| Chain sequence(s) |
A: MSDSNQGNNQQNYQQYSQNGNQQQGNNRYQGYQAYNAQAQPAGGYYQNYQGYSGYQQGGYQQYNPDAGYQQQYNPQGGYQQYNPQGGYQQQFNPQGGRGNYKNFNYNNNLQGYQAGFQPQSQGMSLNDFQKQQKQAAPKPKKTLKLVSSSGIKLANATKKVGTKPAESDKKEEEKSAETKEPTKEPTKVEEPVKKEEKPVQTEEKTEEKSELPKVEDLKISESTHNTNNANVTSADALIKEQEEEVDDEVVNDMFGGKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage |
A: MSDSNQGNNQQNYQQYSQNGNQQQGNNRYQGYQAYNAQAQPAGGYYQNYQGYSGYQQGGYQQYNPDAGYQQQYNPQGGYQQYNPQGGYQQQFNPQGGRGNYKNFNYNNNLQGYQAGFQPQSQGMSLNDFQKQQKQAAPKPKKTLKLVSSSGIKLANATKKVGTKPAESDKKEEEKSAETKEPTKEPTKVEEPVKKEEKPVQTEEKTEEKSELPKVEDLKISESTHNTN NANVTSADALIKEQEEEVDDEVVNDMFGGKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE(Red indicates removed residues) |
| 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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB: Running AlphaCutter (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:10)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:31)
[INFO] Movie: Creting movie with webm format (00:04:31)
[CRITICAL] ffmpeg: OSError while launching ffmpeg. Perhaps it's not installed? (00:04:31)
[INFO] Main: Simulation completed successfully. (00:04:34)
|
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 |
|---|---|---|---|---|
| 229 | N | A | -1.2604 | |
| 230 | A | A | -0.7104 | |
| 231 | N | A | -0.7894 | |
| 232 | V | A | 0.5257 | |
| 233 | T | A | -0.3371 | |
| 234 | S | A | -0.5546 | |
| 235 | A | A | -0.8963 | |
| 236 | D | A | -1.8489 | |
| 237 | A | A | -1.5346 | |
| 238 | L | A | -2.0374 | |
| 239 | I | A | -2.1868 | |
| 240 | K | A | -3.7244 | |
| 241 | E | A | -4.0590 | |
| 242 | Q | A | -3.6137 | |
| 243 | E | A | -4.4949 | |
| 244 | E | A | -4.6789 | |
| 245 | E | A | -4.2482 | |
| 246 | V | A | -3.1994 | |
| 247 | D | A | -3.9734 | |
| 248 | D | A | -3.9030 | |
| 249 | E | A | -3.4661 | |
| 250 | V | A | -1.8882 | |
| 251 | V | A | -1.7626 | |
| 252 | N | A | -2.9249 | |
| 253 | D | A | -2.5951 | |
| 254 | M | A | -1.0002 | |
| 255 | F | A | -0.6651 | |
| 256 | G | A | -1.4923 | |
| 257 | G | A | -2.0782 | |
| 258 | K | A | -1.9077 | |
| 259 | D | A | -1.1460 | |
| 260 | H | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | M | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | H | A | -0.8971 | |
| 269 | V | A | -0.9938 | |
| 270 | D | A | -1.9410 | |
| 271 | A | A | 0.0000 | |
| 272 | G | A | -0.4723 | |
| 273 | K | A | 0.0000 | |
| 274 | S | A | -0.2224 | |
| 275 | T | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | N | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | Y | A | -0.0813 | |
| 283 | L | A | -0.0005 | |
| 284 | T | A | -0.3330 | |
| 285 | G | A | -0.8843 | |
| 286 | S | A | -0.7003 | |
| 287 | V | A | -0.9741 | |
| 288 | D | A | -2.7627 | |
| 289 | K | A | -3.5917 | |
| 290 | R | A | -3.8476 | |
| 291 | T | A | -2.7799 | |
| 292 | I | A | 0.0000 | |
| 293 | E | A | -4.0574 | |
| 294 | K | A | -4.1233 | |
| 295 | Y | A | -3.2045 | |
| 296 | E | A | -4.0276 | |
| 297 | R | A | -5.0322 | |
| 298 | E | A | -4.6268 | |
| 299 | A | A | 0.0000 | |
| 300 | K | A | -4.7637 | |
| 301 | D | A | -4.1662 | |
| 302 | A | A | -2.9996 | |
| 303 | G | A | -2.6795 | |
| 304 | R | A | -3.1004 | |
| 305 | Q | A | -3.2808 | |
| 306 | G | A | -1.2415 | |
| 307 | W | A | -0.7985 | |
| 308 | Y | A | -1.4532 | |
| 309 | L | A | 0.0000 | |
| 310 | S | A | 0.1221 | |
| 311 | W | A | 0.0000 | |
| 312 | V | A | 0.3153 | |
| 313 | M | A | 0.0000 | |
| 314 | D | A | 0.0000 | |
| 315 | T | A | -1.2953 | |
| 316 | N | A | -2.4180 | |
| 317 | K | A | -3.5497 | |
| 318 | E | A | -3.8919 | |
| 319 | E | A | 0.0000 | |
| 320 | R | A | -2.8899 | |
| 321 | N | A | -3.6562 | |
| 322 | D | A | -3.4275 | |
| 323 | G | A | -2.4109 | |
| 324 | K | A | -2.1453 | |
| 325 | T | A | 0.0000 | |
| 326 | I | A | -1.0870 | |
| 327 | E | A | -1.8706 | |
| 328 | V | A | -0.9102 | |
| 329 | G | A | -0.8093 | |
| 330 | K | A | -1.0424 | |
| 331 | A | A | -0.3206 | |
| 332 | Y | A | -0.3025 | |
| 333 | F | A | 0.0000 | |
| 334 | E | A | -1.9018 | |
| 335 | T | A | -2.1124 | |
| 336 | E | A | -2.8078 | |
| 337 | K | A | -2.7665 | |
| 338 | R | A | 0.0000 | |
| 339 | R | A | -1.3640 | |
| 340 | Y | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | D | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | P | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | H | A | -0.6867 | |
| 349 | K | A | -1.0176 | |
| 350 | M | A | 0.1522 | |
| 351 | Y | A | -0.2474 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -0.3617 | |
| 354 | E | A | -1.0325 | |
| 355 | M | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.3366 | |
| 358 | G | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | Q | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | D | A | -0.4178 | |
| 364 | V | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | R | A | -2.3514 | |
| 373 | K | A | -2.5883 | |
| 374 | G | A | -1.9047 | |
| 375 | E | A | -1.9060 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -2.3050 | |
| 378 | T | A | -2.0505 | |
| 379 | G | A | 0.0000 | |
| 380 | F | A | -1.9393 | |
| 381 | E | A | -3.1767 | |
| 382 | R | A | -3.0270 | |
| 383 | G | A | -2.1550 | |
| 384 | G | A | 0.0000 | |
| 385 | Q | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | R | A | -1.5010 | |
| 388 | E | A | -1.0849 | |
| 389 | H | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | L | A | -0.0162 | |
| 392 | L | A | 0.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -0.6132 | |
| 395 | T | A | 0.0000 | |
| 396 | Q | A | 0.0000 | |
| 397 | G | A | -0.7699 | |
| 398 | V | A | 0.0000 | |
| 399 | N | A | -1.6822 | |
| 400 | K | A | -1.1493 | |
| 401 | M | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | N | A | 0.0000 | |
| 407 | K | A | 0.0000 | |
| 408 | M | A | 0.0000 | |
| 409 | D | A | -1.4798 | |
| 410 | D | A | 0.0000 | |
| 411 | P | A | -0.9656 | |
| 412 | T | A | -1.1877 | |
| 413 | V | A | 0.0000 | |
| 414 | N | A | -2.1247 | |
| 415 | W | A | 0.0000 | |
| 416 | S | A | -1.8758 | |
| 417 | K | A | -2.2310 | |
| 418 | E | A | -2.7482 | |
| 419 | R | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | D | A | -2.2241 | |
| 422 | Q | A | -2.0318 | |
| 423 | C | A | 0.0000 | |
| 424 | V | A | -0.8483 | |
| 425 | S | A | -1.2199 | |
| 426 | N | A | -1.3953 | |
| 427 | V | A | 0.0000 | |
| 428 | S | A | -1.3961 | |
| 429 | N | A | -1.8613 | |
| 430 | F | A | -1.1114 | |
| 431 | L | A | 0.0000 | |
| 432 | R | A | -2.0192 | |
| 433 | A | A | -0.9162 | |
| 434 | I | A | -0.4585 | |
| 435 | G | A | -0.8418 | |
| 436 | Y | A | 0.0000 | |
| 437 | N | A | -1.7410 | |
| 438 | I | A | -1.3218 | |
| 439 | K | A | -1.7391 | |
| 440 | T | A | -1.1983 | |
| 441 | D | A | -1.1685 | |
| 442 | V | A | 0.0000 | |
| 443 | V | A | 0.2662 | |
| 444 | F | A | 0.4425 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | V | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | Y | A | 0.5617 | |
| 451 | S | A | 0.0523 | |
| 452 | G | A | 0.0000 | |
| 453 | A | A | -1.1014 | |
| 454 | N | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -2.1333 | |
| 457 | D | A | -2.9164 | |
| 458 | H | A | -2.3967 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -2.9204 | |
| 461 | P | A | -2.3886 | |
| 462 | K | A | -3.1358 | |
| 463 | E | A | -3.4271 | |
| 464 | C | A | 0.0000 | |
| 465 | P | A | -1.4503 | |
| 466 | W | A | -0.4611 | |
| 467 | Y | A | -0.3062 | |
| 468 | T | A | -0.1826 | |
| 469 | G | A | -0.2638 | |
| 470 | P | A | -0.8748 | |
| 471 | T | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -1.4880 | |
| 475 | Y | A | -0.3767 | |
| 476 | L | A | 0.0000 | |
| 477 | D | A | -1.3910 | |
| 478 | T | A | -0.8942 | |
| 479 | M | A | -0.8445 | |
| 480 | N | A | -1.7974 | |
| 481 | H | A | -1.8537 | |
| 482 | V | A | -1.2472 | |
| 483 | D | A | -2.2446 | |
| 484 | R | A | -1.6398 | |
| 485 | H | A | -1.4240 | |
| 486 | I | A | -0.8062 | |
| 487 | N | A | -1.9633 | |
| 488 | A | A | 0.0000 | |
| 489 | P | A | -0.5463 | |
| 490 | F | A | 0.0000 | |
| 491 | M | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | P | A | 0.0000 | |
| 494 | I | A | 0.0000 | |
| 495 | A | A | -0.1166 | |
| 496 | A | A | -0.2798 | |
| 497 | K | A | -1.2982 | |
| 498 | M | A | -1.4044 | |
| 499 | K | A | -2.7120 | |
| 500 | D | A | -1.7543 | |
| 501 | L | A | 0.2695 | |
| 502 | G | A | -1.3974 | |
| 503 | T | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | E | A | 0.0000 | |
| 507 | G | A | 0.0000 | |
| 508 | K | A | 0.0000 | |
| 509 | I | A | 0.0000 | |
| 510 | E | A | 0.0000 | |
| 511 | S | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | H | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | K | A | -1.8636 | |
| 516 | K | A | -2.6475 | |
| 517 | G | A | -2.1869 | |
| 518 | Q | A | -1.7043 | |
| 519 | S | A | -1.4513 | |
| 520 | T | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | M | A | 0.0000 | |
| 524 | P | A | -1.3439 | |
| 525 | N | A | -2.3381 | |
| 526 | K | A | -2.3594 | |
| 527 | T | A | -1.4929 | |
| 528 | A | A | -1.1623 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -2.4044 | |
| 531 | I | A | 0.0000 | |
| 532 | Q | A | -1.8933 | |
| 533 | N | A | -1.8900 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | -2.1277 | |
| 536 | N | A | -1.9031 | |
| 537 | E | A | -1.5521 | |
| 538 | T | A | -1.6468 | |
| 539 | E | A | -2.9843 | |
| 540 | N | A | -2.8999 | |
| 541 | E | A | -2.9137 | |
| 542 | V | A | -2.0365 | |
| 543 | D | A | -2.5432 | |
| 544 | M | A | 0.0000 | |
| 545 | A | A | 0.0000 | |
| 546 | M | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | 0.0000 | |
| 549 | E | A | 0.0000 | |
| 550 | Q | A | 0.0000 | |
| 551 | V | A | 0.0000 | |
| 552 | K | A | -1.4581 | |
| 553 | L | A | 0.0000 | |
| 554 | R | A | -1.3864 | |
| 555 | I | A | 0.0000 | |
| 556 | K | A | -2.8247 | |
| 557 | G | A | -1.9329 | |
| 558 | V | A | 0.0000 | |
| 559 | E | A | -3.8210 | |
| 560 | E | A | -3.3940 | |
| 561 | E | A | -3.6866 | |
| 562 | D | A | -3.5438 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -0.7365 | |
| 565 | P | A | 0.0816 | |
| 566 | G | A | 0.3257 | |
| 567 | F | A | 0.0623 | |
| 568 | V | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | S | A | -1.0094 | |
| 572 | P | A | -1.4711 | |
| 573 | K | A | -2.0746 | |
| 574 | N | A | -1.5763 | |
| 575 | P | A | -1.3763 | |
| 576 | I | A | 0.0000 | |
| 577 | K | A | -1.4073 | |
| 578 | S | A | -1.3079 | |
| 579 | V | A | 0.0000 | |
| 580 | T | A | -1.5114 | |
| 581 | K | A | -1.9004 | |
| 582 | F | A | 0.0000 | |
| 583 | V | A | -0.6786 | |
| 584 | A | A | 0.0000 | |
| 585 | Q | A | -0.6247 | |
| 586 | I | A | 0.0000 | |
| 587 | A | A | -0.5275 | |
| 588 | I | A | 0.0000 | |
| 589 | V | A | -0.5931 | |
| 590 | E | A | -1.7615 | |
| 591 | L | A | -1.6476 | |
| 592 | K | A | -2.0989 | |
| 593 | S | A | -0.9802 | |
| 594 | I | A | 0.3651 | |
| 595 | I | A | 0.0000 | |
| 596 | A | A | 0.3786 | |
| 597 | A | A | -0.2371 | |
| 598 | G | A | -0.6073 | |
| 599 | F | A | 0.0415 | |
| 600 | S | A | -0.3788 | |
| 601 | C | A | 0.0000 | |
| 602 | V | A | 0.1038 | |
| 603 | M | A | 0.0000 | |
| 604 | H | A | 0.0000 | |
| 605 | V | A | 0.0000 | |
| 606 | H | A | 0.0000 | |
| 607 | T | A | 0.0000 | |
| 608 | A | A | 0.0000 | |
| 609 | I | A | 1.3192 | |
| 610 | E | A | -0.3922 | |
| 611 | E | A | -1.4948 | |
| 612 | V | A | 0.0000 | |
| 613 | H | A | -1.2019 | |
| 614 | I | A | 0.0000 | |
| 615 | V | A | -0.6816 | |
| 616 | K | A | -1.3614 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -1.1430 | |
| 619 | H | A | -2.4678 | |
| 620 | K | A | -2.7650 | |
| 621 | L | A | 0.0000 | |
| 622 | E | A | -3.3997 | |
| 623 | K | A | -3.0538 | |
| 624 | G | A | -2.0539 | |
| 625 | T | A | -2.2919 | |
| 626 | N | A | -3.3146 | |
| 627 | R | A | -4.1027 | |
| 628 | K | A | -4.0203 | |
| 629 | S | A | -3.3059 | |
| 630 | K | A | -3.3625 | |
| 631 | K | A | -3.0323 | |
| 632 | P | A | -1.8706 | |
| 633 | P | A | -0.7923 | |
| 634 | A | A | 0.0466 | |
| 635 | F | A | 0.8719 | |
| 636 | A | A | 0.0000 | |
| 637 | K | A | -1.7628 | |
| 638 | K | A | -2.5382 | |
| 639 | G | A | -1.5606 | |
| 640 | M | A | -1.4224 | |
| 641 | K | A | -1.7681 | |
| 642 | V | A | 0.0000 | |
| 643 | I | A | 0.0000 | |
| 644 | A | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | E | A | -2.0986 | |
| 648 | T | A | 0.0000 | |
| 649 | E | A | -2.6012 | |
| 650 | A | A | -1.4670 | |
| 651 | P | A | -1.2252 | |
| 652 | V | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | V | A | 0.0000 | |
| 655 | E | A | -1.2493 | |
| 656 | T | A | -1.4192 | |
| 657 | Y | A | -1.2617 | |
| 658 | Q | A | -2.1342 | |
| 659 | D | A | -2.2310 | |
| 660 | Y | A | -1.0964 | |
| 661 | P | A | -1.0015 | |
| 662 | Q | A | -0.8389 | |
| 663 | L | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | R | A | -0.4805 | |
| 666 | F | A | 0.0000 | |
| 667 | T | A | 0.0000 | |
| 668 | L | A | 0.0000 | |
| 669 | R | A | 0.0000 | |
| 670 | D | A | -0.9574 | |
| 671 | Q | A | -1.4346 | |
| 672 | G | A | -1.1019 | |
| 673 | T | A | -1.2443 | |
| 674 | T | A | 0.0000 | |
| 675 | I | A | 0.0000 | |
| 676 | A | A | 0.0000 | |
| 677 | I | A | 0.2987 | |
| 678 | G | A | 0.0000 | |
| 679 | K | A | -0.9078 | |
| 680 | I | A | 0.0000 | |
| 681 | V | A | -0.8914 | |
| 682 | K | A | -1.7603 | |
| 683 | I | A | -1.1505 | |
| 684 | A | A | -1.4496 | |
| 685 | E | A | -2.2210 |