| Chain sequence(s) |
A: MSKIKWSHPQFEKGGGSGGGSGGSAWSHPQFEKGSGKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNSGSGGLEVLFQGSGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLEGGSGGGSGGGSGMSDITVTNWAGNITYTAKELLRPHSLDALRALVADSARVRVLGSGHSFNEIADPGDGGVLLSLAGSGENLYFQSGSLPSVVDVDTAARTVRVGGGVRYAELARVVHARGLALPNMASLPHISVAGSVATGTHGSGMGNGSLASMVREVELVTADGSTVVIARGDERFGGAVTSLGALGVVTSLTLDLEPAYEMEQHVFTELPLAGLDPATFETVMAAAYSVSLFTDWRAPGFRQVWLKRRTDRPLDGFPYAAPATEKMHPVPGMPAENCTEQFGVPGPWHERLPHFRAEFTPSSGAELGSEYLMPREHALAALHAMDAIRETLAPVLQTCEIRTVAADAQWLSPAYGRDTVAAHFTWVPDTAAVLPVVRRLEEALVPFAARPHWGKVFTVPAGELRALYPRLADFGALARALDPAGKFTNAFVRGVLAGGGSGGGSGGGSGEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQGS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fe6f808a3d5ea63/tmp/folded.pdb (00:18:36)
[INFO] Main: Simulation completed successfully. (00:24:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.5467 | |
| 2 | S | A | 0.0066 | |
| 3 | K | A | -0.9826 | |
| 4 | I | A | 0.5838 | |
| 5 | K | A | -0.6213 | |
| 6 | W | A | 0.4642 | |
| 7 | S | A | -0.5275 | |
| 8 | H | A | -1.2512 | |
| 9 | P | A | -0.8412 | |
| 10 | Q | A | -1.0256 | |
| 11 | F | A | -0.0132 | |
| 12 | E | A | -1.9462 | |
| 13 | K | A | -2.5147 | |
| 14 | G | A | -2.0227 | |
| 15 | G | A | -1.3926 | |
| 16 | G | A | -0.9903 | |
| 17 | S | A | -0.8627 | |
| 18 | G | A | -1.0243 | |
| 19 | G | A | -1.0425 | |
| 20 | G | A | -0.9983 | |
| 21 | S | A | -0.8952 | |
| 22 | G | A | -0.9599 | |
| 23 | G | A | -0.8267 | |
| 24 | S | A | -0.2652 | |
| 25 | A | A | 0.2524 | |
| 26 | W | A | 0.7884 | |
| 27 | S | A | -0.3955 | |
| 28 | H | A | -0.9977 | |
| 29 | P | A | -0.9783 | |
| 30 | Q | A | -1.4052 | |
| 31 | F | A | -0.2263 | |
| 32 | E | A | -2.2472 | |
| 33 | K | A | -2.5413 | |
| 34 | G | A | -2.0531 | |
| 35 | S | A | -1.7439 | |
| 36 | G | A | 0.0000 | |
| 37 | K | A | -2.4449 | |
| 38 | I | A | 0.0000 | |
| 39 | E | A | -3.4081 | |
| 40 | E | A | -3.0090 | |
| 41 | G | A | -1.9841 | |
| 42 | K | A | -2.0885 | |
| 43 | L | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | W | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | N | A | -1.6102 | |
| 49 | G | A | -2.0298 | |
| 50 | D | A | -2.2888 | |
| 51 | K | A | -1.8562 | |
| 52 | G | A | 0.0000 | |
| 53 | Y | A | -1.2514 | |
| 54 | N | A | -1.7381 | |
| 55 | G | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | A | A | -1.7437 | |
| 58 | E | A | -3.1567 | |
| 59 | V | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | K | A | -4.4184 | |
| 62 | K | A | -4.3771 | |
| 63 | F | A | 0.0000 | |
| 64 | E | A | -4.1891 | |
| 65 | K | A | -4.3222 | |
| 66 | D | A | -3.6635 | |
| 67 | T | A | -2.3651 | |
| 68 | G | A | -2.4325 | |
| 69 | I | A | -2.1462 | |
| 70 | K | A | -2.3356 | |
| 71 | V | A | 0.0000 | |
| 72 | T | A | -0.6296 | |
| 73 | V | A | -0.3495 | |
| 74 | E | A | -1.0807 | |
| 75 | H | A | -1.6130 | |
| 76 | P | A | -1.8331 | |
| 77 | D | A | -2.6123 | |
| 78 | K | A | -2.1092 | |
| 79 | L | A | 0.0000 | |
| 80 | E | A | -2.0725 | |
| 81 | E | A | -2.9975 | |
| 82 | K | A | -2.4060 | |
| 83 | F | A | 0.0000 | |
| 84 | P | A | -1.4578 | |
| 85 | Q | A | -1.9291 | |
| 86 | V | A | -1.0452 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | -0.8188 | |
| 89 | T | A | -0.9593 | |
| 90 | G | A | -1.1925 | |
| 91 | D | A | -1.4496 | |
| 92 | G | A | 0.0000 | |
| 93 | P | A | 0.0000 | |
| 94 | D | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | W | A | -0.2427 | |
| 99 | A | A | -0.4408 | |
| 100 | H | A | 0.0000 | |
| 101 | D | A | -1.0134 | |
| 102 | R | A | -1.8190 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | G | A | -1.2524 | |
| 106 | Y | A | 0.0000 | |
| 107 | A | A | -1.6381 | |
| 108 | Q | A | -1.6395 | |
| 109 | S | A | -1.0688 | |
| 110 | G | A | -1.1681 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | -1.1886 | |
| 114 | E | A | -2.2597 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | -1.4602 | |
| 117 | P | A | 0.0000 | |
| 118 | D | A | -2.9043 | |
| 119 | K | A | -3.2181 | |
| 120 | A | A | -2.1891 | |
| 121 | F | A | 0.0000 | |
| 122 | Q | A | -2.4277 | |
| 123 | D | A | -3.0662 | |
| 124 | K | A | -2.1953 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | -0.7827 | |
| 127 | P | A | -0.7587 | |
| 128 | F | A | -0.4796 | |
| 129 | T | A | 0.0000 | |
| 130 | W | A | 0.0000 | |
| 131 | D | A | -1.5487 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | R | A | -2.3684 | |
| 135 | Y | A | -2.2018 | |
| 136 | N | A | -2.5621 | |
| 137 | G | A | -2.3438 | |
| 138 | K | A | -2.6245 | |
| 139 | L | A | -1.7576 | |
| 140 | I | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | -0.6548 | |
| 148 | A | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | Y | A | -0.5574 | |
| 154 | N | A | 0.0000 | |
| 155 | K | A | -2.1005 | |
| 156 | D | A | -2.3704 | |
| 157 | L | A | -1.4728 | |
| 158 | L | A | 0.0000 | |
| 159 | P | A | -1.5543 | |
| 160 | N | A | -1.9242 | |
| 161 | P | A | -1.1758 | |
| 162 | P | A | -1.3886 | |
| 163 | K | A | -2.0997 | |
| 164 | T | A | -1.7970 | |
| 165 | W | A | 0.0000 | |
| 166 | E | A | -1.6831 | |
| 167 | E | A | -1.3330 | |
| 168 | I | A | 0.0000 | |
| 169 | P | A | -1.5299 | |
| 170 | A | A | -1.2055 | |
| 171 | L | A | -1.3716 | |
| 172 | D | A | 0.0000 | |
| 173 | K | A | -3.3566 | |
| 174 | E | A | -3.3496 | |
| 175 | L | A | 0.0000 | |
| 176 | K | A | -3.0702 | |
| 177 | A | A | -2.4923 | |
| 178 | K | A | -2.9630 | |
| 179 | G | A | -2.5992 | |
| 180 | K | A | -2.6545 | |
| 181 | S | A | -1.8168 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | M | A | -0.2055 | |
| 185 | F | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | Q | A | -1.0176 | |
| 189 | E | A | 0.0000 | |
| 190 | P | A | 0.0000 | |
| 191 | Y | A | 0.3923 | |
| 192 | F | A | 0.0000 | |
| 193 | T | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | P | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | D | A | -1.7368 | |
| 201 | G | A | -0.9132 | |
| 202 | G | A | 0.0000 | |
| 203 | Y | A | -0.2123 | |
| 204 | A | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | K | A | -1.6240 | |
| 207 | Y | A | -1.6243 | |
| 208 | E | A | -3.0096 | |
| 209 | N | A | -2.8231 | |
| 210 | G | A | -2.8858 | |
| 211 | K | A | -3.1590 | |
| 212 | Y | A | -2.0036 | |
| 213 | D | A | -2.2932 | |
| 214 | I | A | -1.2938 | |
| 215 | K | A | -2.2988 | |
| 216 | D | A | -1.7402 | |
| 217 | V | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | D | A | -1.7714 | |
| 221 | N | A | -1.1156 | |
| 222 | A | A | -0.6789 | |
| 223 | G | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | K | A | -1.1122 | |
| 226 | A | A | -0.7169 | |
| 227 | G | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | T | A | -0.5035 | |
| 230 | F | A | -0.5009 | |
| 231 | L | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | D | A | -2.3088 | |
| 234 | L | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | K | A | -3.5364 | |
| 237 | N | A | -3.4084 | |
| 238 | K | A | -3.5623 | |
| 239 | H | A | -2.4171 | |
| 240 | M | A | 0.0000 | |
| 241 | N | A | -2.7165 | |
| 242 | A | A | -2.1289 | |
| 243 | D | A | -2.4037 | |
| 244 | T | A | 0.0000 | |
| 245 | D | A | -1.0394 | |
| 246 | Y | A | 0.0714 | |
| 247 | S | A | 0.1051 | |
| 248 | I | A | 0.4265 | |
| 249 | A | A | 0.0000 | |
| 250 | E | A | -0.5260 | |
| 251 | A | A | -0.7329 | |
| 252 | A | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | N | A | -2.1188 | |
| 255 | K | A | -2.5942 | |
| 256 | G | A | -2.2968 | |
| 257 | E | A | -2.5943 | |
| 258 | T | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | N | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | P | A | 0.0142 | |
| 266 | W | A | 0.1242 | |
| 267 | A | A | 0.0000 | |
| 268 | W | A | 0.0000 | |
| 269 | S | A | -1.1220 | |
| 270 | N | A | -1.8602 | |
| 271 | I | A | 0.0000 | |
| 272 | D | A | -2.4161 | |
| 273 | T | A | -1.6940 | |
| 274 | S | A | -2.0886 | |
| 275 | K | A | -2.6993 | |
| 276 | V | A | -2.2348 | |
| 277 | N | A | -2.1410 | |
| 278 | Y | A | -1.3096 | |
| 279 | G | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | T | A | -0.2030 | |
| 282 | V | A | -0.0794 | |
| 283 | L | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | T | A | -1.4406 | |
| 286 | F | A | 0.0000 | |
| 287 | K | A | -2.4656 | |
| 288 | G | A | -2.0183 | |
| 289 | Q | A | -1.8273 | |
| 290 | P | A | -1.2418 | |
| 291 | S | A | 0.0000 | |
| 292 | K | A | -0.9514 | |
| 293 | P | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | G | A | -0.3173 | |
| 297 | V | A | 0.0000 | |
| 298 | L | A | -0.0041 | |
| 299 | S | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | N | A | 0.0000 | |
| 304 | A | A | -0.6012 | |
| 305 | A | A | -0.3989 | |
| 306 | S | A | 0.0000 | |
| 307 | P | A | -1.4845 | |
| 308 | N | A | 0.0000 | |
| 309 | K | A | -2.0233 | |
| 310 | E | A | -2.5706 | |
| 311 | L | A | -1.6447 | |
| 312 | A | A | 0.0000 | |
| 313 | K | A | -2.2874 | |
| 314 | E | A | -2.0823 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | E | A | 0.0000 | |
| 318 | N | A | -1.6026 | |
| 319 | Y | A | -1.4058 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | -1.5586 | |
| 323 | D | A | -2.2312 | |
| 324 | E | A | -2.5463 | |
| 325 | G | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | E | A | -2.5364 | |
| 328 | A | A | -2.4005 | |
| 329 | V | A | 0.0000 | |
| 330 | N | A | -2.0238 | |
| 331 | K | A | -2.6867 | |
| 332 | D | A | -2.3948 | |
| 333 | K | A | -2.1019 | |
| 334 | P | A | -1.1988 | |
| 335 | L | A | -0.6866 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | K | A | -1.7469 | |
| 342 | S | A | -1.6726 | |
| 343 | Y | A | 0.0000 | |
| 344 | E | A | 0.0000 | |
| 345 | E | A | -2.9737 | |
| 346 | E | A | -3.1831 | |
| 347 | L | A | -1.9420 | |
| 348 | V | A | -1.7043 | |
| 349 | K | A | -2.5813 | |
| 350 | D | A | -1.5270 | |
| 351 | P | A | -0.9731 | |
| 352 | R | A | -0.8870 | |
| 353 | I | A | 0.0000 | |
| 354 | A | A | -0.8882 | |
| 355 | A | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | E | A | -1.6616 | |
| 359 | N | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | Q | A | -1.9784 | |
| 362 | K | A | -1.7980 | |
| 363 | G | A | -1.2044 | |
| 364 | E | A | -0.5133 | |
| 365 | I | A | -0.2381 | |
| 366 | M | A | 0.1244 | |
| 367 | P | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | I | A | -0.6045 | |
| 370 | P | A | -0.6826 | |
| 371 | Q | A | -0.0647 | |
| 372 | M | A | 0.0000 | |
| 373 | S | A | 0.0202 | |
| 374 | A | A | 0.0000 | |
| 375 | F | A | 0.0000 | |
| 376 | W | A | 0.1803 | |
| 377 | Y | A | 0.4810 | |
| 378 | A | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | R | A | -0.5462 | |
| 381 | T | A | -0.4132 | |
| 382 | A | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | I | A | -0.7781 | |
| 385 | N | A | -1.2925 | |
| 386 | A | A | 0.0000 | |
| 387 | A | A | -1.4078 | |
| 388 | S | A | -1.6089 | |
| 389 | G | A | -1.7323 | |
| 390 | R | A | -2.4478 | |
| 391 | Q | A | -2.1227 | |
| 392 | T | A | -1.9872 | |
| 393 | V | A | -1.9497 | |
| 394 | D | A | -3.3783 | |
| 395 | E | A | -3.7748 | |
| 396 | A | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | K | A | -3.6944 | |
| 399 | D | A | -3.0613 | |
| 400 | A | A | 0.0000 | |
| 401 | Q | A | -2.0307 | |
| 402 | T | A | -1.5479 | |
| 403 | N | A | -0.9088 | |
| 404 | S | A | 0.0000 | |
| 405 | G | A | 0.0000 | |
| 406 | S | A | -1.1689 | |
| 407 | G | A | -0.9172 | |
| 408 | G | A | 0.0000 | |
| 409 | L | A | -0.1205 | |
| 410 | E | A | -1.2147 | |
| 411 | V | A | 0.3109 | |
| 412 | L | A | -0.0012 | |
| 413 | F | A | -0.7472 | |
| 414 | Q | A | -1.4280 | |
| 415 | G | A | -1.1191 | |
| 416 | S | A | -1.1925 | |
| 417 | G | A | 0.0000 | |
| 418 | V | A | 0.0000 | |
| 419 | Q | A | -1.8068 | |
| 420 | V | A | -1.5448 | |
| 421 | E | A | -2.0722 | |
| 422 | T | A | -1.0752 | |
| 423 | I | A | -0.1502 | |
| 424 | S | A | -0.5771 | |
| 425 | P | A | -0.7039 | |
| 426 | G | A | -1.1277 | |
| 427 | D | A | -1.4597 | |
| 428 | G | A | -1.5589 | |
| 429 | R | A | -2.1010 | |
| 430 | T | A | -1.2322 | |
| 431 | F | A | -0.9201 | |
| 432 | P | A | 0.0000 | |
| 433 | K | A | -2.7548 | |
| 434 | R | A | -3.1654 | |
| 435 | G | A | -2.2039 | |
| 436 | Q | A | -1.8088 | |
| 437 | T | A | -1.5341 | |
| 438 | C | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | V | A | 0.0000 | |
| 441 | H | A | -1.3328 | |
| 442 | Y | A | 0.0000 | |
| 443 | T | A | -0.8431 | |
| 444 | G | A | 0.0000 | |
| 445 | M | A | -1.5966 | |
| 446 | L | A | -1.9466 | |
| 447 | E | A | -3.0971 | |
| 448 | D | A | -3.3927 | |
| 449 | G | A | -2.7674 | |
| 450 | K | A | -3.0114 | |
| 451 | K | A | -2.0819 | |
| 452 | F | A | -0.4975 | |
| 453 | D | A | -1.1611 | |
| 454 | S | A | 0.0000 | |
| 455 | S | A | 0.0000 | |
| 456 | R | A | -2.9277 | |
| 457 | D | A | -3.7125 | |
| 458 | R | A | -4.0801 | |
| 459 | N | A | -3.7166 | |
| 460 | K | A | -3.4248 | |
| 461 | P | A | -1.6043 | |
| 462 | F | A | -0.8753 | |
| 463 | K | A | -1.6155 | |
| 464 | F | A | 0.0000 | |
| 465 | M | A | -1.9486 | |
| 466 | L | A | 0.0000 | |
| 467 | G | A | -2.8732 | |
| 468 | K | A | -3.1915 | |
| 469 | Q | A | -3.0864 | |
| 470 | E | A | -3.1046 | |
| 471 | V | A | -1.7191 | |
| 472 | I | A | -1.2141 | |
| 473 | R | A | -2.2977 | |
| 474 | G | A | 0.0000 | |
| 475 | W | A | 0.0000 | |
| 476 | E | A | -2.2750 | |
| 477 | E | A | -1.9749 | |
| 478 | G | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | A | A | -1.5516 | |
| 481 | Q | A | -1.7234 | |
| 482 | M | A | 0.0000 | |
| 483 | S | A | 0.0000 | |
| 484 | V | A | -0.8046 | |
| 485 | G | A | -1.0019 | |
| 486 | Q | A | -1.0438 | |
| 487 | R | A | -1.2207 | |
| 488 | A | A | 0.0000 | |
| 489 | K | A | -1.4597 | |
| 490 | L | A | 0.0000 | |
| 491 | T | A | -0.8785 | |
| 492 | I | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | P | A | -1.0886 | |
| 495 | D | A | -2.0850 | |
| 496 | Y | A | -1.3280 | |
| 497 | A | A | -0.6872 | |
| 498 | Y | A | -0.4075 | |
| 499 | G | A | -0.9895 | |
| 500 | A | A | -0.7788 | |
| 501 | T | A | -0.4693 | |
| 502 | G | A | -0.6977 | |
| 503 | H | A | -0.5744 | |
| 504 | P | A | -0.5060 | |
| 505 | G | A | -0.2052 | |
| 506 | I | A | 0.5526 | |
| 507 | I | A | 0.0000 | |
| 508 | P | A | -0.4767 | |
| 509 | P | A | -0.7848 | |
| 510 | H | A | -1.4612 | |
| 511 | A | A | -1.0903 | |
| 512 | T | A | -1.2273 | |
| 513 | L | A | 0.0000 | |
| 514 | V | A | -1.0405 | |
| 515 | F | A | 0.0000 | |
| 516 | D | A | -0.6892 | |
| 517 | V | A | 0.0000 | |
| 518 | E | A | -0.9603 | |
| 519 | L | A | 0.0000 | |
| 520 | L | A | -0.2867 | |
| 521 | K | A | -1.0746 | |
| 522 | L | A | -0.9340 | |
| 523 | E | A | -1.2423 | |
| 524 | G | A | -1.0592 | |
| 525 | G | A | -1.3091 | |
| 526 | S | A | -1.0098 | |
| 527 | G | A | -1.0988 | |
| 528 | G | A | -1.1156 | |
| 529 | G | A | -1.0855 | |
| 530 | S | A | -0.9695 | |
| 531 | G | A | -1.0940 | |
| 532 | G | A | -1.1244 | |
| 533 | G | A | -0.9440 | |
| 534 | S | A | -0.5822 | |
| 535 | G | A | -0.5914 | |
| 536 | M | A | 0.2155 | |
| 537 | S | A | -0.3934 | |
| 538 | D | A | -1.4293 | |
| 539 | I | A | 0.3555 | |
| 540 | T | A | -0.2615 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | 0.0338 | |
| 543 | N | A | 0.0000 | |
| 544 | W | A | -0.2974 | |
| 545 | A | A | -0.4920 | |
| 546 | G | A | -0.6509 | |
| 547 | N | A | -0.8237 | |
| 548 | I | A | -0.3781 | |
| 549 | T | A | -0.3645 | |
| 550 | Y | A | 0.0000 | |
| 551 | T | A | -1.4408 | |
| 552 | A | A | 0.0000 | |
| 553 | K | A | -2.2919 | |
| 554 | E | A | -1.6840 | |
| 555 | L | A | -0.3337 | |
| 556 | L | A | -0.3916 | |
| 557 | R | A | -0.9704 | |
| 558 | P | A | 0.0000 | |
| 559 | H | A | -1.4306 | |
| 560 | S | A | -1.0649 | |
| 561 | L | A | -0.7414 | |
| 562 | D | A | -1.9435 | |
| 563 | A | A | -1.1778 | |
| 564 | L | A | 0.0000 | |
| 565 | R | A | -1.8150 | |
| 566 | A | A | -1.3881 | |
| 567 | L | A | -0.9229 | |
| 568 | V | A | 0.0000 | |
| 569 | A | A | -1.8164 | |
| 570 | D | A | -2.2092 | |
| 571 | S | A | -1.3501 | |
| 572 | A | A | -0.9717 | |
| 573 | R | A | -1.6881 | |
| 574 | V | A | 0.0000 | |
| 575 | R | A | 0.0000 | |
| 576 | V | A | 0.4881 | |
| 577 | L | A | 0.0000 | |
| 578 | G | A | -0.2232 | |
| 579 | S | A | -0.1987 | |
| 580 | G | A | -0.1868 | |
| 581 | H | A | -0.3201 | |
| 582 | S | A | -0.4125 | |
| 583 | F | A | 0.0000 | |
| 584 | N | A | 0.0000 | |
| 585 | E | A | -1.3962 | |
| 586 | I | A | 0.0000 | |
| 587 | A | A | 0.0000 | |
| 588 | D | A | -0.8570 | |
| 589 | P | A | 0.0000 | |
| 590 | G | A | -1.4986 | |
| 591 | D | A | -2.4323 | |
| 592 | G | A | -1.7487 | |
| 593 | G | A | -1.4354 | |
| 594 | V | A | -0.6952 | |
| 595 | L | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | S | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | A | A | -0.5081 | |
| 600 | G | A | -0.8014 | |
| 601 | S | A | -1.2303 | |
| 602 | G | A | -1.2677 | |
| 603 | E | A | -2.2216 | |
| 604 | N | A | -1.0440 | |
| 605 | L | A | 1.1531 | |
| 606 | Y | A | 2.0144 | |
| 607 | F | A | 2.1947 | |
| 608 | Q | A | 0.2089 | |
| 609 | S | A | -0.9279 | |
| 610 | G | A | -1.4739 | |
| 611 | S | A | -1.1265 | |
| 612 | L | A | -0.4598 | |
| 613 | P | A | -0.3773 | |
| 614 | S | A | -0.2227 | |
| 615 | V | A | -0.2860 | |
| 616 | V | A | -0.8319 | |
| 617 | D | A | -2.1203 | |
| 618 | V | A | 0.0000 | |
| 619 | D | A | -2.2771 | |
| 620 | T | A | -1.5191 | |
| 621 | A | A | -0.6603 | |
| 622 | A | A | -0.8843 | |
| 623 | R | A | -1.7267 | |
| 624 | T | A | -1.6886 | |
| 625 | V | A | 0.0000 | |
| 626 | R | A | -1.7332 | |
| 627 | V | A | 0.0000 | |
| 628 | G | A | 0.0000 | |
| 629 | G | A | 0.0000 | |
| 630 | G | A | -0.1688 | |
| 631 | V | A | 0.0000 | |
| 632 | R | A | -0.4660 | |
| 633 | Y | A | 0.0000 | |
| 634 | A | A | -1.0592 | |
| 635 | E | A | -0.7356 | |
| 636 | L | A | 0.0000 | |
| 637 | A | A | 0.0000 | |
| 638 | R | A | -2.1002 | |
| 639 | V | A | -1.0511 | |
| 640 | V | A | 0.0000 | |
| 641 | H | A | -1.2921 | |
| 642 | A | A | -1.2671 | |
| 643 | R | A | -1.7983 | |
| 644 | G | A | -1.0823 | |
| 645 | L | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | P | A | -0.2487 | |
| 649 | N | A | 0.0000 | |
| 650 | M | A | 0.0000 | |
| 651 | A | A | 0.0000 | |
| 652 | S | A | 0.0683 | |
| 653 | L | A | 0.2515 | |
| 654 | P | A | 0.0000 | |
| 655 | H | A | 0.0000 | |
| 656 | I | A | -0.0671 | |
| 657 | S | A | 0.0000 | |
| 658 | V | A | 0.0000 | |
| 659 | A | A | -0.1045 | |
| 660 | G | A | -0.2982 | |
| 661 | S | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | A | A | -0.0844 | |
| 664 | T | A | 0.0000 | |
| 665 | G | A | 0.0000 | |
| 666 | T | A | -0.0376 | |
| 667 | H | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | S | A | 0.0000 | |
| 670 | G | A | 0.0000 | |
| 671 | M | A | -0.4325 | |
| 672 | G | A | -0.4936 | |
| 673 | N | A | 0.0000 | |
| 674 | G | A | -0.3220 | |
| 675 | S | A | 0.0000 | |
| 676 | L | A | 0.0000 | |
| 677 | A | A | 0.0000 | |
| 678 | S | A | -0.3481 | |
| 679 | M | A | 0.0000 | |
| 680 | V | A | 0.0000 | |
| 681 | R | A | -1.7618 | |
| 682 | E | A | -1.2513 | |
| 683 | V | A | 0.0000 | |
| 684 | E | A | 0.3151 | |
| 685 | L | A | 0.0000 | |
| 686 | V | A | 0.0000 | |
| 687 | T | A | 0.0000 | |
| 688 | A | A | -1.3786 | |
| 689 | D | A | -2.2029 | |
| 690 | G | A | 0.0000 | |
| 691 | S | A | -0.9570 | |
| 692 | T | A | 0.0270 | |
| 693 | V | A | 0.8686 | |
| 694 | V | A | 1.2051 | |
| 695 | I | A | 0.0000 | |
| 696 | A | A | -1.3394 | |
| 697 | R | A | -2.3976 | |
| 698 | G | A | -2.0044 | |
| 699 | D | A | -2.0392 | |
| 700 | E | A | -2.6163 | |
| 701 | R | A | -2.0347 | |
| 702 | F | A | -1.3688 | |
| 703 | G | A | -1.2228 | |
| 704 | G | A | 0.0000 | |
| 705 | A | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | T | A | 0.0000 | |
| 708 | S | A | 0.0000 | |
| 709 | L | A | 0.0000 | |
| 710 | G | A | -0.0022 | |
| 711 | A | A | 0.0000 | |
| 712 | L | A | 0.0000 | |
| 713 | G | A | 0.0000 | |
| 714 | V | A | 0.0000 | |
| 715 | V | A | 0.3065 | |
| 716 | T | A | 0.1099 | |
| 717 | S | A | 0.0000 | |
| 718 | L | A | 0.0000 | |
| 719 | T | A | -1.1072 | |
| 720 | L | A | 0.0000 | |
| 721 | D | A | -1.2269 | |
| 722 | L | A | 0.0000 | |
| 723 | E | A | -0.7947 | |
| 724 | P | A | -0.8201 | |
| 725 | A | A | -0.9401 | |
| 726 | Y | A | 0.0000 | |
| 727 | E | A | -2.5285 | |
| 728 | M | A | 0.0000 | |
| 729 | E | A | -0.3304 | |
| 730 | Q | A | 0.0000 | |
| 731 | H | A | 0.3935 | |
| 732 | V | A | 0.0000 | |
| 733 | F | A | -0.3474 | |
| 734 | T | A | -1.0146 | |
| 735 | E | A | -2.0692 | |
| 736 | L | A | 0.0000 | |
| 737 | P | A | -0.8716 | |
| 738 | L | A | 0.0000 | |
| 739 | A | A | -0.5703 | |
| 740 | G | A | -0.8882 | |
| 741 | L | A | 0.0000 | |
| 742 | D | A | -1.7595 | |
| 743 | P | A | -1.6334 | |
| 744 | A | A | -1.0483 | |
| 745 | T | A | -1.0401 | |
| 746 | F | A | 0.0000 | |
| 747 | E | A | -2.0732 | |
| 748 | T | A | -0.9001 | |
| 749 | V | A | 0.0000 | |
| 750 | M | A | 0.0000 | |
| 751 | A | A | -0.3902 | |
| 752 | A | A | -0.4832 | |
| 753 | A | A | -0.4384 | |
| 754 | Y | A | -0.2356 | |
| 755 | S | A | 0.0000 | |
| 756 | V | A | 0.0000 | |
| 757 | S | A | 0.0000 | |
| 758 | L | A | 0.0000 | |
| 759 | F | A | 0.0000 | |
| 760 | T | A | 0.0000 | |
| 761 | D | A | -1.0941 | |
| 762 | W | A | 0.0000 | |
| 763 | R | A | -2.5768 | |
| 764 | A | A | -1.4711 | |
| 765 | P | A | -1.1694 | |
| 766 | G | A | 0.0000 | |
| 767 | F | A | 0.0000 | |
| 768 | R | A | -1.6146 | |
| 769 | Q | A | 0.0000 | |
| 770 | V | A | 0.0000 | |
| 771 | W | A | 0.0000 | |
| 772 | L | A | 0.0000 | |
| 773 | K | A | 0.0000 | |
| 774 | R | A | -1.2143 | |
| 775 | R | A | -2.0304 | |
| 776 | T | A | -2.2496 | |
| 777 | D | A | -3.1119 | |
| 778 | R | A | -2.9720 | |
| 779 | P | A | -1.8168 | |
| 780 | L | A | -1.1842 | |
| 781 | D | A | -1.9606 | |
| 782 | G | A | -1.1367 | |
| 783 | F | A | -0.4026 | |
| 784 | P | A | -0.2950 | |
| 785 | Y | A | 0.0014 | |
| 786 | A | A | -0.4804 | |
| 787 | A | A | -0.3949 | |
| 788 | P | A | -0.3693 | |
| 789 | A | A | -0.6392 | |
| 790 | T | A | -0.8085 | |
| 791 | E | A | -1.7987 | |
| 792 | K | A | -1.4239 | |
| 793 | M | A | -0.7049 | |
| 794 | H | A | 0.0000 | |
| 795 | P | A | 0.0000 | |
| 796 | V | A | 0.0234 | |
| 797 | P | A | -0.3688 | |
| 798 | G | A | -0.3230 | |
| 799 | M | A | -0.0241 | |
| 800 | P | A | -0.6688 | |
| 801 | A | A | -1.2835 | |
| 802 | E | A | -1.9870 | |
| 803 | N | A | -1.2543 | |
| 804 | C | A | 0.0000 | |
| 805 | T | A | 0.0000 | |
| 806 | E | A | -0.5746 | |
| 807 | Q | A | 0.0000 | |
| 808 | F | A | 1.5000 | |
| 809 | G | A | 1.0258 | |
| 810 | V | A | 1.3336 | |
| 811 | P | A | -0.2945 | |
| 812 | G | A | -0.9503 | |
| 813 | P | A | -1.3092 | |
| 814 | W | A | 0.0000 | |
| 815 | H | A | -1.3717 | |
| 816 | E | A | -1.7379 | |
| 817 | R | A | 0.0000 | |
| 818 | L | A | 0.0000 | |
| 819 | P | A | 0.0000 | |
| 820 | H | A | 0.0000 | |
| 821 | F | A | -0.6287 | |
| 822 | R | A | -1.4813 | |
| 823 | A | A | -1.3323 | |
| 824 | E | A | -1.7309 | |
| 825 | F | A | -0.7596 | |
| 826 | T | A | -0.7089 | |
| 827 | P | A | -0.2874 | |
| 828 | S | A | -0.5213 | |
| 829 | S | A | -0.4643 | |
| 830 | G | A | -0.3818 | |
| 831 | A | A | -0.3954 | |
| 832 | E | A | -0.5930 | |
| 833 | L | A | 0.0000 | |
| 834 | G | A | 0.0000 | |
| 835 | S | A | 0.0000 | |
| 836 | E | A | 0.0000 | |
| 837 | Y | A | 0.0000 | |
| 838 | L | A | 0.0000 | |
| 839 | M | A | 0.0000 | |
| 840 | P | A | -1.1202 | |
| 841 | R | A | -1.6697 | |
| 842 | E | A | -2.4246 | |
| 843 | H | A | -1.2461 | |
| 844 | A | A | 0.0000 | |
| 845 | L | A | -0.7540 | |
| 846 | A | A | -0.5546 | |
| 847 | A | A | 0.0000 | |
| 848 | L | A | 0.0000 | |
| 849 | H | A | -0.7529 | |
| 850 | A | A | -0.5060 | |
| 851 | M | A | 0.0000 | |
| 852 | D | A | -1.0124 | |
| 853 | A | A | -0.4759 | |
| 854 | I | A | -0.6981 | |
| 855 | R | A | -1.7426 | |
| 856 | E | A | -2.3596 | |
| 857 | T | A | -1.4227 | |
| 858 | L | A | 0.0000 | |
| 859 | A | A | 0.0000 | |
| 860 | P | A | -0.9386 | |
| 861 | V | A | 0.0000 | |
| 862 | L | A | 0.0000 | |
| 863 | Q | A | -0.2798 | |
| 864 | T | A | 0.0000 | |
| 865 | C | A | 0.0000 | |
| 866 | E | A | 0.0000 | |
| 867 | I | A | 0.0000 | |
| 868 | R | A | 0.0000 | |
| 869 | T | A | 0.0000 | |
| 870 | V | A | 0.0000 | |
| 871 | A | A | -0.5987 | |
| 872 | A | A | -0.6519 | |
| 873 | D | A | 0.0000 | |
| 874 | A | A | -0.0347 | |
| 875 | Q | A | 0.0000 | |
| 876 | W | A | -0.7583 | |
| 877 | L | A | 0.0000 | |
| 878 | S | A | 0.0000 | |
| 879 | P | A | 0.0000 | |
| 880 | A | A | 0.0000 | |
| 881 | Y | A | -0.4400 | |
| 882 | G | A | -0.6813 | |
| 883 | R | A | -1.0952 | |
| 884 | D | A | -1.4932 | |
| 885 | T | A | 0.0000 | |
| 886 | V | A | 0.0000 | |
| 887 | A | A | 0.0000 | |
| 888 | A | A | 0.0000 | |
| 889 | H | A | -0.1496 | |
| 890 | F | A | 0.0000 | |
| 891 | T | A | 0.0000 | |
| 892 | W | A | 0.0000 | |
| 893 | V | A | -0.1376 | |
| 894 | P | A | -0.7995 | |
| 895 | D | A | -1.0207 | |
| 896 | T | A | -0.3838 | |
| 897 | A | A | -0.1150 | |
| 898 | A | A | -0.1048 | |
| 899 | V | A | 0.0000 | |
| 900 | L | A | 0.0281 | |
| 901 | P | A | -0.6793 | |
| 902 | V | A | 0.0000 | |
| 903 | V | A | 0.0000 | |
| 904 | R | A | -2.5942 | |
| 905 | R | A | -2.8106 | |
| 906 | L | A | 0.0000 | |
| 907 | E | A | 0.0000 | |
| 908 | E | A | -2.2011 | |
| 909 | A | A | -0.9916 | |
| 910 | L | A | 0.0000 | |
| 911 | V | A | 0.9673 | |
| 912 | P | A | 0.3796 | |
| 913 | F | A | 0.3187 | |
| 914 | A | A | 0.4217 | |
| 915 | A | A | 0.3487 | |
| 916 | R | A | 0.0000 | |
| 917 | P | A | 0.0000 | |
| 918 | H | A | 0.0000 | |
| 919 | W | A | 0.0000 | |
| 920 | G | A | 0.0000 | |
| 921 | K | A | -0.2495 | |
| 922 | V | A | 0.2065 | |
| 923 | F | A | 0.2165 | |
| 924 | T | A | -0.2175 | |
| 925 | V | A | -0.5694 | |
| 926 | P | A | -0.7640 | |
| 927 | A | A | -1.0598 | |
| 928 | G | A | -1.4249 | |
| 929 | E | A | -1.8066 | |
| 930 | L | A | 0.0000 | |
| 931 | R | A | -1.1685 | |
| 932 | A | A | -0.8812 | |
| 933 | L | A | -0.4745 | |
| 934 | Y | A | 0.0000 | |
| 935 | P | A | -1.2334 | |
| 936 | R | A | -2.2529 | |
| 937 | L | A | -1.2778 | |
| 938 | A | A | -1.3448 | |
| 939 | D | A | -2.5167 | |
| 940 | F | A | 0.0000 | |
| 941 | G | A | -1.2381 | |
| 942 | A | A | -1.2142 | |
| 943 | L | A | 0.0000 | |
| 944 | A | A | 0.0000 | |
| 945 | R | A | -2.0239 | |
| 946 | A | A | -0.8213 | |
| 947 | L | A | -0.5769 | |
| 948 | D | A | 0.0000 | |
| 949 | P | A | -0.9711 | |
| 950 | A | A | -0.7988 | |
| 951 | G | A | -1.0486 | |
| 952 | K | A | -0.8907 | |
| 953 | F | A | 0.0000 | |
| 954 | T | A | -0.8401 | |
| 955 | N | A | 0.0000 | |
| 956 | A | A | -0.8756 | |
| 957 | F | A | 0.0000 | |
| 958 | V | A | 0.0000 | |
| 959 | R | A | -1.8345 | |
| 960 | G | A | -1.0842 | |
| 961 | V | A | 0.0000 | |
| 962 | L | A | -0.7490 | |
| 963 | A | A | -0.9884 | |
| 964 | G | A | -1.1384 | |
| 965 | G | A | -1.0231 | |
| 966 | G | A | -1.1253 | |
| 967 | S | A | -0.9979 | |
| 968 | G | A | -1.1644 | |
| 969 | G | A | -1.1490 | |
| 970 | G | A | -1.1323 | |
| 971 | S | A | -0.9748 | |
| 972 | G | A | -1.2445 | |
| 973 | G | A | -1.3441 | |
| 974 | G | A | -1.4848 | |
| 975 | S | A | -1.1757 | |
| 976 | G | A | -1.7340 | |
| 977 | E | A | -2.4091 | |
| 978 | M | A | -1.2963 | |
| 979 | W | A | 0.0000 | |
| 980 | H | A | -2.1954 | |
| 981 | E | A | -2.9006 | |
| 982 | G | A | 0.0000 | |
| 983 | L | A | 0.0000 | |
| 984 | E | A | -2.7470 | |
| 985 | E | A | -2.3684 | |
| 986 | A | A | 0.0000 | |
| 987 | S | A | -1.4453 | |
| 988 | R | A | -2.4234 | |
| 989 | L | A | 0.0000 | |
| 990 | Y | A | -1.2121 | |
| 991 | F | A | 0.0676 | |
| 992 | G | A | -1.6618 | |
| 993 | E | A | -2.8942 | |
| 994 | R | A | -2.8726 | |
| 995 | N | A | -2.4280 | |
| 996 | V | A | -1.4539 | |
| 997 | K | A | -2.3504 | |
| 998 | G | A | -2.1561 | |
| 999 | M | A | 0.0000 | |
| 1000 | F | A | 0.0000 | |
| 1001 | E | A | -2.6364 | |
| 1002 | V | A | -1.8139 | |
| 1003 | L | A | 0.0000 | |
| 1004 | E | A | -2.3585 | |
| 1005 | P | A | -1.4607 | |
| 1006 | L | A | 0.0000 | |
| 1007 | H | A | 0.0000 | |
| 1008 | A | A | -1.6013 | |
| 1009 | M | A | -1.5116 | |
| 1010 | M | A | 0.0000 | |
| 1011 | E | A | -2.6694 | |
| 1012 | R | A | -2.9275 | |
| 1013 | G | A | -2.0362 | |
| 1014 | P | A | -1.7670 | |
| 1015 | Q | A | -1.5997 | |
| 1016 | T | A | -0.6407 | |
| 1017 | L | A | 0.2275 | |
| 1018 | K | A | -1.6536 | |
| 1019 | E | A | -1.4595 | |
| 1020 | T | A | -1.0590 | |
| 1021 | S | A | -1.0754 | |
| 1022 | F | A | 0.0000 | |
| 1023 | N | A | -1.4863 | |
| 1024 | Q | A | -1.9918 | |
| 1025 | A | A | -1.0935 | |
| 1026 | Y | A | 0.0000 | |
| 1027 | G | A | -1.5351 | |
| 1028 | R | A | -2.2792 | |
| 1029 | D | A | 0.0000 | |
| 1030 | L | A | 0.0000 | |
| 1031 | M | A | -1.4930 | |
| 1032 | E | A | -2.3100 | |
| 1033 | A | A | 0.0000 | |
| 1034 | Q | A | -2.0946 | |
| 1035 | E | A | -2.9178 | |
| 1036 | W | A | -2.2113 | |
| 1037 | C | A | 0.0000 | |
| 1038 | R | A | -3.1435 | |
| 1039 | K | A | -2.5996 | |
| 1040 | Y | A | -1.6211 | |
| 1041 | M | A | -1.1951 | |
| 1042 | K | A | -2.3122 | |
| 1043 | S | A | -1.5934 | |
| 1044 | G | A | -1.1278 | |
| 1045 | N | A | -0.7436 | |
| 1046 | V | A | 0.5213 | |
| 1047 | K | A | -1.3214 | |
| 1048 | D | A | -1.5696 | |
| 1049 | L | A | 0.0000 | |
| 1050 | T | A | -1.0185 | |
| 1051 | Q | A | -1.7699 | |
| 1052 | A | A | 0.0000 | |
| 1053 | W | A | 0.0000 | |
| 1054 | D | A | -1.6204 | |
| 1055 | L | A | -0.8883 | |
| 1056 | Y | A | 0.0000 | |
| 1057 | Y | A | -0.2155 | |
| 1058 | H | A | -0.9661 | |
| 1059 | V | A | 0.0000 | |
| 1060 | F | A | -1.5508 | |
| 1061 | R | A | -2.3498 | |
| 1062 | R | A | -2.0662 | |
| 1063 | I | A | -1.9113 | |
| 1064 | S | A | -2.3446 | |
| 1065 | K | A | -3.0323 | |
| 1066 | Q | A | -2.6104 | |
| 1067 | G | A | -1.9540 | |
| 1068 | S | A | -1.3035 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.597 | 4.5668 | View | CSV | PDB |
| 4.5 | -0.6645 | 4.5676 | View | CSV | PDB |
| 5.0 | -0.7467 | 4.5698 | View | CSV | PDB |
| 5.5 | -0.8291 | 4.5749 | View | CSV | PDB |
| 6.0 | -0.8964 | 4.5835 | View | CSV | PDB |
| 6.5 | -0.9364 | 4.5948 | View | CSV | PDB |
| 7.0 | -0.9468 | 4.6073 | View | CSV | PDB |
| 7.5 | -0.9359 | 4.6202 | View | CSV | PDB |
| 8.0 | -0.9125 | 4.6331 | View | CSV | PDB |
| 8.5 | -0.8799 | 4.6457 | View | CSV | PDB |
| 9.0 | -0.8382 | 4.6572 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine