| Chain sequence(s) |
A: EQIKEIKKEQLSGSPWILLRENEVSTLYKGEYHRAPVAIKVFKKLQAVRQTFNKEIKTMKKFESPNILRIFGICIDETVTPPQFSIVMEYCELGTLRELLDREKDLTLGKRMVLVLGAARGLYRLHHSEAPELHGKIRSSNFLVTQGYQVKLAGFEVKSTAYLSPQELEDVFYQYDVKSEIYSFGIVLWEIATGDIPFQGCNSEKIRKLVAVKRQQEPLGEDCPSELREIIDECRAHDPSVRPSVDEILKKLSTFS
B: PTKLEVVAATPTSLLISWDAYTYYWVDYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYDYGGWWAYSPISINYRT input PDB |
| Selected Chain(s) | A,B |
| 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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:02)
[INFO] Main: Simulation completed successfully. (00:05:04)
|
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 | |
| 191 | E | A | -3.1550 | |
| 192 | Q | A | -2.9908 | |
| 193 | I | A | -2.3157 | |
| 194 | K | A | -2.9044 | |
| 195 | E | A | -2.9417 | |
| 196 | I | A | 0.0000 | |
| 197 | K | A | -3.3999 | |
| 198 | K | A | -3.1660 | |
| 199 | E | A | -3.2605 | |
| 200 | Q | A | -2.9359 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -1.8707 | |
| 203 | G | A | -1.6121 | |
| 204 | S | A | -0.5920 | |
| 205 | P | A | 0.3267 | |
| 206 | W | A | 1.3906 | |
| 207 | I | A | 2.6327 | |
| 208 | L | A | 2.4930 | |
| 209 | L | A | 1.6023 | |
| 210 | R | A | 0.4189 | |
| 211 | E | A | -0.2963 | |
| 212 | N | A | -0.7755 | |
| 213 | E | A | -1.1499 | |
| 214 | V | A | -0.3335 | |
| 215 | S | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | L | A | 0.7755 | |
| 218 | Y | A | 1.4116 | |
| 219 | K | A | 0.5067 | |
| 220 | G | A | 0.0000 | |
| 221 | E | A | -1.5222 | |
| 222 | Y | A | -1.7204 | |
| 223 | H | A | -2.3844 | |
| 224 | R | A | -2.6105 | |
| 225 | A | A | -1.3708 | |
| 226 | P | A | -1.0810 | |
| 227 | V | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | K | A | -0.0445 | |
| 231 | V | A | -0.0320 | |
| 232 | F | A | -0.5273 | |
| 233 | K | A | -1.1232 | |
| 234 | K | A | -1.5619 | |
| 235 | L | A | -0.0699 | |
| 236 | Q | A | -0.9010 | |
| 237 | A | A | -0.1964 | |
| 243 | V | A | 0.6514 | |
| 244 | R | A | -1.6133 | |
| 245 | Q | A | -1.8438 | |
| 246 | T | A | -1.7121 | |
| 247 | F | A | 0.0000 | |
| 248 | N | A | -2.1637 | |
| 249 | K | A | -2.6319 | |
| 250 | E | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -3.1743 | |
| 253 | T | A | -2.3657 | |
| 254 | M | A | 0.0000 | |
| 255 | K | A | -2.8715 | |
| 256 | K | A | -3.1469 | |
| 257 | F | A | 0.0000 | |
| 258 | E | A | -2.7070 | |
| 259 | S | A | -1.6507 | |
| 260 | P | A | -1.1801 | |
| 261 | N | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | R | A | -1.5829 | |
| 265 | I | A | 0.0000 | |
| 266 | F | A | -0.2996 | |
| 267 | G | A | 0.0000 | |
| 268 | I | A | -0.8283 | |
| 269 | C | A | 0.0000 | |
| 270 | I | A | -0.7422 | |
| 271 | D | A | -1.2945 | |
| 272 | E | A | -1.8336 | |
| 273 | T | A | -0.8955 | |
| 274 | V | A | -0.2796 | |
| 275 | T | A | -0.6647 | |
| 276 | P | A | -0.8058 | |
| 277 | P | A | -1.0646 | |
| 278 | Q | A | -0.8263 | |
| 279 | F | A | -0.4202 | |
| 280 | S | A | 0.0000 | |
| 281 | I | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | E | A | -0.5833 | |
| 285 | Y | A | -0.6569 | |
| 286 | C | A | 0.0000 | |
| 287 | E | A | -1.8028 | |
| 288 | L | A | -1.2935 | |
| 289 | G | A | -0.5990 | |
| 290 | T | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | E | A | -1.7237 | |
| 294 | L | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | D | A | -2.9244 | |
| 297 | R | A | -3.5131 | |
| 298 | E | A | -3.2720 | |
| 299 | K | A | -3.7064 | |
| 300 | D | A | -2.9092 | |
| 301 | L | A | -1.6831 | |
| 302 | T | A | -0.6747 | |
| 303 | L | A | 0.0391 | |
| 304 | G | A | -0.0991 | |
| 305 | K | A | -0.4362 | |
| 306 | R | A | 0.0013 | |
| 307 | M | A | 0.0000 | |
| 308 | V | A | 0.6033 | |
| 309 | L | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | L | A | 0.0582 | |
| 312 | G | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | R | A | -1.3297 | |
| 316 | G | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | Y | A | -0.9641 | |
| 319 | R | A | -1.8566 | |
| 320 | L | A | 0.0000 | |
| 321 | H | A | -0.9548 | |
| 322 | H | A | -1.4101 | |
| 323 | S | A | -1.5885 | |
| 324 | E | A | -2.2544 | |
| 325 | A | A | -1.4820 | |
| 326 | P | A | -1.5311 | |
| 327 | E | A | -1.3732 | |
| 328 | L | A | -0.2404 | |
| 329 | H | A | 0.0000 | |
| 330 | G | A | -1.0571 | |
| 331 | K | A | -1.7751 | |
| 332 | I | A | 0.0000 | |
| 333 | R | A | -0.5963 | |
| 334 | S | A | 0.0000 | |
| 335 | S | A | -0.5694 | |
| 336 | N | A | -0.5371 | |
| 337 | F | A | 0.0000 | |
| 338 | L | A | -0.1963 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.3346 | |
| 341 | Q | A | -1.9508 | |
| 342 | G | A | -1.4740 | |
| 343 | Y | A | -0.9475 | |
| 344 | Q | A | -1.0259 | |
| 345 | V | A | 0.0000 | |
| 346 | K | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | -0.6361 | |
| 349 | G | A | -1.0933 | |
| 350 | F | A | 0.0000 | |
| 351 | E | A | -2.4358 | |
| 371 | V | A | 1.0939 | |
| 372 | K | A | -0.1951 | |
| 373 | S | A | -0.2927 | |
| 374 | T | A | -0.3691 | |
| 375 | A | A | 0.0000 | |
| 376 | Y | A | 0.0000 | |
| 377 | L | A | 0.2318 | |
| 378 | S | A | 0.0000 | |
| 379 | P | A | 0.0000 | |
| 380 | Q | A | -0.8183 | |
| 381 | E | A | -0.2918 | |
| 382 | L | A | -0.7631 | |
| 383 | E | A | -1.7299 | |
| 384 | D | A | -0.6707 | |
| 385 | V | A | 1.5633 | |
| 386 | F | A | 2.0207 | |
| 387 | Y | A | 0.5344 | |
| 388 | Q | A | -0.3342 | |
| 389 | Y | A | 0.2061 | |
| 390 | D | A | -0.0528 | |
| 391 | V | A | 0.7391 | |
| 392 | K | A | -0.0174 | |
| 393 | S | A | 0.0000 | |
| 394 | E | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | Y | A | 0.0000 | |
| 397 | S | A | 0.0000 | |
| 398 | F | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | I | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | W | A | 0.0000 | |
| 404 | E | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | A | A | -0.3320 | |
| 407 | T | A | -0.8441 | |
| 408 | G | A | 0.0000 | |
| 409 | D | A | -1.5650 | |
| 410 | I | A | 0.0000 | |
| 411 | P | A | 0.0000 | |
| 412 | F | A | 0.0000 | |
| 413 | Q | A | -1.6651 | |
| 414 | G | A | -1.4307 | |
| 415 | C | A | -1.7609 | |
| 416 | N | A | -2.4151 | |
| 417 | S | A | -2.1498 | |
| 418 | E | A | -3.2246 | |
| 419 | K | A | -2.7022 | |
| 420 | I | A | 0.0000 | |
| 421 | R | A | -2.7123 | |
| 422 | K | A | -2.3928 | |
| 423 | L | A | -1.9294 | |
| 424 | V | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | V | A | -0.5891 | |
| 427 | K | A | -2.3344 | |
| 428 | R | A | -2.8873 | |
| 429 | Q | A | -2.5244 | |
| 430 | Q | A | -1.9405 | |
| 431 | E | A | -1.0109 | |
| 432 | P | A | -1.0875 | |
| 433 | L | A | -1.1915 | |
| 434 | G | A | -1.8309 | |
| 435 | E | A | -2.9065 | |
| 436 | D | A | -2.6935 | |
| 437 | C | A | -1.7915 | |
| 438 | P | A | -1.3164 | |
| 439 | S | A | -1.5629 | |
| 440 | E | A | -1.8836 | |
| 441 | L | A | 0.0000 | |
| 442 | R | A | -2.5236 | |
| 443 | E | A | -3.1073 | |
| 444 | I | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | D | A | -2.5188 | |
| 447 | E | A | -2.1272 | |
| 448 | C | A | 0.0000 | |
| 449 | R | A | 0.0000 | |
| 450 | A | A | -1.5926 | |
| 451 | H | A | -1.7136 | |
| 452 | D | A | -1.7246 | |
| 453 | P | A | -0.8716 | |
| 454 | S | A | -0.4661 | |
| 455 | V | A | 0.0457 | |
| 456 | R | A | 0.0000 | |
| 457 | P | A | -0.8434 | |
| 458 | S | A | -0.7751 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -2.1223 | |
| 461 | E | A | -2.8621 | |
| 462 | I | A | 0.0000 | |
| 463 | L | A | -1.8517 | |
| 464 | K | A | -3.0179 | |
| 465 | K | A | -2.9353 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | -1.2015 | |
| 468 | T | A | -0.4742 | |
| 469 | F | A | 0.2409 | |
| 470 | S | A | 0.1046 | |
| 10 | P | B | -0.4124 | |
| 11 | T | B | -0.6744 | |
| 12 | K | B | -1.5799 | |
| 13 | L | B | 0.0000 | |
| 14 | E | B | -1.1358 | |
| 15 | V | B | 0.6613 | |
| 16 | V | B | 1.6738 | |
| 17 | A | B | 0.9591 | |
| 18 | A | B | 0.4843 | |
| 19 | T | B | -0.2037 | |
| 20 | P | B | -0.7746 | |
| 21 | T | B | -0.5230 | |
| 22 | S | B | -0.3071 | |
| 23 | L | B | 0.0000 | |
| 24 | L | B | 0.7947 | |
| 25 | I | B | 0.0000 | |
| 26 | S | B | -0.3883 | |
| 27 | W | B | 0.0000 | |
| 28 | D | B | -1.5071 | |
| 29 | A | B | 0.0297 | |
| 30 | Y | B | 1.1136 | |
| 31 | T | B | 1.1587 | |
| 32 | Y | B | 1.9242 | |
| 33 | Y | B | 1.4614 | |
| 34 | W | B | 0.4823 | |
| 35 | V | B | 0.0000 | |
| 36 | D | B | 0.0000 | |
| 37 | Y | B | -0.0567 | |
| 38 | Y | B | 0.0000 | |
| 39 | R | B | -0.3789 | |
| 40 | I | B | 0.0000 | |
| 41 | T | B | 0.0000 | |
| 42 | Y | B | 0.0000 | |
| 43 | G | B | -0.9666 | |
| 44 | E | B | -1.7563 | |
| 45 | T | B | -1.3640 | |
| 46 | G | B | -1.3446 | |
| 47 | G | B | -1.5228 | |
| 48 | N | B | -1.6417 | |
| 49 | S | B | -0.9870 | |
| 50 | P | B | -0.4765 | |
| 51 | V | B | 0.1573 | |
| 52 | Q | B | -1.3099 | |
| 53 | E | B | -1.8014 | |
| 54 | F | B | -0.6056 | |
| 55 | T | B | 0.0267 | |
| 56 | V | B | 0.3422 | |
| 57 | P | B | -0.1802 | |
| 58 | G | B | -0.4428 | |
| 59 | S | B | -0.7209 | |
| 60 | S | B | -0.4135 | |
| 61 | S | B | -0.5532 | |
| 62 | T | B | -0.1202 | |
| 63 | A | B | 0.0000 | |
| 64 | T | B | 0.0177 | |
| 65 | I | B | 0.0000 | |
| 66 | S | B | -0.4693 | |
| 67 | G | B | -0.6913 | |
| 68 | L | B | 0.0000 | |
| 69 | S | B | -0.7258 | |
| 70 | P | B | -0.9134 | |
| 71 | G | B | -0.9917 | |
| 72 | V | B | -0.8873 | |
| 73 | D | B | -1.8051 | |
| 74 | Y | B | 0.0000 | |
| 75 | T | B | -0.8175 | |
| 76 | I | B | 0.0000 | |
| 77 | T | B | -0.2613 | |
| 78 | V | B | 0.0000 | |
| 79 | Y | B | 0.0480 | |
| 80 | A | B | 0.0000 | |
| 81 | Y | B | 0.0000 | |
| 82 | D | B | -0.1356 | |
| 83 | Y | B | 0.0000 | |
| 84 | G | B | -0.5864 | |
| 85 | G | B | -0.5159 | |
| 86 | W | B | -0.2559 | |
| 87 | W | B | -0.2672 | |
| 88 | A | B | 0.0856 | |
| 89 | Y | B | 0.1176 | |
| 90 | S | B | -0.1304 | |
| 91 | P | B | 0.1241 | |
| 92 | I | B | 0.1814 | |
| 93 | S | B | -0.3053 | |
| 94 | I | B | -0.4710 | |
| 95 | N | B | -1.6949 | |
| 96 | Y | B | -1.3970 | |
| 97 | R | B | -2.3221 | |
| 98 | T | B | -1.2760 |
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