| Chain sequence(s) |
A: ETIPLQTLRCYNDYTSHITCRWADTQDAQRLVNVTLIRRVNEDLLEPVSCDLSDDMPWSACPHPRCVPRRCVIPCQSFVVTDVDDRPLGTRLTVTLTQHVQPPEPRDLTWLSPYKRLQDSWEDAAILNTSQPEHLMPSSTYVARVRTRLAPGSSGRPSKWS
H: VQLLESGGGLVQPGGSLRLSCAASGFTFPWYRVHWVRQAPGKGLEWVSSIRSSGGFPYYNYKVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARFYDSFFDIWGQGTMVTVSSASTKGPSVFPLATAALGCLVKDYPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTK B: DEAQPQNLECFFDGAAVLSCSWEVRKEVASSVSFGLFYKPSPGEEECSPVLRESLHTRHHCQIPVPDHGQYIVSVQPIKSSVNIQMAPPSLQVTKDGSYSLRWETMKMRYEHIDHTFEIQYRKDTATWKDSKTETLQNAHSMALPALEPSTRYWARVRVRTSRTGYNGIWSEWSEARSWDT L: DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQANSFPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHSSPVTKSNR input PDB |
| Selected Chain(s) | A,H,B,L |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:44)
[INFO] Main: Simulation completed successfully. (00:08:51)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 26 | E | A | -1.6747 | |
| 27 | T | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | L | A | 0.8549 | |
| 31 | Q | A | -0.3522 | |
| 32 | T | A | 0.0000 | |
| 33 | L | A | 0.1064 | |
| 34 | R | A | -0.4631 | |
| 35 | C | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | N | A | 0.0000 | |
| 38 | D | A | -0.2149 | |
| 39 | Y | A | 0.0000 | |
| 40 | T | A | -0.6628 | |
| 41 | S | A | -0.6151 | |
| 42 | H | A | -0.1143 | |
| 43 | I | A | 0.0000 | |
| 44 | T | A | 0.1030 | |
| 45 | C | A | 0.0000 | |
| 46 | R | A | -1.1196 | |
| 47 | W | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | D | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | Q | A | -2.0250 | |
| 52 | D | A | -2.1015 | |
| 53 | A | A | 0.0000 | |
| 54 | Q | A | -1.9651 | |
| 55 | R | A | -2.6509 | |
| 56 | L | A | -2.2998 | |
| 57 | V | A | -2.0599 | |
| 58 | N | A | -1.6985 | |
| 59 | V | A | -0.4265 | |
| 60 | T | A | 0.1732 | |
| 61 | L | A | 1.0812 | |
| 62 | I | A | 1.3100 | |
| 63 | R | A | -0.6353 | |
| 64 | R | A | -2.1255 | |
| 65 | V | A | -1.0066 | |
| 66 | N | A | -1.7631 | |
| 67 | E | A | -2.4913 | |
| 68 | D | A | -2.1546 | |
| 69 | L | A | -0.4896 | |
| 70 | L | A | -0.3296 | |
| 71 | E | A | -1.0362 | |
| 72 | P | A | -0.4449 | |
| 73 | V | A | 0.3979 | |
| 74 | S | A | -0.2369 | |
| 75 | C | A | -0.5171 | |
| 76 | D | A | -1.4047 | |
| 77 | L | A | -0.4630 | |
| 78 | S | A | -1.6054 | |
| 79 | D | A | -2.5438 | |
| 80 | D | A | -2.6852 | |
| 81 | M | A | -1.3613 | |
| 82 | P | A | -0.5586 | |
| 83 | W | A | -0.1448 | |
| 84 | S | A | -0.1653 | |
| 85 | A | A | 0.0079 | |
| 86 | C | A | -0.2921 | |
| 87 | P | A | -0.6171 | |
| 88 | H | A | -1.1766 | |
| 89 | P | A | -1.5095 | |
| 90 | R | A | -2.2115 | |
| 91 | C | A | -0.9440 | |
| 92 | V | A | -0.4097 | |
| 93 | P | A | -1.1791 | |
| 94 | R | A | -1.4665 | |
| 95 | R | A | -2.1135 | |
| 96 | C | A | 0.0000 | |
| 97 | V | A | 1.2076 | |
| 98 | I | A | 1.1238 | |
| 99 | P | A | 0.0627 | |
| 100 | C | A | -0.5417 | |
| 101 | Q | A | -1.2643 | |
| 102 | S | A | -0.6952 | |
| 103 | F | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | T | A | -0.1188 | |
| 107 | D | A | -0.1864 | |
| 108 | V | A | 0.4989 | |
| 109 | D | A | -1.3131 | |
| 116 | D | A | -2.6994 | |
| 117 | R | A | -2.6453 | |
| 118 | P | A | -1.2356 | |
| 119 | L | A | -0.6350 | |
| 120 | G | A | -0.6175 | |
| 121 | T | A | -1.0890 | |
| 122 | R | A | -1.7074 | |
| 123 | L | A | -0.7964 | |
| 124 | T | A | -0.5499 | |
| 125 | V | A | 0.0000 | |
| 126 | T | A | -0.8623 | |
| 127 | L | A | -0.9900 | |
| 128 | T | A | -0.8634 | |
| 129 | Q | A | -1.5781 | |
| 130 | H | A | -1.2626 | |
| 131 | V | A | -1.0171 | |
| 132 | Q | A | -1.8802 | |
| 133 | P | A | -1.6305 | |
| 134 | P | A | -1.6712 | |
| 135 | E | A | -1.9115 | |
| 136 | P | A | -1.9872 | |
| 137 | R | A | -2.8829 | |
| 138 | D | A | -2.4196 | |
| 150 | L | A | 1.0263 | |
| 151 | T | A | -0.0847 | |
| 152 | W | A | -0.5678 | |
| 164 | L | A | 1.1025 | |
| 165 | S | A | 0.3248 | |
| 166 | P | A | -0.0798 | |
| 175 | Y | A | 0.8335 | |
| 176 | K | A | -0.7008 | |
| 177 | R | A | -0.6924 | |
| 178 | L | A | 0.5173 | |
| 179 | Q | A | -1.1289 | |
| 180 | D | A | -1.7923 | |
| 181 | S | A | -1.5910 | |
| 182 | W | A | -1.3666 | |
| 183 | E | A | -2.6486 | |
| 184 | D | A | -2.3905 | |
| 185 | A | A | -0.9213 | |
| 186 | A | A | 0.5533 | |
| 187 | I | A | 2.5979 | |
| 188 | L | A | 2.5226 | |
| 191 | N | A | -1.3697 | |
| 192 | T | A | -1.0822 | |
| 193 | S | A | -0.6447 | |
| 194 | Q | A | -0.8591 | |
| 199 | P | A | -1.0440 | |
| 200 | E | A | -2.1262 | |
| 201 | H | A | -1.6156 | |
| 202 | L | A | -0.3655 | |
| 203 | M | A | 0.3791 | |
| 204 | P | A | -0.1092 | |
| 205 | S | A | 0.0088 | |
| 206 | S | A | 0.1074 | |
| 207 | T | A | 0.3955 | |
| 208 | Y | A | 0.8081 | |
| 209 | V | A | 1.1212 | |
| 210 | A | A | 0.7705 | |
| 211 | R | A | 0.0569 | |
| 212 | V | A | 0.1311 | |
| 213 | R | A | -1.5435 | |
| 214 | T | A | -1.8869 | |
| 215 | R | A | -2.6299 | |
| 216 | L | A | -1.1425 | |
| 217 | A | A | -0.7264 | |
| 218 | P | A | -0.7109 | |
| 219 | G | A | -0.6474 | |
| 220 | S | A | -0.4753 | |
| 223 | S | A | -1.4906 | |
| 224 | G | A | -1.7358 | |
| 225 | R | A | -2.7255 | |
| 226 | P | A | -2.2779 | |
| 227 | S | A | 0.0000 | |
| 228 | K | A | -2.1176 | |
| 229 | W | A | -0.4061 | |
| 230 | S | A | -0.7982 | |
| 241 | D | B | -2.9187 | |
| 242 | E | B | -2.8483 | |
| 243 | A | B | 0.0000 | |
| 244 | Q | B | -1.5722 | |
| 245 | P | B | 0.0000 | |
| 246 | Q | B | -2.1373 | |
| 247 | N | B | -2.1656 | |
| 248 | L | B | -1.5246 | |
| 249 | E | B | -1.5598 | |
| 250 | C | B | 0.0000 | |
| 251 | F | B | -0.6930 | |
| 252 | F | B | -0.3521 | |
| 253 | D | B | -0.8377 | |
| 254 | G | B | -0.4993 | |
| 255 | A | B | -0.3284 | |
| 256 | A | B | -0.2567 | |
| 257 | V | B | -0.2118 | |
| 258 | L | B | 0.0000 | |
| 259 | S | B | -0.6189 | |
| 260 | C | B | 0.0000 | |
| 261 | S | B | 0.0000 | |
| 262 | W | B | 0.0000 | |
| 263 | E | B | -2.7542 | |
| 264 | V | B | 0.0000 | |
| 265 | R | B | -1.9156 | |
| 266 | K | B | -1.6789 | |
| 267 | E | B | 0.0000 | |
| 268 | V | B | 0.0000 | |
| 269 | A | B | -0.5667 | |
| 270 | S | B | -0.7578 | |
| 271 | S | B | 0.0000 | |
| 272 | V | B | 0.1867 | |
| 273 | S | B | -0.2676 | |
| 274 | F | B | 0.0663 | |
| 275 | G | B | -0.5888 | |
| 276 | L | B | 0.0000 | |
| 277 | F | B | -1.1531 | |
| 278 | Y | B | -1.1781 | |
| 279 | K | B | -1.7033 | |
| 280 | P | B | -1.6494 | |
| 281 | S | B | -1.2327 | |
| 282 | P | B | -0.9411 | |
| 285 | G | B | -1.7941 | |
| 286 | E | B | -2.9167 | |
| 287 | E | B | -3.2467 | |
| 288 | E | B | -2.4836 | |
| 289 | C | B | 0.0000 | |
| 290 | S | B | -0.5272 | |
| 291 | P | B | -0.2201 | |
| 292 | V | B | 0.0393 | |
| 293 | L | B | -0.6313 | |
| 294 | R | B | -2.7186 | |
| 295 | E | B | -3.1796 | |
| 299 | S | B | -0.5484 | |
| 300 | L | B | 0.2184 | |
| 301 | H | B | -1.5639 | |
| 302 | T | B | 0.0000 | |
| 303 | R | B | -3.3179 | |
| 304 | H | B | -1.6958 | |
| 305 | H | B | -1.2333 | |
| 306 | C | B | 0.0000 | |
| 307 | Q | B | -0.8702 | |
| 308 | I | B | 0.0000 | |
| 309 | P | B | -0.4915 | |
| 310 | V | B | 0.0000 | |
| 311 | P | B | -1.1911 | |
| 312 | D | B | -1.9824 | |
| 316 | H | B | -2.0505 | |
| 317 | G | B | -1.5910 | |
| 318 | Q | B | -1.5664 | |
| 319 | Y | B | 0.0000 | |
| 320 | I | B | -0.5764 | |
| 321 | V | B | 0.0000 | |
| 322 | S | B | 0.0000 | |
| 323 | V | B | 0.0000 | |
| 324 | Q | B | -0.6295 | |
| 325 | P | B | -0.3566 | |
| 332 | I | B | 0.4467 | |
| 333 | K | B | -0.6851 | |
| 334 | S | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | V | B | -0.2287 | |
| 337 | N | B | -0.2997 | |
| 338 | I | B | 0.0000 | |
| 339 | Q | B | -0.1086 | |
| 340 | M | B | 0.0000 | |
| 341 | A | B | -0.2728 | |
| 342 | P | B | -0.9587 | |
| 343 | P | B | 0.0000 | |
| 344 | S | B | -1.4258 | |
| 345 | L | B | 0.0000 | |
| 346 | Q | B | -2.0148 | |
| 347 | V | B | -0.7543 | |
| 348 | T | B | -1.1488 | |
| 349 | K | B | -1.8597 | |
| 350 | D | B | -2.4624 | |
| 351 | G | B | -1.6149 | |
| 353 | S | B | -1.1347 | |
| 354 | Y | B | -0.9005 | |
| 355 | S | B | -0.9536 | |
| 356 | L | B | 0.0000 | |
| 357 | R | B | -2.0528 | |
| 358 | W | B | 0.0000 | |
| 359 | E | B | -2.5315 | |
| 360 | T | B | -1.0194 | |
| 361 | M | B | -0.2893 | |
| 362 | K | B | -1.9183 | |
| 363 | M | B | 0.0000 | |
| 364 | R | B | -1.4653 | |
| 365 | Y | B | 0.0000 | |
| 366 | E | B | -2.5199 | |
| 367 | H | B | -1.3656 | |
| 368 | I | B | 0.0000 | |
| 369 | D | B | -1.6866 | |
| 370 | H | B | 0.0000 | |
| 371 | T | B | -1.2314 | |
| 372 | F | B | 0.0000 | |
| 373 | E | B | -0.7656 | |
| 374 | I | B | 0.0000 | |
| 375 | Q | B | 0.0000 | |
| 376 | Y | B | 0.0000 | |
| 377 | R | B | -1.6584 | |
| 378 | K | B | -1.8463 | |
| 379 | D | B | -1.4409 | |
| 380 | T | B | -0.7568 | |
| 381 | A | B | -0.9321 | |
| 382 | T | B | -1.2599 | |
| 383 | W | B | -1.6277 | |
| 384 | K | B | -2.6772 | |
| 385 | D | B | -2.9088 | |
| 386 | S | B | -2.3181 | |
| 387 | K | B | -2.4065 | |
| 388 | T | B | -1.7202 | |
| 389 | E | B | -1.2756 | |
| 390 | T | B | -1.0091 | |
| 391 | L | B | -0.9476 | |
| 392 | Q | B | -1.8002 | |
| 393 | N | B | -1.9215 | |
| 394 | A | B | -1.5278 | |
| 395 | H | B | -1.7536 | |
| 396 | S | B | -1.3355 | |
| 397 | M | B | -0.3223 | |
| 398 | A | B | -0.4357 | |
| 399 | L | B | 0.0000 | |
| 400 | P | B | -0.0975 | |
| 401 | A | B | -0.1821 | |
| 402 | L | B | -0.5503 | |
| 403 | E | B | -1.9551 | |
| 404 | P | B | -1.4829 | |
| 405 | S | B | -1.5732 | |
| 406 | T | B | -2.1443 | |
| 407 | R | B | -3.0904 | |
| 408 | Y | B | -1.8632 | |
| 409 | W | B | -1.0032 | |
| 410 | A | B | 0.0000 | |
| 411 | R | B | -0.8813 | |
| 412 | V | B | 0.0000 | |
| 413 | R | B | -0.8422 | |
| 414 | V | B | 0.0000 | |
| 415 | R | B | -0.8826 | |
| 416 | T | B | 0.0000 | |
| 417 | S | B | -1.0216 | |
| 418 | R | B | -1.3344 | |
| 419 | T | B | -0.7528 | |
| 420 | G | B | 0.0000 | |
| 421 | Y | B | 0.0000 | |
| 422 | N | B | -1.1875 | |
| 423 | G | B | 0.0000 | |
| 424 | I | B | 1.0016 | |
| 425 | W | B | 0.1263 | |
| 426 | S | B | 0.0000 | |
| 427 | E | B | -1.5294 | |
| 428 | W | B | -1.0173 | |
| 429 | S | B | 0.0000 | |
| 430 | E | B | -2.3751 | |
| 431 | A | B | -1.4754 | |
| 432 | R | B | -1.5533 | |
| 433 | S | B | -1.5341 | |
| 434 | W | B | 0.0000 | |
| 435 | D | B | -2.8048 | |
| 436 | T | B | -1.5711 | |
| 2 | V | H | 1.1298 | |
| 3 | Q | H | -0.1246 | |
| 4 | L | H | 0.0000 | |
| 5 | L | H | 0.8377 | |
| 6 | E | H | 0.1618 | |
| 7 | S | H | -0.5000 | |
| 8 | G | H | -0.9123 | |
| 9 | G | H | -0.6557 | |
| 10 | G | H | -0.1871 | |
| 11 | L | H | 0.3884 | |
| 12 | V | H | -0.4236 | |
| 13 | Q | H | -1.5491 | |
| 14 | P | H | -1.6421 | |
| 15 | G | H | -1.4979 | |
| 16 | G | H | -1.2246 | |
| 17 | S | H | -1.4979 | |
| 18 | L | H | -1.2197 | |
| 19 | R | H | -2.3123 | |
| 20 | L | H | 0.0000 | |
| 21 | S | H | -0.4987 | |
| 22 | C | H | 0.0000 | |
| 23 | A | H | 0.0111 | |
| 24 | A | H | 0.0857 | |
| 25 | S | H | 0.2074 | |
| 26 | G | H | 0.0479 | |
| 27 | F | H | 0.4695 | |
| 28 | T | H | 0.3143 | |
| 29 | F | H | 0.0783 | |
| 30 | P | H | -0.3631 | |
| 31 | W | H | -0.3455 | |
| 32 | Y | H | -0.1021 | |
| 33 | R | H | 0.0000 | |
| 34 | V | H | 0.1444 | |
| 35 | H | H | 0.0000 | |
| 36 | W | H | 0.0000 | |
| 37 | V | H | 0.0000 | |
| 38 | R | H | 0.0000 | |
| 39 | Q | H | -0.8268 | |
| 40 | A | H | -1.2350 | |
| 41 | P | H | -0.8758 | |
| 42 | G | H | -1.4695 | |
| 43 | K | H | -2.3275 | |
| 44 | G | H | -1.6514 | |
| 45 | L | H | -1.2479 | |
| 46 | E | H | -1.6812 | |
| 47 | W | H | 0.0000 | |
| 48 | V | H | 0.0000 | |
| 49 | S | H | 0.0000 | |
| 50 | S | H | 0.0000 | |
| 51 | I | H | 0.0000 | |
| 52 | R | H | -0.7133 | |
| 53 | S | H | -1.0443 | |
| 54 | S | H | -0.9932 | |
| 55 | G | H | -0.9725 | |
| 56 | G | H | -0.2669 | |
| 57 | F | H | 0.3963 | |
| 58 | P | H | 0.2398 | |
| 59 | Y | H | 0.3961 | |
| 60 | Y | H | -0.3482 | |
| 61 | N | H | -0.9107 | |
| 62 | Y | H | -0.4160 | |
| 63 | K | H | -2.0802 | |
| 64 | V | H | 0.0000 | |
| 65 | K | H | -2.1661 | |
| 66 | G | H | -1.7764 | |
| 67 | R | H | -1.8389 | |
| 68 | F | H | 0.0000 | |
| 69 | T | H | -0.7549 | |
| 70 | I | H | 0.0000 | |
| 71 | S | H | -1.1396 | |
| 72 | R | H | -2.2256 | |
| 73 | D | H | -2.4336 | |
| 74 | N | H | -2.4854 | |
| 75 | S | H | -2.0678 | |
| 76 | K | H | -2.3998 | |
| 77 | N | H | -1.9095 | |
| 78 | T | H | -1.3370 | |
| 79 | L | H | -0.8789 | |
| 80 | Y | H | -0.7859 | |
| 81 | L | H | 0.0000 | |
| 82 | Q | H | -1.7818 | |
| 83 | M | H | 0.0000 | |
| 84 | N | H | -2.0291 | |
| 85 | S | H | -1.5862 | |
| 86 | L | H | 0.0000 | |
| 87 | R | H | -2.7494 | |
| 88 | A | H | -1.9516 | |
| 89 | E | H | -2.6257 | |
| 90 | D | H | 0.0000 | |
| 91 | T | H | -0.8125 | |
| 92 | A | H | 0.0000 | |
| 93 | V | H | 0.0459 | |
| 94 | Y | H | 0.0000 | |
| 95 | Y | H | 0.0000 | |
| 96 | C | H | 0.0000 | |
| 97 | A | H | 0.0000 | |
| 98 | R | H | 0.0000 | |
| 99 | F | H | 0.0000 | |
| 100 | Y | H | 0.0442 | |
| 101 | D | H | 0.0000 | |
| 102 | S | H | 0.0000 | |
| 103 | F | H | 0.0000 | |
| 104 | F | H | 0.0000 | |
| 105 | D | H | -0.8478 | |
| 106 | I | H | 0.0000 | |
| 107 | W | H | -0.5417 | |
| 108 | G | H | 0.0000 | |
| 109 | Q | H | -1.4002 | |
| 110 | G | H | -0.6057 | |
| 111 | T | H | -0.2149 | |
| 112 | M | H | 0.0276 | |
| 113 | V | H | 0.0000 | |
| 114 | T | H | -0.1856 | |
| 115 | V | H | 0.0000 | |
| 116 | S | H | -0.8724 | |
| 117 | S | H | -0.6980 | |
| 118 | A | H | -0.4645 | |
| 119 | S | H | -0.6756 | |
| 120 | T | H | -1.1162 | |
| 121 | K | H | -2.0268 | |
| 122 | G | H | -1.4449 | |
| 123 | P | H | -0.8072 | |
| 124 | S | H | -0.5848 | |
| 125 | V | H | 0.0753 | |
| 126 | F | H | 0.0000 | |
| 127 | P | H | -0.0803 | |
| 128 | L | H | 0.0000 | |
| 129 | A | H | 0.1465 | |
| 139 | T | H | -0.1204 | |
| 140 | A | H | 0.1338 | |
| 141 | A | H | 0.3548 | |
| 142 | L | H | 0.4808 | |
| 143 | G | H | 0.0000 | |
| 144 | C | H | 0.0000 | |
| 145 | L | H | 0.0000 | |
| 146 | V | H | 0.0000 | |
| 147 | K | H | -0.6850 | |
| 148 | D | H | -0.8660 | |
| 149 | Y | H | 0.0000 | |
| 151 | P | H | -0.4032 | |
| 152 | E | H | -0.3840 | |
| 153 | P | H | -0.6398 | |
| 154 | V | H | -0.4517 | |
| 155 | T | H | -0.5778 | |
| 156 | V | H | -0.6082 | |
| 157 | S | H | -0.8244 | |
| 158 | W | H | 0.0000 | |
| 159 | N | H | -0.9128 | |
| 160 | S | H | -0.9283 | |
| 161 | G | H | -0.7623 | |
| 162 | A | H | -0.3160 | |
| 163 | L | H | -0.1167 | |
| 164 | T | H | -0.2645 | |
| 165 | S | H | -0.2430 | |
| 166 | G | H | -0.3701 | |
| 167 | V | H | -0.0178 | |
| 168 | H | H | -0.5296 | |
| 169 | T | H | -0.1930 | |
| 170 | F | H | 0.0000 | |
| 171 | P | H | -0.2137 | |
| 172 | A | H | 0.5228 | |
| 173 | V | H | 0.7579 | |
| 174 | L | H | 1.5230 | |
| 175 | Q | H | 0.2052 | |
| 176 | S | H | -0.2994 | |
| 177 | S | H | -0.1833 | |
| 178 | G | H | 0.0705 | |
| 179 | L | H | 0.3066 | |
| 180 | Y | H | 0.6747 | |
| 181 | S | H | 0.0000 | |
| 182 | L | H | 0.0000 | |
| 183 | S | H | -0.0339 | |
| 184 | S | H | 0.0000 | |
| 185 | V | H | 0.0000 | |
| 186 | V | H | 0.0000 | |
| 187 | T | H | -0.1313 | |
| 188 | V | H | 0.0000 | |
| 189 | P | H | -0.0270 | |
| 190 | S | H | 0.0448 | |
| 191 | S | H | 0.0064 | |
| 192 | S | H | -0.0470 | |
| 193 | L | H | 0.8300 | |
| 194 | G | H | -0.3031 | |
| 195 | T | H | -0.7441 | |
| 196 | K | H | -1.5830 | |
| 197 | T | H | -0.8179 | |
| 198 | Y | H | -0.3995 | |
| 199 | T | H | -0.6363 | |
| 200 | C | H | -0.7464 | |
| 201 | N | H | -1.8749 | |
| 202 | V | H | 0.0000 | |
| 203 | D | H | -2.2943 | |
| 204 | H | H | 0.0000 | |
| 205 | K | H | -2.7248 | |
| 206 | P | H | -1.6101 | |
| 207 | S | H | -2.0358 | |
| 208 | N | H | -2.5344 | |
| 209 | T | H | -2.1194 | |
| 210 | K | H | -2.7693 | |
| 1 | D | L | -1.9876 | |
| 2 | I | L | -1.5745 | |
| 3 | Q | L | -2.2222 | |
| 4 | M | L | 0.0000 | |
| 5 | T | L | -1.3147 | |
| 6 | Q | L | 0.0000 | |
| 7 | S | L | -0.6748 | |
| 8 | P | L | -0.6024 | |
| 9 | S | L | -0.9008 | |
| 10 | S | L | -1.0319 | |
| 11 | V | L | -0.7184 | |
| 12 | S | L | -1.2040 | |
| 13 | A | L | -1.1718 | |
| 14 | S | L | -1.3092 | |
| 15 | V | L | -0.6165 | |
| 16 | G | L | -0.9648 | |
| 17 | D | L | -1.5820 | |
| 18 | R | L | -2.2504 | |
| 19 | V | L | 0.0000 | |
| 20 | T | L | -0.4620 | |
| 21 | I | L | 0.0000 | |
| 22 | T | L | -0.9127 | |
| 23 | C | L | 0.0000 | |
| 24 | R | L | -2.8363 | |
| 25 | A | L | -2.1188 | |
| 26 | S | L | -1.8522 | |
| 27 | Q | L | -2.1872 | |
| 28 | G | L | -1.6513 | |
| 29 | I | L | 0.0000 | |
| 30 | S | L | -0.6560 | |
| 31 | S | L | -0.4283 | |
| 32 | W | L | 0.0000 | |
| 33 | L | L | 0.0000 | |
| 34 | A | L | 0.0000 | |
| 35 | W | L | 0.0000 | |
| 36 | Y | L | 0.0000 | |
| 37 | Q | L | -1.2141 | |
| 38 | Q | L | 0.0000 | |
| 39 | K | L | -3.0626 | |
| 40 | P | L | -2.0013 | |
| 41 | G | L | -1.9919 | |
| 42 | K | L | -2.8989 | |
| 43 | A | L | -1.9974 | |
| 44 | P | L | 0.0000 | |
| 45 | K | L | -2.0812 | |
| 46 | L | L | 0.0000 | |
| 47 | L | L | 0.0000 | |
| 48 | I | L | 0.0000 | |
| 49 | Y | L | 0.0946 | |
| 50 | A | L | -0.0064 | |
| 51 | A | L | 0.0000 | |
| 52 | S | L | -0.2546 | |
| 53 | S | L | -0.0080 | |
| 54 | L | L | 0.1430 | |
| 55 | Q | L | -0.3882 | |
| 56 | S | L | -0.3918 | |
| 57 | G | L | -0.5071 | |
| 58 | V | L | -0.3503 | |
| 59 | P | L | -0.3899 | |
| 60 | S | L | -0.4854 | |
| 61 | R | L | -0.8986 | |
| 62 | F | L | 0.0000 | |
| 63 | S | L | -0.3126 | |
| 64 | G | L | -0.2037 | |
| 65 | S | L | -0.6385 | |
| 66 | G | L | -0.9967 | |
| 67 | S | L | -1.0445 | |
| 68 | G | L | -1.4083 | |
| 69 | T | L | -2.0731 | |
| 70 | D | L | -2.5668 | |
| 71 | F | L | 0.0000 | |
| 72 | T | L | -0.8548 | |
| 73 | L | L | 0.0000 | |
| 74 | T | L | -0.5910 | |
| 75 | I | L | 0.0000 | |
| 76 | S | L | -1.3286 | |
| 77 | S | L | -1.3543 | |
| 78 | L | L | 0.0000 | |
| 79 | Q | L | -1.6488 | |
| 80 | P | L | -2.2672 | |
| 81 | E | L | -2.8146 | |
| 82 | D | L | 0.0000 | |
| 83 | F | L | -1.8382 | |
| 84 | A | L | 0.0000 | |
| 85 | T | L | 0.0000 | |
| 86 | Y | L | 0.0000 | |
| 87 | Y | L | 0.0000 | |
| 88 | C | L | 0.0000 | |
| 89 | Q | L | 0.0000 | |
| 90 | Q | L | 0.0000 | |
| 91 | A | L | 0.0000 | |
| 92 | N | L | -0.6196 | |
| 93 | S | L | -0.2813 | |
| 94 | F | L | -0.0402 | |
| 95 | P | L | -0.2573 | |
| 96 | I | L | 0.0000 | |
| 97 | T | L | -0.7633 | |
| 98 | F | L | 0.0000 | |
| 99 | G | L | 0.0000 | |
| 100 | Q | L | -1.7446 | |
| 101 | G | L | -1.3879 | |
| 102 | T | L | 0.0000 | |
| 103 | R | L | -2.3958 | |
| 104 | L | L | 0.0000 | |
| 105 | E | L | -1.7968 | |
| 106 | I | L | 0.0000 | |
| 107 | K | L | -1.8042 | |
| 108 | R | L | -1.0880 | |
| 109 | T | L | 0.1097 | |
| 110 | V | L | 1.2877 | |
| 111 | A | L | 0.5115 | |
| 112 | A | L | 0.0448 | |
| 113 | P | L | -0.4258 | |
| 114 | S | L | -0.2478 | |
| 115 | V | L | 0.2365 | |
| 116 | F | L | 0.4099 | |
| 117 | I | L | 0.3742 | |
| 118 | F | L | 0.0000 | |
| 119 | P | L | -0.4129 | |
| 120 | P | L | -0.6891 | |
| 121 | S | L | -1.7194 | |
| 122 | D | L | -3.2802 | |
| 123 | E | L | -3.3354 | |
| 124 | Q | L | 0.0000 | |
| 125 | L | L | -2.2696 | |
| 126 | K | L | -3.1596 | |
| 127 | S | L | -1.9883 | |
| 128 | G | L | -1.4458 | |
| 129 | T | L | -1.0264 | |
| 130 | A | L | 0.0000 | |
| 131 | S | L | 0.0000 | |
| 132 | V | L | 0.0000 | |
| 133 | V | L | 0.0000 | |
| 134 | C | L | 0.0000 | |
| 135 | L | L | 0.0000 | |
| 136 | L | L | 0.0000 | |
| 137 | N | L | -0.5958 | |
| 138 | N | L | -1.1415 | |
| 139 | F | L | 0.0000 | |
| 140 | Y | L | -0.8185 | |
| 141 | P | L | -1.5716 | |
| 142 | R | L | -2.8717 | |
| 143 | E | L | -3.2287 | |
| 144 | A | L | -2.3598 | |
| 145 | K | L | -2.6095 | |
| 146 | V | L | -1.0505 | |
| 147 | Q | L | -0.6930 | |
| 148 | W | L | 0.0000 | |
| 149 | K | L | -1.1432 | |
| 150 | V | L | 0.0000 | |
| 151 | D | L | -2.2417 | |
| 152 | N | L | -1.6875 | |
| 153 | A | L | -0.5912 | |
| 154 | L | L | 0.4409 | |
| 155 | Q | L | -0.6670 | |
| 156 | S | L | -0.5345 | |
| 157 | G | L | -1.1098 | |
| 158 | N | L | -1.7366 | |
| 159 | S | L | -1.4988 | |
| 160 | Q | L | -1.1229 | |
| 161 | E | L | -1.7228 | |
| 162 | S | L | -0.4843 | |
| 163 | V | L | -0.5994 | |
| 164 | T | L | -0.7977 | |
| 165 | E | L | -1.5626 | |
| 166 | Q | L | 0.0000 | |
| 167 | D | L | -1.9484 | |
| 168 | S | L | -2.3724 | |
| 169 | K | L | -2.9539 | |
| 170 | D | L | -2.3482 | |
| 171 | S | L | 0.0000 | |
| 172 | T | L | 0.0000 | |
| 173 | Y | L | 0.0000 | |
| 174 | S | L | 0.0000 | |
| 175 | L | L | -0.7253 | |
| 176 | S | L | 0.0000 | |
| 177 | S | L | 0.0000 | |
| 178 | T | L | 0.0000 | |
| 179 | L | L | 0.0000 | |
| 180 | T | L | -0.5710 | |
| 181 | L | L | -0.6730 | |
| 182 | S | L | -1.0934 | |
| 183 | K | L | -2.1999 | |
| 184 | A | L | -1.7903 | |
| 185 | D | L | -2.3457 | |
| 186 | Y | L | -2.4674 | |
| 187 | E | L | -3.7615 | |
| 188 | K | L | -3.4902 | |
| 189 | H | L | -3.3875 | |
| 190 | K | L | -3.7159 | |
| 191 | V | L | -2.4506 | |
| 192 | Y | L | -1.4893 | |
| 193 | A | L | -1.0543 | |
| 194 | C | L | 0.0000 | |
| 195 | E | L | -0.6424 | |
| 196 | V | L | 0.0000 | |
| 197 | T | L | -1.2114 | |
| 198 | H | L | -1.2308 | |
| 202 | S | L | -0.2723 | |
| 203 | S | L | -0.4133 | |
| 204 | P | L | -0.0620 | |
| 205 | V | L | 0.6563 | |
| 206 | T | L | -0.0358 | |
| 207 | K | L | -0.5879 | |
| 208 | S | L | -0.8908 | |
| 210 | N | L | -2.7839 | |
| 211 | R | L | -3.2164 |