| Chain sequence(s) |
A: GKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE
B: VLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQ 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] (00:00:01)
[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 all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:49)
[INFO] Main: Simulation completed successfully. (00:06:53)
|
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 | |
| 257 | G | A | -1.5526 | |
| 258 | K | A | -2.7132 | |
| 259 | D | A | -2.6397 | |
| 260 | H | A | -2.2158 | |
| 261 | V | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | F | A | -0.0590 | |
| 266 | M | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | H | A | -0.0806 | |
| 269 | V | A | 0.4236 | |
| 270 | D | A | -1.3984 | |
| 271 | A | A | 0.0000 | |
| 272 | G | A | -0.4659 | |
| 273 | K | A | -0.6453 | |
| 274 | S | A | -1.1981 | |
| 275 | T | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | -0.0817 | |
| 278 | G | A | 0.0000 | |
| 279 | N | A | -0.2232 | |
| 280 | L | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | Y | A | -0.5718 | |
| 283 | L | A | -0.5899 | |
| 284 | T | A | -0.5382 | |
| 285 | G | A | -0.5107 | |
| 286 | S | A | -0.2585 | |
| 287 | V | A | -1.1328 | |
| 288 | D | A | -3.0879 | |
| 289 | K | A | -3.7594 | |
| 290 | R | A | -4.0118 | |
| 291 | T | A | -3.1305 | |
| 292 | I | A | 0.0000 | |
| 293 | E | A | -4.1945 | |
| 294 | K | A | -4.1863 | |
| 295 | Y | A | -3.2744 | |
| 296 | E | A | -3.5626 | |
| 297 | R | A | -4.6708 | |
| 298 | E | A | -4.8199 | |
| 299 | A | A | -3.4911 | |
| 300 | K | A | -3.8625 | |
| 301 | D | A | -3.8178 | |
| 302 | A | A | -2.0090 | |
| 303 | G | A | -1.6718 | |
| 304 | R | A | -0.7626 | |
| 305 | Q | A | -0.4574 | |
| 306 | G | A | 1.0631 | |
| 307 | W | A | 1.6532 | |
| 308 | Y | A | 1.9702 | |
| 309 | L | A | 2.2792 | |
| 310 | S | A | 1.6614 | |
| 311 | W | A | 1.4233 | |
| 312 | V | A | 2.1127 | |
| 313 | M | A | 0.7192 | |
| 314 | D | A | -1.0135 | |
| 315 | T | A | -0.9067 | |
| 316 | N | A | -2.8162 | |
| 317 | K | A | -3.0277 | |
| 318 | E | A | -4.2002 | |
| 319 | E | A | -4.0230 | |
| 320 | R | A | -3.8670 | |
| 321 | N | A | -3.5295 | |
| 322 | D | A | -3.4870 | |
| 323 | G | A | -2.0719 | |
| 324 | K | A | 0.0000 | |
| 325 | T | A | -0.7386 | |
| 326 | I | A | -0.3032 | |
| 327 | E | A | -2.2068 | |
| 328 | V | A | -0.4226 | |
| 329 | G | A | -2.3650 | |
| 330 | K | A | -1.7017 | |
| 331 | A | A | -0.4186 | |
| 332 | Y | A | -0.0348 | |
| 333 | F | A | 0.0000 | |
| 334 | E | A | -1.8453 | |
| 335 | T | A | -2.5026 | |
| 336 | E | A | -3.3264 | |
| 337 | K | A | -3.5067 | |
| 338 | R | A | -2.8376 | |
| 339 | R | A | -2.2396 | |
| 340 | Y | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | I | A | -0.0433 | |
| 343 | L | A | -0.5998 | |
| 344 | D | A | -1.7911 | |
| 345 | A | A | -0.8799 | |
| 346 | P | A | -0.9566 | |
| 347 | G | A | -1.0342 | |
| 348 | H | A | -1.6020 | |
| 349 | K | A | -1.3179 | |
| 350 | M | A | 0.6651 | |
| 351 | Y | A | 0.5732 | |
| 352 | V | A | 1.5441 | |
| 353 | S | A | 0.2404 | |
| 354 | E | A | -1.0737 | |
| 355 | M | A | 0.2521 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.8350 | |
| 358 | G | A | -0.7959 | |
| 359 | A | A | -0.4155 | |
| 360 | S | A | -0.5675 | |
| 361 | Q | A | -0.3259 | |
| 362 | A | A | 0.0000 | |
| 363 | D | A | 0.0000 | |
| 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 | -2.2919 | |
| 373 | K | A | -2.6306 | |
| 374 | G | A | -1.9666 | |
| 375 | E | A | -1.7988 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -2.2779 | |
| 378 | T | A | -1.8456 | |
| 379 | G | A | 0.0000 | |
| 380 | F | A | -1.3200 | |
| 381 | E | A | -2.7109 | |
| 382 | R | A | -1.9785 | |
| 383 | G | A | -1.0968 | |
| 384 | G | A | 0.0000 | |
| 385 | Q | A | -0.8254 | |
| 386 | T | A | 0.0000 | |
| 387 | R | A | 0.0000 | |
| 388 | E | A | -0.7790 | |
| 389 | H | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | L | A | -0.7323 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -1.2634 | |
| 395 | T | A | -1.3751 | |
| 396 | Q | A | -0.7371 | |
| 397 | G | A | -0.9872 | |
| 398 | V | A | 0.0000 | |
| 399 | N | A | -1.1941 | |
| 400 | K | A | 0.0000 | |
| 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 | -1.7823 | |
| 410 | D | A | 0.0000 | |
| 411 | P | A | -1.2374 | |
| 412 | T | A | -1.3806 | |
| 413 | V | A | 0.0000 | |
| 414 | N | A | -2.1021 | |
| 415 | W | A | 0.0000 | |
| 416 | S | A | -1.7419 | |
| 417 | K | A | -2.4023 | |
| 418 | E | A | -2.8820 | |
| 419 | R | A | 0.0000 | |
| 420 | Y | A | -1.6197 | |
| 421 | D | A | -2.5164 | |
| 422 | Q | A | -2.3632 | |
| 423 | C | A | 0.0000 | |
| 424 | V | A | -0.9447 | |
| 425 | S | A | -1.3505 | |
| 426 | N | A | -1.6643 | |
| 427 | V | A | 0.0000 | |
| 428 | S | A | -1.0516 | |
| 429 | N | A | -1.6331 | |
| 430 | F | A | -0.7563 | |
| 431 | L | A | 0.0000 | |
| 432 | R | A | -0.5613 | |
| 433 | A | A | -0.1044 | |
| 434 | I | A | 0.1660 | |
| 435 | G | A | 0.0000 | |
| 436 | Y | A | 0.3439 | |
| 437 | N | A | -0.1554 | |
| 438 | I | A | 0.2493 | |
| 439 | K | A | -1.0963 | |
| 440 | T | A | -0.4353 | |
| 441 | D | A | -0.3461 | |
| 442 | V | A | 0.1452 | |
| 443 | V | A | 0.4917 | |
| 444 | F | A | 0.6468 | |
| 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 | 0.9724 | |
| 451 | S | A | 0.1944 | |
| 452 | G | A | -0.4497 | |
| 453 | A | A | -1.2343 | |
| 454 | N | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -2.9385 | |
| 457 | D | A | -3.4041 | |
| 458 | H | A | -2.6817 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -2.2090 | |
| 461 | P | A | -1.8787 | |
| 462 | K | A | -2.5513 | |
| 463 | E | A | -2.3745 | |
| 464 | C | A | 0.0000 | |
| 465 | P | A | -1.1352 | |
| 466 | W | A | -0.3774 | |
| 467 | Y | A | -0.3342 | |
| 468 | T | A | -0.1950 | |
| 469 | G | A | -0.4454 | |
| 470 | P | A | -1.2568 | |
| 471 | T | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -2.4210 | |
| 475 | Y | A | -0.7443 | |
| 476 | L | A | 0.0000 | |
| 477 | D | A | -1.8799 | |
| 478 | T | A | -1.1931 | |
| 479 | M | A | 0.0000 | |
| 480 | N | A | -1.2340 | |
| 481 | H | A | -0.9358 | |
| 482 | V | A | 0.0000 | |
| 483 | D | A | 0.0000 | |
| 484 | R | A | -1.1355 | |
| 485 | H | A | -1.0713 | |
| 486 | I | A | 0.0000 | |
| 487 | N | A | -1.6572 | |
| 488 | A | A | -1.1851 | |
| 489 | P | A | -1.2253 | |
| 490 | F | A | 0.0000 | |
| 491 | M | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | P | A | -0.4587 | |
| 494 | I | A | 0.0000 | |
| 495 | A | A | -0.4742 | |
| 496 | A | A | -0.2864 | |
| 497 | K | A | -0.9181 | |
| 498 | M | A | -0.9640 | |
| 499 | K | A | -2.1019 | |
| 500 | D | A | -1.7056 | |
| 501 | L | A | 0.2032 | |
| 502 | G | A | -0.9900 | |
| 503 | T | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | E | A | -1.2242 | |
| 507 | G | A | 0.0000 | |
| 508 | K | A | -2.0953 | |
| 509 | I | A | 0.0000 | |
| 510 | E | A | -1.2668 | |
| 511 | S | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | H | A | -1.2081 | |
| 514 | I | A | 0.0000 | |
| 515 | K | A | -2.4657 | |
| 516 | K | A | -2.4685 | |
| 517 | G | A | -2.1002 | |
| 518 | Q | A | -2.0562 | |
| 519 | S | A | -1.5752 | |
| 520 | T | A | 0.0000 | |
| 521 | L | A | -1.0875 | |
| 522 | L | A | 0.0000 | |
| 523 | M | A | 0.0000 | |
| 524 | P | A | -1.2051 | |
| 525 | N | A | -1.6670 | |
| 526 | K | A | -2.0529 | |
| 527 | T | A | -0.9216 | |
| 528 | A | A | -0.7199 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -2.1203 | |
| 531 | I | A | 0.0000 | |
| 532 | Q | A | -2.0351 | |
| 533 | N | A | -1.6867 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | -2.4755 | |
| 536 | N | A | -2.9543 | |
| 537 | E | A | -3.4740 | |
| 538 | T | A | -2.5866 | |
| 539 | E | A | -3.3784 | |
| 540 | N | A | -3.1852 | |
| 541 | E | A | -2.4513 | |
| 542 | V | A | -1.6041 | |
| 543 | D | A | -2.3462 | |
| 544 | M | A | -1.2706 | |
| 545 | A | A | 0.0000 | |
| 546 | M | A | -1.0945 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.5874 | |
| 549 | E | A | -2.5173 | |
| 550 | Q | A | -2.9168 | |
| 551 | V | A | 0.0000 | |
| 552 | K | A | -2.2049 | |
| 553 | L | A | 0.0000 | |
| 554 | R | A | -1.3321 | |
| 555 | I | A | 0.0000 | |
| 556 | K | A | -2.2710 | |
| 557 | G | A | -1.1065 | |
| 558 | V | A | 0.1194 | |
| 559 | E | A | 0.0000 | |
| 560 | E | A | -2.1473 | |
| 561 | E | A | -2.2289 | |
| 562 | D | A | -1.7344 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -0.7284 | |
| 565 | P | A | 0.0667 | |
| 566 | G | A | 0.0000 | |
| 567 | F | A | 0.3645 | |
| 568 | V | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | S | A | -1.2520 | |
| 572 | P | A | -1.6071 | |
| 573 | K | A | -2.3871 | |
| 574 | N | A | -2.3949 | |
| 575 | P | A | -1.8291 | |
| 576 | I | A | 0.0000 | |
| 577 | K | A | -2.1239 | |
| 578 | S | A | -1.3422 | |
| 579 | V | A | 0.0000 | |
| 580 | T | A | -1.2577 | |
| 581 | K | A | -1.4803 | |
| 582 | F | A | 0.0000 | |
| 583 | V | A | -0.2781 | |
| 584 | A | A | 0.0000 | |
| 585 | Q | A | -0.7000 | |
| 586 | I | A | 0.0000 | |
| 587 | A | A | -0.5544 | |
| 588 | I | A | 0.0000 | |
| 589 | V | A | -0.6502 | |
| 590 | E | A | -1.6843 | |
| 591 | L | A | -1.5157 | |
| 592 | K | A | -1.7963 | |
| 593 | S | A | -0.0861 | |
| 594 | I | A | 2.6429 | |
| 595 | I | A | 3.3576 | |
| 596 | A | A | 1.7456 | |
| 597 | A | A | 0.7455 | |
| 598 | G | A | 0.1884 | |
| 599 | F | A | 1.0047 | |
| 600 | S | A | -0.4384 | |
| 601 | C | A | 0.0000 | |
| 602 | V | A | -0.4939 | |
| 603 | M | A | 0.0000 | |
| 604 | H | A | -0.2700 | |
| 605 | V | A | 0.0000 | |
| 606 | H | A | -0.6042 | |
| 607 | T | A | 0.2958 | |
| 608 | A | A | 0.5869 | |
| 609 | I | A | 1.2479 | |
| 610 | E | A | -0.3295 | |
| 611 | E | A | -1.2311 | |
| 612 | V | A | 0.0000 | |
| 613 | H | A | -0.7371 | |
| 614 | I | A | -0.1182 | |
| 615 | V | A | -0.1264 | |
| 616 | K | A | -0.9176 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -0.7058 | |
| 619 | H | A | -1.8974 | |
| 620 | K | A | -2.3429 | |
| 621 | L | A | -2.6818 | |
| 622 | E | A | -3.4858 | |
| 623 | K | A | -3.1223 | |
| 624 | G | A | -2.6991 | |
| 625 | T | A | -2.2774 | |
| 626 | N | A | -3.0048 | |
| 627 | R | A | -4.1226 | |
| 628 | K | A | -3.7613 | |
| 629 | S | A | -3.1000 | |
| 630 | K | A | -3.2073 | |
| 631 | K | A | -2.8964 | |
| 632 | P | A | -1.4371 | |
| 633 | P | A | -0.4384 | |
| 634 | A | A | 1.1123 | |
| 635 | F | A | 2.2537 | |
| 636 | A | A | 0.3187 | |
| 637 | K | A | -1.2339 | |
| 638 | K | A | -2.4917 | |
| 639 | G | A | -1.6863 | |
| 640 | M | A | -1.5496 | |
| 641 | K | A | -1.6013 | |
| 642 | V | A | 0.0000 | |
| 643 | I | A | -0.4263 | |
| 644 | A | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | E | A | -1.2784 | |
| 648 | T | A | 0.0000 | |
| 649 | E | A | -2.3127 | |
| 650 | A | A | -1.3232 | |
| 651 | P | A | -1.1280 | |
| 652 | V | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | V | A | 0.0000 | |
| 655 | E | A | 0.0000 | |
| 656 | T | A | -1.3966 | |
| 657 | Y | A | -1.5780 | |
| 658 | Q | A | -2.2014 | |
| 659 | D | A | -2.0586 | |
| 660 | Y | A | -1.5281 | |
| 661 | P | A | -1.9171 | |
| 662 | Q | A | -2.0862 | |
| 663 | L | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | R | A | -2.3259 | |
| 666 | F | A | 0.0000 | |
| 667 | T | A | -0.3210 | |
| 668 | L | A | 0.0000 | |
| 669 | R | A | -1.3200 | |
| 670 | D | A | -1.3134 | |
| 671 | Q | A | -1.7640 | |
| 672 | G | A | -1.3968 | |
| 673 | T | A | -1.0550 | |
| 674 | T | A | -0.7143 | |
| 675 | I | A | 0.0000 | |
| 676 | A | A | 0.0000 | |
| 677 | I | A | 0.0196 | |
| 678 | G | A | 0.0000 | |
| 679 | K | A | -1.5012 | |
| 680 | I | A | 0.0000 | |
| 681 | V | A | -0.3994 | |
| 682 | K | A | -1.2896 | |
| 683 | I | A | -1.1652 | |
| 684 | A | A | -1.3558 | |
| 685 | E | A | -2.2934 | |
| 37 | V | B | 3.1905 | |
| 38 | L | B | 3.5583 | |
| 39 | Y | B | 3.2378 | |
| 40 | V | B | 2.8815 | |
| 41 | G | B | 0.9459 | |
| 42 | S | B | -0.0598 | |
| 43 | K | B | -1.9265 | |
| 44 | T | B | -2.0585 | |
| 45 | K | B | -2.3605 | |
| 46 | E | B | -2.0591 | |
| 47 | G | B | -0.9831 | |
| 48 | V | B | -0.1612 | |
| 49 | V | B | 1.4018 | |
| 50 | H | B | 0.1964 | |
| 51 | G | B | 0.1648 | |
| 52 | V | B | 1.5186 | |
| 53 | A | B | 0.6536 | |
| 54 | T | B | 0.4334 | |
| 55 | V | B | 0.3228 | |
| 56 | A | B | -0.7182 | |
| 57 | E | B | -2.4125 | |
| 58 | K | B | -3.5005 | |
| 59 | T | B | -2.5763 | |
| 60 | K | B | -3.6808 | |
| 61 | E | B | -3.3489 | |
| 62 | Q | B | -1.9772 | |
| 63 | V | B | 0.3806 | |
| 64 | T | B | -0.0031 | |
| 65 | N | B | -0.2178 | |
| 66 | V | B | 0.7935 | |
| 67 | G | B | 0.0854 | |
| 68 | G | B | 0.0805 | |
| 69 | A | B | 0.8758 | |
| 70 | V | B | 1.9278 | |
| 71 | V | B | 2.2747 | |
| 72 | T | B | 1.2983 | |
| 73 | G | B | 0.8136 | |
| 74 | V | B | 2.2530 | |
| 75 | T | B | 1.3181 | |
| 76 | A | B | 1.5637 | |
| 77 | V | B | 2.0905 | |
| 78 | A | B | 0.7165 | |
| 79 | Q | B | -0.5861 | |
| 80 | K | B | -1.6471 | |
| 81 | T | B | -1.7071 | |
| 82 | V | B | -1.3157 | |
| 83 | E | B | -2.1783 | |
| 84 | G | B | -1.6426 | |
| 85 | A | B | -0.5348 | |
| 86 | G | B | -0.5964 | |
| 87 | S | B | 0.5692 | |
| 88 | I | B | 2.1831 | |
| 89 | A | B | 1.8569 | |
| 90 | A | B | 1.0668 | |
| 91 | A | B | 1.0248 | |
| 92 | T | B | 0.8029 | |
| 93 | G | B | 0.8180 | |
| 94 | F | B | 2.0322 | |
| 95 | V | B | 1.4163 | |
| 96 | K | B | -1.6088 | |
| 97 | K | B | -3.2874 | |
| 98 | D | B | -3.5761 | |
| 99 | Q | B | -2.4304 |
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