| Chain sequence(s) |
A: GKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE
B: LVFFAEDVGSNKGAIIGLMVGGVVIA 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:50)
[INFO] Main: Simulation completed successfully. (00:05:53)
|
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 | -1.6765 | |
| 258 | K | A | -3.0030 | |
| 259 | D | A | -2.6694 | |
| 260 | H | A | -2.2507 | |
| 261 | V | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | F | A | 0.1617 | |
| 266 | M | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | H | A | -0.0339 | |
| 269 | V | A | 0.4348 | |
| 270 | D | A | -1.3645 | |
| 271 | A | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | K | A | -0.5812 | |
| 274 | S | A | -1.1720 | |
| 275 | T | A | -0.5530 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | -0.0388 | |
| 278 | G | A | 0.0000 | |
| 279 | N | A | -0.0990 | |
| 280 | L | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | Y | A | -0.2079 | |
| 283 | L | A | -0.1569 | |
| 284 | T | A | -0.3406 | |
| 285 | G | A | -0.5139 | |
| 286 | S | A | -0.1066 | |
| 287 | V | A | -0.7465 | |
| 288 | D | A | -2.3433 | |
| 289 | K | A | -3.4339 | |
| 290 | R | A | -3.7784 | |
| 291 | T | A | -2.8872 | |
| 292 | I | A | 0.0000 | |
| 293 | E | A | -4.0547 | |
| 294 | K | A | -4.1687 | |
| 295 | Y | A | -3.0731 | |
| 296 | E | A | -3.5255 | |
| 297 | R | A | -4.6521 | |
| 298 | E | A | -4.8063 | |
| 299 | A | A | -3.3491 | |
| 300 | K | A | -3.8597 | |
| 301 | D | A | -3.8719 | |
| 302 | A | A | -2.0302 | |
| 303 | G | A | -1.5781 | |
| 304 | R | A | -0.7737 | |
| 305 | Q | A | -0.4478 | |
| 306 | G | A | 0.8197 | |
| 307 | W | A | 1.6588 | |
| 308 | Y | A | 2.1077 | |
| 309 | L | A | 2.2675 | |
| 310 | S | A | 1.6274 | |
| 311 | W | A | 1.3785 | |
| 312 | V | A | 1.9284 | |
| 313 | M | A | 0.7677 | |
| 314 | D | A | -1.1143 | |
| 315 | T | A | -1.0678 | |
| 316 | N | A | -2.9727 | |
| 317 | K | A | -3.3021 | |
| 318 | E | A | -4.5737 | |
| 319 | E | A | -4.2609 | |
| 320 | R | A | -4.2096 | |
| 321 | N | A | -3.8812 | |
| 322 | D | A | -3.6856 | |
| 323 | G | A | -2.1811 | |
| 324 | K | A | 0.0000 | |
| 325 | T | A | -0.8445 | |
| 326 | I | A | -0.5180 | |
| 327 | E | A | -2.7038 | |
| 328 | V | A | -1.4822 | |
| 329 | G | A | -3.0754 | |
| 330 | K | A | -2.2484 | |
| 331 | A | A | -0.7129 | |
| 332 | Y | A | -0.2415 | |
| 333 | F | A | 0.0000 | |
| 334 | E | A | -1.9627 | |
| 335 | T | A | -2.3512 | |
| 336 | E | A | -3.2220 | |
| 337 | K | A | -3.3696 | |
| 338 | R | A | 0.0000 | |
| 339 | R | A | -2.2040 | |
| 340 | Y | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | I | A | 0.2610 | |
| 343 | L | A | -0.2007 | |
| 344 | D | A | -1.4283 | |
| 345 | A | A | -0.6571 | |
| 346 | P | A | -1.1772 | |
| 347 | G | A | -0.4914 | |
| 348 | H | A | -0.9937 | |
| 349 | K | A | -0.5694 | |
| 350 | M | A | 1.0375 | |
| 351 | Y | A | 0.9478 | |
| 352 | V | A | 1.6436 | |
| 353 | S | A | 0.2709 | |
| 354 | E | A | -1.0607 | |
| 355 | M | A | 0.2751 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.8043 | |
| 358 | G | A | -0.8190 | |
| 359 | A | A | -0.4138 | |
| 360 | S | A | -0.4700 | |
| 361 | Q | A | -0.3153 | |
| 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 | -0.2421 | |
| 370 | S | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | R | A | -2.3021 | |
| 373 | K | A | -2.6469 | |
| 374 | G | A | -1.9953 | |
| 375 | E | A | -1.7957 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -2.2424 | |
| 378 | T | A | -2.1345 | |
| 379 | G | A | 0.0000 | |
| 380 | F | A | -1.2494 | |
| 381 | E | A | -2.6896 | |
| 382 | R | A | -2.5611 | |
| 383 | G | A | -1.4505 | |
| 384 | G | A | 0.0000 | |
| 385 | Q | A | -0.0763 | |
| 386 | T | A | -0.0942 | |
| 387 | R | A | 0.0000 | |
| 388 | E | A | 0.0000 | |
| 389 | H | A | -0.2776 | |
| 390 | A | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | L | A | 0.1144 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -0.1299 | |
| 395 | T | A | -0.3193 | |
| 396 | Q | A | -0.6288 | |
| 397 | G | A | -0.9925 | |
| 398 | V | A | 0.0000 | |
| 399 | N | A | -1.1124 | |
| 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 | -1.9215 | |
| 410 | D | A | 0.0000 | |
| 411 | P | A | -1.2739 | |
| 412 | T | A | -1.4164 | |
| 413 | V | A | 0.0000 | |
| 414 | N | A | -2.1685 | |
| 415 | W | A | 0.0000 | |
| 416 | S | A | -1.8052 | |
| 417 | K | A | -2.4908 | |
| 418 | E | A | -2.9161 | |
| 419 | R | A | 0.0000 | |
| 420 | Y | A | -1.6209 | |
| 421 | D | A | -2.4825 | |
| 422 | Q | A | -2.3681 | |
| 423 | C | A | 0.0000 | |
| 424 | V | A | -0.9901 | |
| 425 | S | A | -1.3782 | |
| 426 | N | A | -1.7180 | |
| 427 | V | A | 0.0000 | |
| 428 | S | A | -1.5485 | |
| 429 | N | A | -2.2188 | |
| 430 | F | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | R | A | -1.5062 | |
| 433 | A | A | 0.2597 | |
| 434 | I | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | Y | A | 0.8517 | |
| 437 | N | A | -0.7433 | |
| 438 | I | A | -0.3235 | |
| 439 | K | A | -1.4589 | |
| 440 | T | A | -0.7385 | |
| 441 | D | A | -0.5921 | |
| 442 | V | A | -0.1190 | |
| 443 | V | A | 0.3812 | |
| 444 | F | A | 0.6025 | |
| 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 | 0.9488 | |
| 451 | S | A | 0.1644 | |
| 452 | G | A | -0.2588 | |
| 453 | A | A | -1.1128 | |
| 454 | N | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -2.1298 | |
| 457 | D | A | -3.0047 | |
| 458 | H | A | -2.5022 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -2.2218 | |
| 461 | P | A | -1.8896 | |
| 462 | K | A | -2.5734 | |
| 463 | E | A | -2.4265 | |
| 464 | C | A | 0.0000 | |
| 465 | P | A | -1.1394 | |
| 466 | W | A | -0.3735 | |
| 467 | Y | A | -0.3274 | |
| 468 | T | A | -0.1905 | |
| 469 | G | A | -0.4310 | |
| 470 | P | A | -1.1542 | |
| 471 | T | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -2.1017 | |
| 475 | Y | A | -0.5900 | |
| 476 | L | A | 0.0000 | |
| 477 | D | A | 0.0000 | |
| 478 | T | A | -0.9854 | |
| 479 | M | A | 0.0000 | |
| 480 | N | A | -1.1719 | |
| 481 | H | A | -0.9350 | |
| 482 | V | A | 0.0000 | |
| 483 | D | A | 0.0000 | |
| 484 | R | A | -1.1672 | |
| 485 | H | A | -1.0557 | |
| 486 | I | A | 0.0000 | |
| 487 | N | A | -1.6788 | |
| 488 | A | A | -1.1849 | |
| 489 | P | A | -1.1882 | |
| 490 | F | A | 0.0000 | |
| 491 | M | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | P | A | -0.3959 | |
| 494 | I | A | 0.0000 | |
| 495 | A | A | -0.4648 | |
| 496 | A | A | -0.1953 | |
| 497 | K | A | -0.7897 | |
| 498 | M | A | -0.8040 | |
| 499 | K | A | -2.0719 | |
| 500 | D | A | -1.7535 | |
| 501 | L | A | 0.1640 | |
| 502 | G | A | -1.0241 | |
| 503 | T | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | E | A | -1.0757 | |
| 507 | G | A | 0.0000 | |
| 508 | K | A | -2.1616 | |
| 509 | I | A | 0.0000 | |
| 510 | E | A | -1.0961 | |
| 511 | S | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | H | A | -1.1906 | |
| 514 | I | A | 0.0000 | |
| 515 | K | A | -2.4525 | |
| 516 | K | A | -2.8006 | |
| 517 | G | A | -2.2326 | |
| 518 | Q | A | -2.1158 | |
| 519 | S | A | -1.6214 | |
| 520 | T | A | 0.0000 | |
| 521 | L | A | -1.0929 | |
| 522 | L | A | 0.0000 | |
| 523 | M | A | 0.0000 | |
| 524 | P | A | -1.1925 | |
| 525 | N | A | -1.6412 | |
| 526 | K | A | -2.0480 | |
| 527 | T | A | -0.9071 | |
| 528 | A | A | -0.7275 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -2.2276 | |
| 531 | I | A | 0.0000 | |
| 532 | Q | A | -2.2130 | |
| 533 | N | A | -1.8497 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | -2.7614 | |
| 536 | N | A | -3.0956 | |
| 537 | E | A | -3.5359 | |
| 538 | T | A | -2.7149 | |
| 539 | E | A | -3.5706 | |
| 540 | N | A | -3.6005 | |
| 541 | E | A | -3.3492 | |
| 542 | V | A | -2.0130 | |
| 543 | D | A | -2.5827 | |
| 544 | M | A | -1.3949 | |
| 545 | A | A | 0.0000 | |
| 546 | M | A | -1.0851 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.5906 | |
| 549 | E | A | -2.5024 | |
| 550 | Q | A | -2.8895 | |
| 551 | V | A | 0.0000 | |
| 552 | K | A | -2.1137 | |
| 553 | L | A | 0.0000 | |
| 554 | R | A | -1.3527 | |
| 555 | I | A | 0.0000 | |
| 556 | K | A | -2.3206 | |
| 557 | G | A | -1.1309 | |
| 558 | V | A | 0.1032 | |
| 559 | E | A | 0.0000 | |
| 560 | E | A | -2.2034 | |
| 561 | E | A | -2.2440 | |
| 562 | D | A | -1.7010 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -0.7402 | |
| 565 | P | A | 0.0889 | |
| 566 | G | A | 0.0000 | |
| 567 | F | A | 0.3853 | |
| 568 | V | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | S | A | -1.2663 | |
| 572 | P | A | -1.6089 | |
| 573 | K | A | -2.3897 | |
| 574 | N | A | -2.3980 | |
| 575 | P | A | -1.8346 | |
| 576 | I | A | 0.0000 | |
| 577 | K | A | -2.0873 | |
| 578 | S | A | -1.3231 | |
| 579 | V | A | 0.0000 | |
| 580 | T | A | -1.2762 | |
| 581 | K | A | -1.5637 | |
| 582 | F | A | 0.0000 | |
| 583 | V | A | -0.5138 | |
| 584 | A | A | 0.0000 | |
| 585 | Q | A | -0.3891 | |
| 586 | I | A | 0.0000 | |
| 587 | A | A | -0.4088 | |
| 588 | I | A | 0.0000 | |
| 589 | V | A | -0.7475 | |
| 590 | E | A | -1.9347 | |
| 591 | L | A | 0.0000 | |
| 592 | K | A | -1.9590 | |
| 593 | S | A | -0.2779 | |
| 594 | I | A | 2.5157 | |
| 595 | I | A | 3.2591 | |
| 596 | A | A | 1.5999 | |
| 597 | A | A | 0.5833 | |
| 598 | G | A | 0.0404 | |
| 599 | F | A | 0.7978 | |
| 600 | S | A | -0.6633 | |
| 601 | C | A | 0.0000 | |
| 602 | V | A | -0.6860 | |
| 603 | M | A | 0.0000 | |
| 604 | H | A | -0.0957 | |
| 605 | V | A | 0.0000 | |
| 606 | H | A | -0.3214 | |
| 607 | T | A | 0.3199 | |
| 608 | A | A | 0.5896 | |
| 609 | I | A | 1.2660 | |
| 610 | E | A | -0.4513 | |
| 611 | E | A | -1.5150 | |
| 612 | V | A | 0.0000 | |
| 613 | H | A | -0.9531 | |
| 614 | I | A | -0.2875 | |
| 615 | V | A | -0.3784 | |
| 616 | K | A | -1.3284 | |
| 617 | L | A | -0.3081 | |
| 618 | L | A | -0.8850 | |
| 619 | H | A | -2.0104 | |
| 620 | K | A | -2.3561 | |
| 621 | L | A | -2.6832 | |
| 622 | E | A | -3.4251 | |
| 623 | K | A | -3.0976 | |
| 624 | G | A | -2.7107 | |
| 625 | T | A | -2.3304 | |
| 626 | N | A | -3.1335 | |
| 627 | R | A | -4.2030 | |
| 628 | K | A | -3.9008 | |
| 629 | S | A | -3.1798 | |
| 630 | K | A | -3.2545 | |
| 631 | K | A | -2.9494 | |
| 632 | P | A | -1.5488 | |
| 633 | P | A | -0.5535 | |
| 634 | A | A | 1.0507 | |
| 635 | F | A | 2.0770 | |
| 636 | A | A | 0.1203 | |
| 637 | K | A | -1.5785 | |
| 638 | K | A | -2.7496 | |
| 639 | G | A | -1.8333 | |
| 640 | M | A | -1.7816 | |
| 641 | K | A | -1.6456 | |
| 642 | V | A | 0.0000 | |
| 643 | I | A | -0.4383 | |
| 644 | A | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | E | A | -1.4335 | |
| 648 | T | A | 0.0000 | |
| 649 | E | A | -2.3902 | |
| 650 | A | A | -1.3820 | |
| 651 | P | A | -1.1324 | |
| 652 | V | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | V | A | 0.0000 | |
| 655 | E | A | 0.0000 | |
| 656 | T | A | -1.2214 | |
| 657 | Y | A | -1.2375 | |
| 658 | Q | A | -2.0541 | |
| 659 | D | A | -1.6318 | |
| 660 | Y | A | -1.0658 | |
| 661 | P | A | -1.3580 | |
| 662 | Q | A | -1.1460 | |
| 663 | L | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | R | A | -1.3908 | |
| 666 | F | A | 0.0000 | |
| 667 | T | A | 0.1273 | |
| 668 | L | A | 0.0000 | |
| 669 | R | A | -1.4375 | |
| 670 | D | A | -1.7977 | |
| 671 | Q | A | -1.9786 | |
| 672 | G | A | -1.5397 | |
| 673 | T | A | -1.2353 | |
| 674 | T | A | -0.7856 | |
| 675 | I | A | 0.0000 | |
| 676 | A | A | 0.0000 | |
| 677 | I | A | 0.8247 | |
| 678 | G | A | -0.0296 | |
| 679 | K | A | -0.9496 | |
| 680 | I | A | 0.0000 | |
| 681 | V | A | -0.5019 | |
| 682 | K | A | -1.6170 | |
| 683 | I | A | -1.3163 | |
| 684 | A | A | -1.4369 | |
| 685 | E | A | -2.3211 | |
| 17 | L | B | 2.6790 | |
| 18 | V | B | 3.3466 | |
| 19 | F | B | 3.4437 | |
| 20 | F | B | 2.9384 | |
| 21 | A | B | 1.0852 | |
| 22 | E | B | 0.1595 | |
| 23 | D | B | -0.3961 | |
| 24 | V | B | 0.6266 | |
| 25 | G | B | -0.4452 | |
| 26 | S | B | -1.5176 | |
| 27 | N | B | -2.2530 | |
| 28 | K | B | -2.1000 | |
| 29 | G | B | -0.4218 | |
| 30 | A | B | 0.5339 | |
| 31 | I | B | 2.5120 | |
| 32 | I | B | 2.7704 | |
| 33 | G | B | 1.5129 | |
| 34 | L | B | 1.2102 | |
| 35 | M | B | 1.2431 | |
| 36 | V | B | 0.2351 | |
| 37 | G | B | -0.9967 | |
| 38 | G | B | 0.0000 | |
| 39 | V | B | 0.3102 | |
| 40 | V | B | 1.7955 | |
| 41 | I | B | 2.4364 | |
| 42 | A | B | 1.3940 |
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