 0 0 -308,-2.6 3,-1.2 -2,-0.3 4,-1.0 0.887 122.2 60.5 -54.7 -41.8 9.0 19.8 16.1 351 387 A T H >4 S+ 0 0 83 -307,-0.4 3,-0.6 -309,-0.3 -1,-0.2 0.861 100.9 53.4 -58.8 -38.2 10.3 20.6 19.6 352 388 A D H <4 S+ 0 0 89 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.746 108.0 52.1 -67.2 -24.7 13.4 18.4 19.1 353 389 A A H X< S+ 0 0 0 -3,-1.2 3,-2.3 -4,-0.8 4,-0.3 0.638 76.9 116.7 -89.8 -16.6 14.2 20.2 15.9 354 390 A I T << S- 0 0 21 -4,-1.0 -43,-0.2 -3,-0.6 -39,-0.1 -0.365 97.2 -7.9 -60.7 116.3 14.2 23.7 17.2 355 391 A G T > S+ 0 0 0 -45,-2.8 3,-1.9 -2,-0.3 4,-0.5 0.595 88.5 144.1 76.7 11.3 17.6 25.2 16.9 356 392 A A G X + 0 0 16 -3,-2.3 3,-1.2 1,-0.3 -44,-0.1 0.791 62.4 63.6 -57.0 -31.8 19.1 21.8 15.9 357 393 A D G 3 S+ 0 0 64 -46,-1.9 -1,-0.3 -4,-0.3 -45,-0.1 0.792 97.5 57.2 -62.3 -28.3 21.6 23.4 13.4 358 394 A H G < 0 0 73 -3,-1.9 -1,-0.3 -47,-0.5 -2,-0.2 0.638 360.0 360.0 -79.8 -13.5 23.3 25.2 16.3 359 395 A R < 0 0 181 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.1 -0.051 360.0 360.0-104.1 360.0 24.0 21.9 18.1