==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 13-JUN-11 3SFK . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHOND . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR X.DENG,M.PHILLIPS . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.9 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 2 0 0 0 1 0 0 1 3 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 1 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 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 1 161 A Y 0 0 210 0, 0.0 3,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 92.5 -11.0 -47.2 -11.5 2 162 A N >> - 0 0 54 1,-0.1 4,-1.5 36,-0.0 3,-1.0 -0.896 360.0-139.3 -90.6 120.8 -13.9 -44.8 -12.0 3 163 A P H 3> S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.870 100.7 59.2 -45.8 -46.4 -14.7 -44.9 -15.8 4 164 A E H 3> S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.838 104.2 50.6 -53.7 -41.3 -15.3 -41.1 -15.8 5 165 A F H <> S+ 0 0 5 -3,-1.0 4,-2.0 1,-0.2 335,-0.2 0.919 109.8 49.5 -63.1 -46.1 -11.8 -40.4 -14.5 6 166 A F H X S+ 0 0 130 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.848 109.7 51.9 -63.3 -36.7 -10.2 -42.6 -17.3 7 167 A L H >X S+ 0 0 115 -4,-2.1 4,-1.1 1,-0.2 3,-0.6 0.909 112.2 44.3 -67.5 -45.5 -12.3 -40.9 -20.0 8 168 A Y H 3X S+ 0 0 58 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.834 106.5 61.6 -65.9 -35.4 -11.2 -37.4 -19.0 9 169 A D H 3X S+ 0 0 23 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.663 98.6 56.5 -70.9 -17.6 -7.6 -38.5 -18.5 10 170 A I H - 0 0 53 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.360 38.5-122.1 -57.1 135.9 -0.3 -24.5 -23.9 21 181 A G H > S+ 0 0 10 82,-0.4 4,-2.2 1,-0.2 83,-0.1 0.871 107.8 40.0 -48.9 -52.7 0.0 -25.3 -20.1 22 182 A E H > S+ 0 0 13 81,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.825 111.9 56.0 -72.2 -33.1 -2.0 -22.4 -18.7 23 183 A I H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 110.4 46.5 -67.0 -38.7 -4.7 -22.5 -21.4 24 184 A C H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 3,-0.4 0.968 110.8 52.7 -59.7 -56.6 -5.3 -26.2 -20.5 25 185 A H H X S+ 0 0 32 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.914 110.3 47.4 -45.7 -52.6 -5.3 -25.3 -16.8 26 186 A D H X S+ 0 0 80 -4,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.835 110.3 53.0 -62.9 -34.3 -7.9 -22.6 -17.4 27 187 A L H X S+ 0 0 65 -4,-1.6 4,-2.4 -3,-0.4 -1,-0.2 0.928 111.6 44.1 -67.2 -46.4 -10.1 -25.0 -19.5 28 188 A F H X S+ 0 0 28 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.888 113.0 51.3 -67.8 -39.2 -10.2 -27.7 -16.8 29 189 A L H X S+ 0 0 20 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.864 110.8 50.6 -60.1 -37.2 -10.8 -25.1 -14.1 30 190 A L H X S+ 0 0 83 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.898 108.6 50.9 -68.0 -42.5 -13.6 -23.8 -16.3 31 191 A L H ><>S+ 0 0 32 -4,-2.4 5,-1.5 1,-0.2 3,-0.6 0.957 111.4 48.0 -57.1 -53.3 -15.0 -27.4 -16.6 32 192 A G H ><5S+ 0 0 3 -4,-2.7 3,-1.3 1,-0.2 44,-0.2 0.811 104.6 60.9 -56.1 -35.0 -14.9 -27.8 -12.9 33 193 A K H 3<5S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.876 106.1 46.0 -61.5 -38.9 -16.6 -24.4 -12.4 34 194 A Y T <<5S- 0 0 162 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.189 118.2-115.7 -92.5 15.8 -19.7 -25.7 -14.4 35 195 A N T < 5S+ 0 0 75 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.818 75.3 128.0 60.5 43.1 -19.6 -28.9 -12.3 36 196 A I < + 0 0 89 -5,-1.5 -4,-0.2 2,-0.1 -1,-0.1 0.114 41.1 105.4-114.4 21.9 -18.8 -31.5 -15.1 37 197 A L S S- 0 0 20 -6,-0.2 2,-0.1 -5,-0.2 -32,-0.1 -0.558 76.9 -95.1 -93.6 162.0 -15.9 -33.2 -13.4 38 198 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.453 36.2-136.4 -73.6 152.2 -15.9 -36.7 -11.8 39 199 A Y - 0 0 68 -2,-0.1 2,-0.7 41,-0.1 41,-0.2 -0.823 6.9-144.4-104.2 147.6 -16.5 -37.1 -8.1 40 200 A D + 0 0 24 39,-3.0 41,-0.1 -2,-0.3 301,-0.0 -0.940 28.8 167.3-101.5 103.9 -14.7 -39.3 -5.6 41 201 A T + 0 0 101 -2,-0.7 -1,-0.1 39,-0.1 39,-0.1 0.309 32.9 121.9 -98.9 5.9 -17.6 -40.2 -3.3 42 202 A S - 0 0 69 1,-0.1 2,-0.4 -3,-0.0 -2,-0.1 -0.248 69.8-100.7 -72.7 155.6 -15.8 -43.1 -1.5 43 203 A N - 0 0 167 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.620 34.5-132.8 -74.0 128.4 -15.2 -43.4 2.2 44 204 A D - 0 0 41 -2,-0.4 2,-0.1 1,-0.1 5,-0.1 -0.670 30.9 -98.9 -82.9 137.2 -11.7 -42.4 3.3 45 205 A S > - 0 0 34 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.352 20.9-146.1 -56.7 121.5 -9.8 -44.7 5.7 46 206 A I G > S+ 0 0 134 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.719 100.8 64.7 -60.9 -20.5 -10.1 -43.4 9.3 47 207 A Y G 3 S+ 0 0 124 1,-0.2 315,-2.4 314,-0.1 -1,-0.3 0.577 102.7 47.6 -76.1 -12.1 -6.6 -44.9 9.7 48 208 A A G < S+ 0 0 6 -3,-2.2 -1,-0.2 313,-0.2 -2,-0.2 0.288 85.2 112.9-114.7 6.6 -5.3 -42.4 7.2 49 209 A C < + 0 0 43 -3,-0.7 314,-0.4 -4,-0.2 2,-0.3 -0.337 42.9 179.1 -76.5 163.9 -6.9 -39.2 8.5 50 210 A T E -A 57 0A 2 7,-2.3 7,-3.4 9,-0.1 2,-0.3 -0.946 12.9-156.0-157.8 173.7 -4.7 -36.4 10.0 51 211 A N E -A 56 0A 42 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.969 20.7-142.4-151.5 163.6 -4.6 -33.0 11.6 52 212 A I E > S-A 55 0A 1 3,-2.2 3,-1.9 -2,-0.3 2,-0.1 -0.932 81.1 -52.9-128.8 108.5 -2.6 -29.8 12.4 53 213 A K T 3 S- 0 0 83 -2,-0.4 -1,-0.0 1,-0.3 204,-0.0 -0.399 122.9 -17.4 54.8-128.7 -3.7 -28.8 15.9 54 214 A H T 3 S+ 0 0 155 -2,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.334 114.8 103.0 -87.6 8.3 -7.5 -28.6 16.1 55 215 A L E < -A 52 0A 2 -3,-1.9 -3,-2.2 2,-0.0 2,-0.5 -0.820 61.9-159.3 -93.5 103.5 -7.7 -28.4 12.2 56 216 A D E -A 51 0A 106 -2,-0.9 2,-0.5 -5,-0.2 -5,-0.3 -0.745 7.3-159.1 -96.1 127.5 -8.8 -32.0 11.2 57 217 A F E -A 50 0A 4 -7,-3.4 -7,-2.3 -2,-0.5 89,-0.1 -0.905 13.7-147.8-106.6 122.9 -8.2 -33.3 7.7 58 218 A I S S+ 0 0 40 -2,-0.5 -10,-0.2 87,-0.4 -1,-0.1 0.743 88.3 5.0 -61.6 -25.1 -10.4 -36.2 6.5 59 219 A N S S- 0 0 2 -10,-0.1 -10,-0.2 2,-0.1 24,-0.1 -0.960 81.1-109.1-152.2 163.4 -7.4 -37.4 4.4 60 220 A P S S+ 0 0 1 0, 0.0 269,-2.9 0, 0.0 2,-0.5 0.283 85.3 91.0 -85.0 15.7 -3.8 -36.3 4.0 61 221 A F E +b 329 0B 0 20,-0.2 22,-3.4 267,-0.2 23,-0.8 -0.936 40.9 149.7-122.1 128.7 -4.1 -34.8 0.5 62 222 A G E -bc 330 84B 0 267,-2.0 269,-2.4 -2,-0.5 2,-0.4 -0.766 44.7 -94.9-134.0-177.4 -4.9 -31.3 -0.7 63 223 A V E -bc 331 85B 0 21,-1.5 23,-1.9 267,-0.2 269,-0.2 -0.898 39.2-124.6-108.3 132.8 -4.1 -29.1 -3.7 64 224 A A > - 0 0 8 267,-2.2 3,-0.8 -2,-0.4 4,-0.4 -0.138 34.5 -84.6 -70.9 166.0 -1.3 -26.5 -3.4 65 225 A A T 3 S+ 0 0 19 1,-0.2 24,-0.3 2,-0.1 22,-0.2 -0.252 108.3 46.8 -65.9 157.6 -1.5 -22.8 -4.0 66 226 A G T 3 S+ 0 0 12 22,-3.6 3,-0.2 20,-0.2 -1,-0.2 0.457 92.5 86.8 85.8 2.0 -1.3 -21.4 -7.5 67 227 A F S < S+ 0 0 24 -3,-0.8 2,-0.7 19,-0.4 3,-0.1 0.894 105.0 15.4 -93.8 -64.7 -3.8 -24.0 -8.8 68 228 A D S > S+ 0 0 2 -4,-0.4 20,-1.1 18,-0.3 3,-0.8 -0.738 78.1 168.7-107.2 76.6 -7.1 -22.2 -8.1 69 229 A K T 3 S+ 0 0 31 -2,-0.7 -1,-0.2 18,-0.2 20,-0.1 0.784 78.1 36.0 -59.3 -30.9 -5.6 -18.8 -7.6 70 230 A N T 3 S- 0 0 25 -3,-0.1 -1,-0.2 18,-0.1 59,-0.2 0.363 105.8-120.1-109.9 3.5 -9.1 -17.1 -7.7 71 231 A G < + 0 0 4 -3,-0.8 3,-0.4 17,-0.1 62,-0.1 0.835 69.7 133.3 64.1 37.1 -11.1 -19.8 -6.0 72 232 A V S S+ 0 0 40 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.575 74.0 35.5 -92.2 -11.2 -13.4 -20.3 -9.0 73 233 A C S > S+ 0 0 4 1,-0.1 4,-1.6 2,-0.1 5,-0.2 -0.187 73.7 126.9-138.9 38.1 -13.3 -24.1 -9.0 74 234 A I H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.923 70.6 51.9 -71.1 -46.5 -13.1 -25.1 -5.3 75 235 A D H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.931 113.5 43.5 -56.2 -50.9 -16.1 -27.6 -5.1 76 236 A S H 4 S+ 0 0 2 -44,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.851 113.3 49.1 -71.1 -38.6 -14.9 -29.7 -8.0 77 237 A I H ><>S+ 0 0 6 -4,-1.6 3,-1.6 2,-0.2 5,-0.6 0.965 114.4 47.0 -63.6 -49.9 -11.2 -29.8 -7.1 78 238 A L H >X5S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 4,-1.8 0.950 107.6 57.1 -52.2 -51.4 -12.2 -30.8 -3.6 79 239 A K T 3<5S+ 0 0 11 -4,-2.8 -39,-3.0 1,-0.3 -1,-0.3 0.485 83.8 80.6 -67.4 -3.2 -14.7 -33.4 -4.9 80 240 A L T <45S- 0 0 9 -3,-1.6 264,-0.4 -4,-0.4 -1,-0.3 0.547 129.4 -84.6 -74.7 -6.3 -11.9 -35.1 -6.8 81 241 A G T <45S+ 0 0 4 -3,-2.2 2,-0.2 1,-0.3 -2,-0.2 0.522 85.4 140.8 116.6 12.9 -11.1 -36.6 -3.4 82 242 A F << - 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0 0 16 -2,-0.3 4,-1.1 1,-0.1 3,-0.5 -0.984 57.9-154.6-122.1 121.5 16.6 -29.7 -18.0 271 467 A K T 34 S+ 0 0 188 -2,-0.5 4,-0.3 1,-0.3 -1,-0.1 0.797 97.0 46.2 -64.2 -33.1 17.2 -29.2 -21.7 272 468 A S T 3> S+ 0 0 45 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.680 111.0 53.7 -81.5 -19.6 13.8 -27.5 -22.3 273 469 A F T <4 S+ 0 0 18 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.605 85.5 82.1 -89.1 -15.1 14.2 -25.3 -19.2 274 470 A E T < S+ 0 0 160 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.814 96.5 47.2 -54.2 -33.0 17.5 -24.0 -20.4 275 471 A N T 4 S+ 0 0 118 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.910 106.4 66.6 -71.6 -46.8 15.4 -21.6 -22.5 276 472 A K < - 0 0 67 -4,-0.5 2,-0.3 1,-0.1 -162,-0.1 -0.276 64.3-138.6 -95.3 164.0 12.9 -20.4 -19.8 277 473 A K + 0 0 171 -164,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.836 51.0 59.0-115.6 152.5 12.9 -18.4 -16.6 278 474 A G S S- 0 0 9 -2,-0.3 -163,-0.3 -92,-0.1 2,-0.1 -0.630 81.1 -37.1 126.0 178.7 11.1 -18.9 -13.3 279 475 A G E -L 114 0D 0 -165,-1.7 -165,-2.5 -2,-0.2 2,-0.4 -0.404 54.2-133.3 -76.8 154.3 10.7 -21.3 -10.3 280 476 A V E +LM 113 264D 3 -16,-2.4 -16,-1.7 -167,-0.2 2,-0.3 -0.899 25.0 171.0-118.4 137.5 10.6 -25.1 -10.9 281 477 A S E +L 112 0D 17 -169,-3.2 -169,-3.4 -2,-0.4 2,-0.3 -0.902 32.0 62.1-136.5 164.7 8.3 -27.8 -9.5 282 478 A G E > S-L 111 0D 0 -2,-0.3 3,-1.3 -171,-0.3 4,-0.4 -0.861 98.1 -19.9 122.3-156.4 7.7 -31.5 -10.1 283 479 A A G > S+ 0 0 23 -173,-2.6 3,-1.3 -174,-0.4 4,-0.5 0.828 127.6 59.3 -61.9 -37.6 9.7 -34.7 -9.7 284 480 A K G 3 S+ 0 0 93 -175,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.619 103.2 55.1 -70.2 -10.9 13.1 -33.1 -9.6 285 481 A L G <> S+ 0 0 4 -3,-1.3 4,-2.4 2,-0.1 -1,-0.3 0.583 86.6 86.3 -91.1 -13.8 11.9 -31.1 -6.6 286 482 A K H <> S+ 0 0 43 -3,-1.3 4,-1.8 -4,-0.4 -2,-0.1 0.938 92.2 37.5 -53.4 -60.9 11.0 -34.2 -4.6 287 483 A D H > S+ 0 0 107 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.857 117.6 50.2 -65.4 -39.9 14.4 -35.1 -3.1 288 484 A I H > S+ 0 0 66 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.899 111.8 49.0 -63.7 -41.9 15.4 -31.4 -2.4 289 485 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.823 108.4 53.4 -68.7 -34.2 12.1 -30.7 -0.7 290 486 A T H X S+ 0 0 22 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.903 106.6 50.8 -69.4 -44.6 12.3 -33.8 1.5 291 487 A K H X S+ 0 0 150 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.891 107.4 56.0 -57.3 -42.2 15.8 -32.9 2.9 292 488 A F H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.895 105.8 50.4 -56.0 -45.0 14.4 -29.4 3.7 293 489 A I H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.943 110.6 48.8 -61.6 -49.2 11.6 -31.0 5.8 294 490 A C H X S+ 0 0 54 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.936 113.1 49.1 -50.8 -51.8 14.2 -33.1 7.7 295 491 A E H X S+ 0 0 49 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.925 113.9 43.1 -55.2 -53.1 16.2 -30.0 8.3 296 492 A M H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.695 110.6 56.8 -72.7 -19.7 13.3 -27.8 9.5 297 493 A Y H X>S+ 0 0 32 -4,-1.9 5,-1.3 -5,-0.2 4,-0.6 0.825 108.5 48.9 -75.6 -34.4 12.1 -30.7 11.6 298 494 A N H ><5S+ 0 0 103 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.972 111.7 45.7 -63.1 -56.6 15.5 -30.8 13.3 299 495 A Y T 3<5S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.338 115.4 49.5 -75.4 9.1 15.7 -27.0 14.0 300 496 A T T >45S- 0 0 0 -3,-0.5 3,-1.2 -5,-0.1 -1,-0.2 0.456 98.7-130.2-124.3 -8.7 12.1 -27.0 15.4 301 497 A N T <<5 - 0 0 122 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.837 64.4 -68.5 56.6 38.4 12.2 -30.0 17.8 302 498 A K T 3 S- 0 0 27 1,-0.1 4,-3.1 35,-0.0 -1,-0.2 -0.834 81.4-107.0-128.5 165.0 2.8 -41.5 -5.4 315 511 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.833 125.0 54.3 -56.2 -34.7 1.9 -43.0 -2.0 316 512 A L H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.963 108.5 45.7 -59.5 -56.7 5.6 -43.8 -1.8 317 513 A D H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.899 114.4 50.9 -53.4 -43.6 6.5 -40.2 -2.5 318 514 A A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.892 106.3 53.5 -61.0 -44.0 3.9 -39.2 0.0 319 515 A L H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.866 101.9 58.6 -63.6 -39.8 5.2 -41.6 2.7 320 516 A E H X S+ 0 0 66 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.935 105.0 51.1 -52.7 -50.4 8.7 -40.2 2.5 321 517 A K H <>S+ 0 0 0 -4,-1.3 5,-2.9 1,-0.2 -1,-0.2 0.893 114.5 43.1 -57.0 -45.7 7.4 -36.7 3.4 322 518 A I H ><5S+ 0 0 2 -4,-1.6 45,-2.7 3,-0.3 3,-1.0 0.901 110.7 51.5 -68.5 -42.1 5.6 -38.0 6.4 323 519 A E H 3<5S+ 0 0 37 -4,-3.0 45,-2.9 1,-0.3 46,-0.3 0.922 108.2 54.3 -61.8 -37.4 8.2 -40.3 7.7 324 520 A A T 3<5S- 0 0 8 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.729 139.4 -97.1 -63.2 -19.1 10.3 -37.3 7.4 325 521 A G T < 5S+ 0 0 1 -3,-1.0 2,-0.6 1,-0.3 -19,-0.4 0.630 70.2 153.7 110.8 16.1 7.6 -35.9 9.5 326 522 A A < - 0 0 0 -5,-2.9 -1,-0.3 -6,-0.2 -19,-0.1 -0.700 28.4-160.5 -79.3 124.1 5.1 -34.2 7.2 327 523 A S S S+ 0 0 14 -21,-1.4 2,-0.3 -2,-0.6 -20,-0.2 0.796 72.4 3.9 -66.3 -36.9 1.7 -34.2 8.7 328 524 A V E S- i 0 307B 0 -22,-1.1 -20,-2.9 -278,-0.1 2,-0.3 -0.948 71.5-130.6-150.7 160.0 -0.2 -33.6 5.5 329 525 A C E -bi 61 308B 0 -269,-2.9 -267,-2.0 -2,-0.3 2,-0.4 -0.934 5.6-155.2-127.3 146.6 0.6 -33.3 1.8 330 526 A Q E -b 62 0B 3 -22,-2.8 2,-0.4 -2,-0.3 -18,-0.3 -0.954 11.9-158.3-116.9 139.0 -0.2 -30.9 -1.1 331 527 A L E +b 63 0B 2 -269,-2.4 -267,-2.2 -2,-0.4 -18,-0.1 -0.908 32.1 139.2-114.7 142.9 -0.2 -31.8 -4.8 332 528 A Y S >> S+ 0 0 54 -2,-0.4 3,-0.8 -20,-0.2 4,-0.7 0.362 77.5 44.6-135.5 -57.9 0.2 -29.6 -7.8 333 529 A S H >> S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.811 106.4 63.0 -63.3 -32.5 2.4 -31.3 -10.4 334 530 A C H 3>>S+ 0 0 0 -22,-0.4 4,-2.0 1,-0.2 5,-1.4 0.834 98.5 54.4 -62.6 -35.6 0.7 -34.6 -10.0 335 531 A L H <45S+ 0 0 13 -3,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.743 109.9 49.3 -70.8 -23.0 -2.6 -33.2 -11.2 336 532 A V H <<5S+ 0 0 26 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.878 125.6 23.5 -82.1 -41.6 -0.9 -32.0 -14.4 337 533 A F H <5S+ 0 0 25 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.903 134.0 31.2 -95.2 -49.2 0.9 -35.3 -15.2 338 534 A N T <5S- 0 0 67 -4,-2.0 3,-0.4 -5,-0.2 -3,-0.2 0.788 100.5-158.7 -82.2 -30.2 -1.1 -38.1 -13.5 339 535 A G > < - 0 0 1 -5,-1.4 3,-1.5 1,-0.2 -1,-0.2 -0.522 41.7 -15.7 99.1-153.7 -4.4 -36.3 -13.9 340 536 A M T 3 S+ 0 0 9 1,-0.3 3,-0.4 -335,-0.2 4,-0.3 0.654 124.6 61.6 -71.9 -18.8 -7.8 -36.4 -12.2 341 537 A K T 3> S+ 0 0 34 -3,-0.4 4,-3.7 1,-0.2 5,-0.3 0.475 73.7 106.5 -83.8 -2.0 -7.3 -39.8 -10.6 342 538 A S H <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.851 80.3 43.1 -45.1 -50.6 -4.4 -38.3 -8.6 343 539 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.918 118.3 43.8 -65.4 -47.2 -6.3 -38.1 -5.3 344 540 A V H > S+ 0 0 22 -264,-0.4 4,-2.0 -4,-0.3 -2,-0.2 0.934 117.4 46.7 -62.9 -48.2 -7.9 -41.6 -5.6 345 541 A Q H X S+ 0 0 51 -4,-3.7 4,-2.6 1,-0.2 -2,-0.2 0.965 115.4 43.1 -59.2 -56.5 -4.7 -43.2 -6.8 346 542 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.840 112.5 53.0 -64.2 -35.3 -2.4 -41.6 -4.2 347 543 A K H X S+ 0 0 17 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.919 112.3 45.8 -65.2 -44.9 -4.9 -42.3 -1.3 348 544 A R H X S+ 0 0 93 -4,-2.0 4,-2.3 2,-0.2 3,-0.3 0.968 112.5 49.9 -57.5 -58.0 -5.1 -46.0 -2.3 349 545 A E H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.807 112.3 47.8 -53.6 -37.9 -1.3 -46.3 -2.7 350 546 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.833 108.5 54.4 -75.0 -34.4 -0.7 -44.8 0.8 351 547 A N H X S+ 0 0 57 -4,-1.8 4,-1.3 -3,-0.3 -2,-0.2 0.911 110.9 46.2 -63.2 -43.9 -3.3 -47.0 2.4 352 548 A H H X S+ 0 0 109 -4,-2.3 4,-1.7 1,-0.2 3,-0.4 0.954 114.3 47.2 -60.2 -52.9 -1.6 -50.1 1.1 353 549 A L H X S+ 0 0 34 -4,-2.0 4,-1.9 1,-0.2 6,-0.2 0.848 105.3 58.9 -61.8 -38.8 1.9 -48.9 2.1 354 550 A L H <>S+ 0 0 12 -4,-2.3 5,-0.7 1,-0.2 4,-0.5 0.877 108.3 46.7 -56.9 -40.8 0.8 -47.9 5.6 355 551 A Y H ><5S+ 0 0 196 -4,-1.3 3,-0.8 -3,-0.4 -2,-0.2 0.909 112.1 48.9 -66.0 -46.0 -0.3 -51.5 6.3 356 552 A Q H 3<5S+ 0 0 130 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.765 107.7 54.5 -70.0 -28.3 2.9 -53.1 4.9 357 553 A R T 3<5S- 0 0 133 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.586 115.1-114.7 -82.7 -11.3 5.2 -50.8 6.9 358 554 A G T < 5 + 0 0 62 -3,-0.8 -3,-0.1 -4,-0.5 -2,-0.1 0.198 63.9 146.5 101.2 -14.5 3.4 -51.8 10.2 359 555 A Y < - 0 0 31 -5,-0.7 -1,-0.3 -6,-0.2 3,-0.1 -0.286 39.0-154.7 -61.0 135.9 1.9 -48.4 11.0 360 556 A Y S S- 0 0 160 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.940 76.7 -2.4 -75.6 -54.2 -1.4 -48.4 12.8 361 557 A N S > S- 0 0 51 -313,-0.1 3,-1.1 1,-0.1 4,-0.4 -0.868 78.6-101.9-131.0 169.1 -2.6 -45.0 11.7 362 558 A L G >> S+ 0 0 0 -315,-2.4 3,-2.3 -2,-0.3 4,-0.6 0.899 116.5 63.5 -55.9 -44.1 -1.1 -42.2 9.6 363 559 A K G 34 S+ 0 0 95 -314,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.722 94.8 60.6 -57.0 -26.1 -0.2 -40.2 12.8 364 560 A E G <4 S+ 0 0 82 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.690 100.8 55.6 -74.1 -19.8 2.2 -42.9 13.9 365 561 A A T X4 S+ 0 0 0 -3,-2.3 3,-0.6 -4,-0.4 2,-0.2 0.620 77.7 114.0 -89.2 -15.5 4.3 -42.5 10.8 366 562 A I T 3< S+ 0 0 37 -4,-0.6 -43,-0.2 -3,-0.4 -44,-0.1 -0.411 88.1 1.3 -62.6 121.6 4.9 -38.7 11.2 367 563 A G T 3 S+ 0 0 20 -45,-2.7 -43,-0.2 -2,-0.2 -1,-0.2 0.978 84.4 136.6 65.3 61.8 8.6 -38.1 11.9 368 564 A R < 0 0 138 -45,-2.9 -44,-0.2 -3,-0.6 -1,-0.1 -0.481 360.0 360.0-136.5 65.5 10.1 -41.6 11.6 369 565 A K 0 0 226 -46,-0.3 -45,-0.3 -45,-0.1 -46,-0.1 0.847 360.0 360.0 55.2 360.0 13.3 -41.4 9.6