==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JUL-05 2BX7 . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR A.E.WOLFE,M.HANSEN,S.G.GATTIS,Y.-C.HU,E.JOHANSSON,S.ARENT, . 622 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 4 0.6 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 . 34 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 0 0 2 0 0 2 2 0 6 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 8 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 PARALLEL BRIDGES PER LADDER . 2 2 6 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 . 2 2 2 0 0 0 0 1 1 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 1 A M 0 0 62 0, 0.0 300,-0.7 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -35.6 -15.6 51.3 37.7 2 2 A L + 0 0 5 10,-0.3 9,-0.1 298,-0.2 298,-0.1 0.393 360.0 143.8-101.8 -0.9 -12.5 51.2 35.5 3 3 A N - 0 0 106 10,-0.1 2,-0.4 1,-0.1 298,-0.3 -0.111 31.6-168.0 -40.1 129.3 -10.4 53.8 37.3 4 4 A T E -A 11 0A 12 7,-2.5 7,-2.8 9,-0.1 2,-0.5 -0.976 22.7-150.8-135.3 140.5 -6.8 52.7 37.1 5 5 A T E +A 10 0A 75 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.937 29.2 159.8-109.8 126.1 -3.5 53.6 38.7 6 6 A F E > -A 9 0A 0 3,-2.3 3,-2.0 -2,-0.5 -2,-0.1 -0.969 65.2 -1.8-151.8 135.6 -0.4 53.0 36.6 7 7 A A T 3 S- 0 0 25 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.883 127.8 -62.6 48.2 41.2 3.1 54.4 36.8 8 8 A N T 3 S+ 0 0 168 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.593 115.9 112.1 56.0 20.0 1.8 56.5 39.7 9 9 A A E < -A 6 0A 20 -3,-2.0 -3,-2.3 84,-0.0 2,-0.5 -0.776 66.5-121.6-113.9 159.2 -0.6 58.3 37.4 10 10 A K E -A 5 0A 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.883 26.7-178.2-103.2 131.7 -4.4 58.1 37.3 11 11 A F E -A 4 0A 2 -7,-2.8 -7,-2.5 -2,-0.5 83,-0.1 -0.946 31.2-133.1-122.5 146.7 -6.3 57.0 34.2 12 12 A A S S- 0 0 51 26,-0.4 -10,-0.3 -2,-0.3 26,-0.1 0.773 91.3 -4.5 -68.8 -26.4 -10.1 56.9 33.8 13 13 A N S S- 0 0 11 2,-0.1 -1,-0.2 -10,-0.1 -10,-0.1 -0.969 71.3-112.8-161.3 160.2 -9.9 53.4 32.3 14 14 A P S S+ 0 0 0 0, 0.0 254,-2.6 0, 0.0 2,-0.1 0.613 75.0 115.3 -80.0 -8.3 -7.1 51.0 31.3 15 15 A F E +b 268 0B 0 252,-0.2 24,-1.9 21,-0.2 23,-1.2 -0.368 32.3 153.4 -75.2 134.2 -7.7 51.1 27.5 16 16 A M E -b 269 0B 0 252,-2.1 254,-1.7 22,-0.2 2,-0.2 -0.930 44.9 -97.6-138.8 165.8 -5.3 52.5 25.0 17 17 A N E -b 270 0B 0 22,-0.5 2,-0.3 -2,-0.3 254,-0.2 -0.533 42.1-114.1 -71.0 153.8 -4.4 52.2 21.4 18 18 A A > - 0 0 6 252,-1.9 3,-1.9 -2,-0.2 23,-0.1 -0.738 43.4 -91.8 -84.4 143.9 -1.4 49.9 20.6 19 19 A S T 3 S+ 0 0 17 -2,-0.3 24,-0.2 1,-0.2 23,-0.1 -0.304 114.2 33.0 -58.0 141.5 1.6 51.7 19.1 20 20 A G T 3 S+ 0 0 32 21,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.135 99.3 96.3 95.1 -17.3 1.4 51.8 15.3 21 21 A V S < S- 0 0 23 -3,-1.9 -1,-0.2 1,-0.2 249,-0.1 -0.936 102.4 -21.3-113.7 121.6 -2.4 51.9 15.2 22 22 A H S S+ 0 0 44 -2,-0.5 10,-0.2 1,-0.1 -1,-0.2 0.792 114.5 91.3 56.1 40.9 -4.2 55.2 14.8 23 23 A C + 0 0 0 -3,-0.1 20,-1.8 8,-0.1 -1,-0.1 0.102 43.5 105.1-151.3 24.3 -1.3 57.3 16.1 24 24 A M S S+ 0 0 49 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.898 83.1 29.2 -78.0 -45.0 0.8 58.3 13.0 25 25 A T S > S- 0 0 43 1,-0.1 4,-2.4 48,-0.1 5,-0.2 -0.717 84.5-106.2-113.7 168.5 -0.2 62.0 12.8 26 26 A I H > S+ 0 0 62 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.870 121.9 55.5 -58.4 -42.4 -1.4 64.8 15.1 27 27 A E H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.895 107.5 48.6 -62.2 -41.0 -4.8 64.4 13.7 28 28 A D H > S+ 0 0 38 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.944 112.0 50.0 -59.1 -47.8 -4.8 60.6 14.6 29 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.851 108.3 51.3 -64.0 -34.6 -3.6 61.4 18.1 30 30 A E H X S+ 0 0 99 -4,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.774 105.2 56.7 -75.0 -28.8 -6.3 64.1 18.7 31 31 A E H X S+ 0 0 82 -4,-1.4 4,-1.3 -3,-0.3 -1,-0.2 0.887 109.1 46.5 -66.9 -36.1 -8.9 61.6 17.6 32 32 A L H < S+ 0 0 1 -4,-1.6 5,-0.4 2,-0.2 -2,-0.2 0.910 110.1 52.5 -70.0 -44.4 -7.6 59.3 20.4 33 33 A K H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.0 47.6 -52.2 -45.5 -7.6 62.2 22.9 34 34 A A H < S+ 0 0 83 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.778 102.3 80.7 -71.1 -25.0 -11.2 62.8 21.9 35 35 A S S < S- 0 0 23 -4,-1.3 245,-0.1 -3,-0.1 -3,-0.0 -0.109 97.1-101.5 -72.7 175.5 -12.2 59.1 22.2 36 36 A Q S S+ 0 0 109 243,-0.4 -21,-0.2 -24,-0.0 -1,-0.1 0.381 75.3 133.0 -81.3 3.7 -13.0 57.3 25.5 37 37 A A - 0 0 16 -5,-0.4 -21,-0.2 1,-0.1 -25,-0.1 -0.326 57.8-139.8 -53.6 132.6 -9.5 55.7 25.6 38 38 A G S S- 0 0 9 -23,-1.2 -26,-0.4 1,-0.1 2,-0.3 0.827 80.0 -8.9 -66.1 -34.2 -8.0 56.0 29.0 39 39 A A - 0 0 3 -24,-1.9 -22,-0.5 -28,-0.1 2,-0.3 -0.930 66.0-146.8-149.0 177.3 -4.6 56.8 27.5 40 40 A Y - 0 0 6 55,-0.3 57,-2.2 -2,-0.3 2,-0.3 -0.985 2.7-150.5-150.1 158.9 -2.8 56.8 24.2 41 41 A I B -c 97 0B 0 -2,-0.3 57,-0.2 55,-0.2 -21,-0.2 -0.954 20.5-116.3-129.3 148.9 0.6 56.3 22.7 42 42 A T - 0 0 0 55,-1.7 57,-0.2 -2,-0.3 -18,-0.2 -0.403 41.1 -88.3 -79.1 157.5 2.4 57.6 19.7 43 43 A K - 0 0 17 -20,-1.8 -1,-0.1 -24,-0.2 56,-0.1 -0.390 58.9 -91.5 -51.0 132.9 3.6 55.6 16.7 44 44 A S - 0 0 4 56,-0.1 2,-0.3 -2,-0.1 56,-0.3 -0.284 55.4-152.0 -50.8 130.5 7.1 54.2 17.3 45 45 A S B -d 100 0B 0 54,-1.5 56,-2.6 -3,-0.1 2,-0.3 -0.765 18.1-159.0-115.4 157.7 9.5 56.8 16.0 46 46 A T - 0 0 3 -2,-0.3 30,-1.8 2,-0.3 56,-0.1 -0.763 42.0 -98.6-119.1 171.6 13.0 56.9 14.6 47 47 A L S S+ 0 0 57 -2,-0.3 30,-0.5 28,-0.2 2,-0.3 0.887 108.3 41.1 -60.7 -43.8 15.4 59.9 14.4 48 48 A E S S- 0 0 146 27,-0.2 27,-0.3 28,-0.1 -2,-0.3 -0.777 98.1 -95.8-105.9 150.2 14.4 60.6 10.8 49 49 A K - 0 0 158 25,-0.3 2,-0.4 -2,-0.3 25,-0.2 -0.276 43.7-158.9 -51.3 140.3 11.1 60.5 9.0 50 50 A R B -J 73 0C 70 23,-2.6 23,-1.7 1,-0.1 25,-0.1 -0.998 24.4-156.4-133.2 132.0 10.5 57.1 7.3 51 51 A E - 0 0 178 -2,-0.4 2,-0.1 21,-0.2 -1,-0.1 0.804 41.8-150.6 -68.0 -32.7 8.2 56.2 4.4 52 52 A G - 0 0 19 19,-0.2 18,-0.3 18,-0.2 -1,-0.2 -0.478 36.0 -23.7 87.1-166.0 8.2 52.6 5.5 53 53 A N S S- 0 0 21 16,-2.6 4,-0.1 15,-0.2 15,-0.0 -0.284 73.3 -88.1 -82.1 161.6 7.7 49.5 3.2 54 54 A P - 0 0 71 0, 0.0 157,-0.3 0, 0.0 -1,-0.1 -0.238 63.9 -66.7 -62.1 155.9 6.1 49.2 -0.2 55 55 A L S S+ 0 0 119 156,-0.1 2,-0.1 155,-0.1 155,-0.1 -0.597 107.4 51.2 -93.8 157.2 2.3 48.6 -0.4 56 56 A P + 0 0 64 0, 0.0 155,-2.8 0, 0.0 3,-0.1 0.577 68.7 143.1 -75.7 144.7 0.3 46.5 0.2 57 57 A R + 0 0 49 1,-0.3 11,-2.1 153,-0.2 2,-0.3 0.327 58.5 45.7-132.3 6.6 1.7 46.2 3.7 58 58 A Y E +K 67 0D 49 9,-0.2 2,-0.4 151,-0.2 -1,-0.3 -0.962 58.6 179.4-151.7 132.3 -1.3 45.6 5.9 59 59 A V E -K 66 0D 39 7,-2.3 7,-1.9 -2,-0.3 2,-0.3 -0.999 25.4-129.4-136.2 130.9 -4.2 43.2 5.3 60 60 A D E -K 65 0D 86 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.584 29.8-166.2 -68.8 134.9 -7.3 42.6 7.4 61 61 A L E > -K 64 0D 10 3,-3.1 3,-1.1 -2,-0.3 139,-0.0 -0.881 34.0-113.6-126.5 155.8 -7.9 38.8 8.1 62 62 A E T 3 S+ 0 0 186 -2,-0.3 160,-0.1 1,-0.2 -1,-0.1 0.860 120.6 34.7 -54.1 -38.7 -10.9 37.0 9.4 63 63 A L T 3 S- 0 0 29 158,-0.1 160,-2.1 471,-0.1 2,-0.3 0.273 135.4 -61.5-106.8 9.4 -8.9 36.0 12.5 64 64 A G E < S-K 61 0D 2 -3,-1.1 -3,-3.1 157,-0.2 2,-0.3 -0.929 70.5 -62.8 158.9-118.0 -6.8 39.2 12.8 65 65 A S E -KL 60 220D 4 155,-1.9 155,-2.3 -2,-0.3 2,-0.3 -0.979 21.7-146.6-159.7 160.8 -4.3 40.9 10.6 66 66 A I E +KL 59 219D 0 -7,-1.9 -7,-2.3 -2,-0.3 2,-0.3 -0.991 26.6 166.2-132.7 139.8 -0.9 40.7 9.0 67 67 A N E -KL 58 218D 23 151,-1.5 151,-2.4 -2,-0.3 -9,-0.2 -0.996 34.1-175.0-152.1 147.5 1.5 43.6 8.4 68 68 A S + 0 0 0 -11,-2.1 -15,-0.2 -2,-0.3 -10,-0.1 -0.595 26.7 162.2-129.6 75.5 5.0 44.6 7.4 69 69 A M - 0 0 45 -17,-0.1 -16,-2.6 1,-0.1 -1,-0.1 0.887 37.5-141.4 -65.6 -37.7 4.7 48.4 7.9 70 70 A G - 0 0 0 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.758 55.6 -72.3 78.7 29.4 8.4 49.0 8.1 71 71 A L - 0 0 8 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.898 63.5-171.3 51.6 55.4 8.1 51.7 10.8 72 72 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.617 23.6 148.6 -69.2 133.1 6.6 54.5 8.7 73 73 A N B -J 50 0C 3 -23,-1.7 -23,-2.6 -2,-0.3 3,-0.1 -0.966 58.1-118.7-165.1 161.2 6.7 57.6 11.0 74 74 A L S S- 0 0 66 -50,-0.4 -25,-0.3 -2,-0.3 4,-0.3 0.368 70.2 -96.7 -93.2 3.8 7.0 61.4 10.8 75 75 A G > - 0 0 4 -27,-0.3 4,-1.5 -31,-0.2 -1,-0.2 0.067 31.7 -81.2 100.3 157.1 10.2 61.4 12.9 76 76 A F H > S+ 0 0 0 -30,-1.8 4,-2.9 -29,-0.2 3,-0.3 0.918 122.0 54.9 -58.9 -49.6 11.2 61.9 16.5 77 77 A D H > S+ 0 0 78 -30,-0.5 4,-2.5 1,-0.2 5,-0.2 0.845 106.1 53.8 -58.9 -39.2 11.2 65.7 16.5 78 78 A Y H > S+ 0 0 75 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.931 113.6 40.0 -62.3 -44.3 7.5 65.8 15.2 79 79 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 5,-0.2 0.922 115.0 53.0 -72.7 -40.4 6.2 63.5 18.0 80 80 A L H X S+ 0 0 14 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.941 110.7 46.6 -60.7 -45.4 8.4 65.2 20.7 81 81 A D H X S+ 0 0 87 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.918 112.1 52.0 -64.7 -39.2 7.1 68.6 19.7 82 82 A Y H X S+ 0 0 11 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.927 112.4 44.1 -62.0 -44.0 3.4 67.3 19.7 83 83 A V H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.869 111.7 53.4 -72.7 -32.0 3.7 65.8 23.2 84 84 A L H X S+ 0 0 36 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.922 111.6 45.0 -64.0 -46.0 5.4 68.9 24.6 85 85 A K H X S+ 0 0 146 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.843 113.2 52.0 -67.9 -34.9 2.8 71.2 23.4 86 86 A N H <>S+ 0 0 15 -4,-1.7 5,-0.6 -5,-0.3 4,-0.5 0.842 103.7 54.2 -77.4 -29.6 0.0 68.9 24.6 87 87 A Q H ><5S+ 0 0 53 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.816 103.4 58.4 -71.4 -29.0 1.3 68.5 28.2 88 88 A K H 3<5S+ 0 0 152 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 98.5 60.6 -64.2 -30.9 1.3 72.4 28.6 89 89 A E T 3<5S- 0 0 122 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.704 89.6-148.7 -72.5 -19.6 -2.5 72.4 27.8 90 90 A N T < 5 + 0 0 146 -3,-0.6 -3,-0.1 -4,-0.5 -2,-0.1 0.910 49.4 142.2 50.9 44.7 -3.4 70.2 30.9 91 91 A A < + 0 0 53 -5,-0.6 2,-0.3 2,-0.0 -1,-0.1 0.290 48.6 49.3-106.8 7.5 -6.3 68.9 28.6 92 92 A Q S S- 0 0 54 -6,-0.1 2,-0.7 -5,-0.1 4,-0.1 -0.994 79.9-112.1-147.5 148.1 -6.4 65.2 29.5 93 93 A E S S+ 0 0 123 -2,-0.3 -81,-0.3 2,-0.0 -84,-0.0 -0.724 91.0 6.6 -74.1 108.2 -6.5 62.9 32.7 94 94 A G S S- 0 0 21 -2,-0.7 -83,-0.1 -83,-0.1 28,-0.1 0.266 93.8 -68.2 92.7 148.8 -3.1 61.2 32.6 95 95 A P - 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M 0 198D 0 -19,-2.3 -19,-2.5 -2,-0.3 2,-0.3 -0.964 46.0 -84.1-151.5 162.4 4.5 39.8 8.4 218 218 A G E -L 67 0D 0 -151,-2.4 -151,-1.5 -2,-0.3 2,-0.4 -0.570 46.1-138.5 -70.9 134.7 3.7 40.4 12.0 219 219 A I E +LM 66 195D 3 -24,-3.0 -24,-2.3 -2,-0.3 2,-0.3 -0.802 27.9 168.1 -99.8 136.2 0.4 38.6 13.0 220 220 A G E +L 65 0D 6 -155,-2.3 -155,-1.9 -2,-0.4 3,-0.4 -0.820 30.7 45.6-135.4 175.6 -2.1 40.2 15.3 221 221 A G S > S- 0 0 10 -157,-0.3 3,-2.5 -2,-0.3 4,-0.4 -0.499 108.9 -13.7 93.7-157.3 -5.7 39.7 16.4 222 222 A A G > S+ 0 0 37 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.802 123.5 70.8 -56.7 -30.2 -7.5 36.6 17.6 223 223 A Y G 3 S+ 0 0 18 -160,-2.1 -1,-0.3 -3,-0.4 4,-0.2 0.791 106.2 38.2 -46.4 -36.5 -4.7 34.4 16.3 224 224 A I G <> S+ 0 0 6 -3,-2.5 4,-2.5 1,-0.2 3,-0.3 0.432 81.6 99.3-107.2 -2.8 -2.4 35.7 19.1 225 225 A K H <> S+ 0 0 23 -3,-1.1 4,-3.0 -4,-0.4 5,-0.3 0.913 82.7 54.1 -59.2 -43.9 -4.5 36.0 22.1 226 226 A P H > S+ 0 0 3 0, 0.0 285,-2.0 0, 0.0 4,-1.5 0.888 114.4 42.6 -55.5 -38.0 -3.4 32.7 23.7 227 227 A T H > S+ 0 0 4 -3,-0.3 4,-1.8 283,-0.2 -59,-0.2 0.823 114.4 51.1 -72.2 -37.5 0.2 33.8 23.3 228 228 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.952 110.6 46.9 -67.3 -53.2 -0.5 37.3 24.5 229 229 A L H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.881 111.8 52.3 -55.8 -43.0 -2.3 36.2 27.6 230 230 A A H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.3 -1,-0.2 0.888 109.7 48.8 -61.4 -37.4 0.4 33.7 28.4 231 231 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.944 112.2 47.5 -71.2 -42.8 3.1 36.4 28.1 232 232 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 117.0 44.5 -60.9 -48.9 1.2 38.8 30.4 233 233 A R H X S+ 0 0 39 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.901 110.9 51.6 -64.5 -43.1 0.6 36.0 32.9 234 234 A A H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.889 114.4 43.1 -67.7 -36.4 4.1 34.6 32.8 235 235 A F H >X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-1.0 0.845 107.0 62.5 -74.4 -32.3 5.7 38.0 33.5 236 236 A Y H 3< S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 107.4 42.4 -58.8 -37.5 3.1 38.8 36.1 237 237 A T T 3< S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.481 123.3 38.7 -87.7 -4.1 4.3 35.9 38.3 238 238 A R T <4 S+ 0 0 61 -3,-1.0 2,-0.3 -4,-0.3 -2,-0.2 0.633 93.5 88.8-117.3 -23.5 8.0 36.7 37.6 239 239 A L S < S- 0 0 16 -4,-2.9 -60,-0.1 -5,-0.1 -61,-0.0 -0.566 82.5-109.0 -84.8 142.2 8.4 40.4 37.6 240 240 A K > - 0 0 57 -2,-0.3 3,-2.3 -62,-0.2 -1,-0.1 -0.331 36.8-111.0 -56.8 141.0 9.0 42.4 40.8 241 241 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.686 113.5 71.6 -59.7 -18.5 5.9 44.4 41.7 242 242 A E T 3 S+ 0 0 129 1,-0.1 2,-0.8 -60,-0.1 -2,-0.0 0.696 89.9 69.8 -63.4 -27.3 7.6 47.7 40.9 243 243 A I S < S- 0 0 6 -3,-2.3 -55,-0.2 -55,-0.1 -56,-0.1 -0.874 75.6-167.1 -97.5 105.3 7.3 46.7 37.2 244 244 A Q E -h 188 0B 57 -57,-1.9 -55,-2.1 -2,-0.8 2,-0.4 -0.218 14.1-118.8 -84.0 178.4 3.7 46.8 36.1 245 245 A I E -h 189 0B 3 19,-0.3 21,-3.4 -57,-0.2 22,-1.3 -0.964 11.9-158.9-130.5 134.3 2.3 45.2 32.8 246 246 A I E -hi 190 267B 0 -57,-2.9 -55,-2.2 -2,-0.4 2,-0.5 -0.955 23.5-145.7-103.2 129.1 0.5 46.5 29.8 247 247 A G E +hi 191 268B 0 20,-2.6 22,-2.5 -2,-0.5 2,-0.4 -0.855 23.7 170.9-100.2 128.9 -1.3 43.7 28.1 248 248 A T E + i 0 269B 11 -57,-2.9 22,-0.1 -2,-0.5 -16,-0.1 -0.998 28.3 78.2-136.9 132.8 -1.5 43.8 24.3 249 249 A G S S+ 0 0 8 20,-0.8 -20,-0.1 -2,-0.4 -56,-0.1 0.143 88.8 5.4 135.0 113.5 -2.8 41.2 21.9 250 250 A G S S+ 0 0 13 1,-0.2 2,-0.7 -22,-0.1 3,-0.3 0.655 73.7 152.6 79.8 16.6 -6.2 39.9 20.7 251 251 A I + 0 0 7 18,-0.3 22,-0.4 1,-0.2 -1,-0.2 -0.733 13.4 124.6 -87.2 118.6 -8.3 42.4 22.5 252 252 A E + 0 0 102 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.482 67.0 42.3-136.5 -31.3 -11.6 43.1 20.7 253 253 A T S > S- 0 0 42 -3,-0.3 4,-1.8 1,-0.1 -1,-0.3 -0.778 83.3-111.0-117.7 165.8 -14.3 42.4 23.4 254 254 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 5,-0.1 0.812 119.6 60.0 -60.5 -31.2 -14.7 43.2 27.1 255 255 A Q H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 104.5 48.0 -65.0 -42.4 -14.3 39.5 27.7 256 256 A D H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.894 113.7 47.9 -61.3 -42.5 -10.8 39.6 26.1 257 257 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.924 109.4 53.3 -59.8 -49.2 -10.0 42.7 28.2 258 258 A F H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.883 107.5 51.2 -54.0 -42.8 -11.3 40.9 31.3 259 259 A E H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.886 109.5 49.1 -64.8 -43.6 -9.0 37.9 30.6 260 260 A H H X>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 4,-1.0 0.892 112.2 48.9 -61.7 -41.6 -5.9 40.1 30.2 261 261 A L H ><5S+ 0 0 0 -4,-2.4 45,-2.8 1,-0.2 3,-0.5 0.897 107.8 54.6 -67.8 -37.9 -6.7 41.9 33.5 262 262 A L H 3<5S+ 0 0 0 -4,-2.2 46,-2.1 43,-0.2 -1,-0.2 0.848 105.5 54.4 -61.9 -34.7 -7.2 38.5 35.2 263 263 A C H 3<5S- 0 0 0 -4,-1.5 -1,-0.2 44,-0.2 -2,-0.2 0.738 130.9 -92.0 -67.3 -28.1 -3.7 37.6 34.1 264 264 A G T <<5S+ 0 0 1 -4,-1.0 -19,-0.3 -3,-0.5 -3,-0.2 0.416 74.1 144.7 127.9 1.6 -2.2 40.7 35.7 265 265 A A < - 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -19,-0.2 -0.423 26.0-171.5 -62.7 142.2 -2.2 43.5 33.0 266 266 A T S S+ 0 0 19 -21,-3.4 2,-0.3 1,-0.3 -20,-0.2 0.785 74.4 30.7-101.0 -49.9 -2.9 46.9 34.4 267 267 A M E S- i 0 246B 0 -22,-1.3 -20,-2.6 -263,-0.0 2,-0.4 -0.767 76.3-150.5-101.0 159.8 -3.2 48.9 31.1 268 268 A L E -bi 15 247B 0 -254,-2.6 -252,-2.1 -2,-0.3 2,-0.4 -0.998 4.2-156.6-131.8 134.8 -4.6 47.3 27.9 269 269 A Q E -bi 16 248B 1 -22,-2.5 -20,-0.8 -2,-0.4 2,-0.5 -0.883 2.7-153.9-115.9 146.2 -3.7 48.1 24.3 270 270 A I E +b 17 0B 1 -254,-1.7 -252,-1.9 -2,-0.4 -249,-0.1 -0.971 23.9 156.9-122.2 116.4 -5.8 47.5 21.2 271 271 A G S >> S+ 0 0 18 -2,-0.5 4,-2.2 -254,-0.2 3,-1.1 0.721 70.2 23.8 -97.8 -90.8 -4.2 47.1 17.8 272 272 A T H 3> S+ 0 0 23 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.828 121.9 52.2 -50.4 -48.4 -6.0 45.2 15.1 273 273 A A H 3> S+ 0 0 11 -22,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.846 111.3 48.6 -63.3 -32.1 -9.5 45.7 16.4 274 274 A L H <> S+ 0 0 1 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.883 108.2 54.8 -74.0 -39.3 -8.9 49.5 16.6 275 275 A H H < S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.4 39.1 -54.8 -42.4 -7.5 49.5 13.1 276 276 A K H < S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.899 128.6 28.5 -76.1 -42.1 -10.8 47.8 11.8 277 277 A E H < S- 0 0 81 -4,-2.2 3,-0.4 -5,-0.2 -3,-0.2 0.666 95.9-136.9-100.8 -22.7 -13.3 49.7 14.0 278 278 A G >< - 0 0 17 -4,-2.4 3,-2.3 -5,-0.2 4,-0.2 -0.150 51.7 -44.9 78.5 178.2 -11.8 53.1 14.7 279 279 A P T > S+ 0 0 30 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.592 120.6 80.7 -66.5 -11.5 -11.8 55.0 18.0 280 280 A A T 3> S+ 0 0 72 -3,-0.4 4,-1.7 1,-0.2 3,-0.2 0.688 75.2 81.8 -61.2 -16.5 -15.5 54.2 18.7 281 281 A I H <> S+ 0 0 0 -3,-2.3 4,-3.0 1,-0.2 5,-0.3 0.888 81.7 61.9 -54.1 -37.5 -14.1 50.8 19.9 282 282 A F H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.941 103.3 46.2 -62.7 -45.0 -13.2 52.3 23.2 283 283 A D H > S+ 0 0 61 -4,-0.5 4,-1.8 -3,-0.2 -1,-0.2 0.931 115.4 48.0 -59.7 -44.6 -16.8 53.2 24.1 284 284 A R H X S+ 0 0 62 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.944 114.2 44.1 -61.9 -47.8 -18.0 49.8 23.1 285 285 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.860 109.7 55.1 -76.7 -31.2 -15.3 47.8 24.9 286 286 A I H X S+ 0 0 16 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.947 110.6 47.3 -57.0 -49.3 -15.6 49.9 28.1 287 287 A K H X S+ 0 0 121 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.857 111.1 50.6 -65.9 -35.8 -19.3 49.1 28.2 288 288 A E H X S+ 0 0 64 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.934 112.4 46.9 -64.9 -46.0 -18.7 45.4 27.6 289 289 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 111.3 51.6 -63.3 -42.0 -16.2 45.2 30.4 290 290 A E H X S+ 0 0 61 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.892 108.4 51.3 -62.8 -36.9 -18.4 47.1 32.7 291 291 A E H X S+ 0 0 100 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.888 108.9 50.6 -68.6 -38.6 -21.3 44.7 32.0 292 292 A I H X S+ 0 0 39 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.922 112.6 47.7 -62.6 -41.9 -19.1 41.7 32.8 293 293 A M H X>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 4,-0.7 0.943 110.6 51.4 -64.3 -42.7 -18.2 43.4 36.0 294 294 A N H ><5S+ 0 0 90 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.887 107.6 51.9 -63.3 -41.8 -21.8 44.2 36.9 295 295 A Q H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.5 43.8 -63.5 -32.4 -22.9 40.6 36.3 296 296 A K H 3<5S- 0 0 53 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.504 115.1-116.5 -88.8 -4.8 -20.2 39.4 38.6 297 297 A G T <<5 + 0 0 60 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.788 63.8 148.9 71.5 28.9 -20.9 42.2 41.2 298 298 A Y < + 0 0 47 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.837 26.3 178.6 -97.4 133.5 -17.4 43.8 40.7 299 299 A Q + 0 0 161 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.471 68.6 30.5-109.3 -10.1 -17.2 47.5 41.2 300 300 A S S > S- 0 0 37 1,-0.1 3,-1.6 -7,-0.1 4,-0.3 -0.995 76.1-118.1-147.8 152.9 -13.4 47.9 40.6 301 301 A I G >> S+ 0 0 14 -300,-0.7 4,-2.0 -298,-0.3 3,-2.0 0.844 110.0 70.3 -56.5 -31.1 -10.7 46.2 38.6 302 302 A A G 34 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.2 -4,-0.0 0.738 82.0 73.8 -60.6 -22.8 -8.9 45.4 41.9 303 303 A D G <4 S+ 0 0 68 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.708 121.7 6.6 -61.2 -26.5 -11.7 42.8 42.6 304 304 A F T X4 S+ 0 0 0 -3,-2.0 3,-1.9 -4,-0.3 -2,-0.2 0.422 87.9 136.5-136.1 0.5 -10.2 40.5 39.9 305 305 A H T 3< S- 0 0 44 -4,-2.0 -43,-0.2 1,-0.3 -44,-0.1 -0.332 89.2 -6.9 -58.4 124.6 -6.9 42.0 38.8 306 306 A G T 3 S+ 0 0 10 -45,-2.8 -1,-0.3 -41,-0.2 -44,-0.2 0.420 98.2 123.9 70.3 6.9 -4.3 39.2 38.6 307 307 A K < + 0 0 118 -3,-1.9 -44,-0.2 -46,-0.1 -2,-0.1 0.122 25.4 150.5 -92.1 21.0 -6.7 36.6 40.1 308 308 A L - 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