| Chain sequence(s) |
A: NANVTSADALIKEQEEEVDDEVVNDMFGGKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VA232A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.129422 kcal/mol |
| 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] FoldX: Building mutant model (00:06:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:26)
[INFO] Main: Simulation completed successfully. (00:06:33)
|
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 | -1.5676 | |
| 230 | A | A | -1.1861 | |
| 231 | N | A | -1.5938 | |
| 232 | A | A | -1.1721 | mutated: VA232A |
| 233 | T | A | -1.1235 | |
| 234 | S | A | -0.9771 | |
| 235 | A | A | -1.2419 | |
| 236 | D | A | -2.1016 | |
| 237 | A | A | -1.6502 | |
| 238 | L | A | -1.8580 | |
| 239 | I | A | -2.0130 | |
| 240 | K | A | -3.6314 | |
| 241 | E | A | -3.9415 | |
| 242 | Q | A | 0.0000 | |
| 243 | E | A | -4.4432 | |
| 244 | E | A | -4.6331 | |
| 245 | E | A | -4.1788 | |
| 246 | V | A | -3.1291 | |
| 247 | D | A | -3.8871 | |
| 248 | D | A | -3.8099 | |
| 249 | E | A | -3.3401 | |
| 250 | V | A | -1.6781 | |
| 251 | V | A | -1.6101 | |
| 252 | N | A | -2.7616 | |
| 253 | D | A | -2.4999 | |
| 254 | M | A | -0.9774 | |
| 255 | F | A | -0.6198 | |
| 256 | G | A | -1.4619 | |
| 257 | G | A | -2.0230 | |
| 258 | K | A | -1.9058 | |
| 259 | D | A | -1.2185 | |
| 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 | -0.8936 | |
| 269 | V | A | -0.9522 | |
| 270 | D | A | -1.9129 | |
| 271 | A | A | 0.0000 | |
| 272 | G | A | -0.4611 | |
| 273 | K | A | 0.0000 | |
| 274 | S | A | -0.2039 | |
| 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 | 0.1853 | |
| 283 | L | A | 0.0646 | |
| 284 | T | A | -0.2949 | |
| 285 | G | A | -0.7352 | |
| 286 | S | A | -0.5749 | |
| 287 | V | A | -0.7906 | |
| 288 | D | A | -2.4915 | |
| 289 | K | A | -3.4297 | |
| 290 | R | A | -3.7600 | |
| 291 | T | A | -2.6820 | |
| 292 | I | A | 0.0000 | |
| 293 | E | A | -3.9135 | |
| 294 | K | A | -4.0248 | |
| 295 | Y | A | -3.0695 | |
| 296 | E | A | -3.9185 | |
| 297 | R | A | -4.8521 | |
| 298 | E | A | -4.2233 | |
| 299 | A | A | 0.0000 | |
| 300 | K | A | -4.7027 | |
| 301 | D | A | -4.0482 | |
| 302 | A | A | -2.9130 | |
| 303 | G | A | -2.6548 | |
| 304 | R | A | -3.0876 | |
| 305 | Q | A | -3.2829 | |
| 306 | G | A | -1.2779 | |
| 307 | W | A | -0.7759 | |
| 308 | Y | A | -1.3977 | |
| 309 | L | A | 0.0000 | |
| 310 | S | A | 0.1383 | |
| 311 | W | A | 0.0000 | |
| 312 | V | A | 0.3445 | |
| 313 | M | A | 0.0000 | |
| 314 | D | A | 0.0000 | |
| 315 | T | A | -1.2938 | |
| 316 | N | A | -2.4159 | |
| 317 | K | A | -3.5533 | |
| 318 | E | A | -3.8746 | |
| 319 | E | A | 0.0000 | |
| 320 | R | A | -2.8671 | |
| 321 | N | A | -3.6551 | |
| 322 | D | A | -3.3949 | |
| 323 | G | A | -2.3539 | |
| 324 | K | A | -2.0238 | |
| 325 | T | A | 0.0000 | |
| 326 | I | A | -1.0165 | |
| 327 | E | A | -1.8271 | |
| 328 | V | A | -0.8998 | |
| 329 | G | A | -0.8035 | |
| 330 | K | A | -1.0460 | |
| 331 | A | A | -0.3235 | |
| 332 | Y | A | -0.2598 | |
| 333 | F | A | 0.0000 | |
| 334 | E | A | -1.7685 | |
| 335 | T | A | -2.0342 | |
| 336 | E | A | -2.7574 | |
| 337 | K | A | -2.7173 | |
| 338 | R | A | 0.0000 | |
| 339 | R | A | 0.0000 | |
| 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 | -0.6700 | |
| 349 | K | A | -1.0461 | |
| 350 | M | A | 0.1430 | |
| 351 | Y | A | -0.2449 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -0.3154 | |
| 354 | E | A | -1.0243 | |
| 355 | M | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.3077 | |
| 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 | -0.4442 | |
| 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 | -2.3113 | |
| 373 | K | A | -2.5626 | |
| 374 | G | A | -1.8723 | |
| 375 | E | A | -1.8737 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -2.2538 | |
| 378 | T | A | -2.0302 | |
| 379 | G | A | 0.0000 | |
| 380 | F | A | -1.9237 | |
| 381 | E | A | -3.1714 | |
| 382 | R | A | -3.0360 | |
| 383 | G | A | -2.1793 | |
| 384 | G | A | 0.0000 | |
| 385 | Q | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | R | A | -1.4924 | |
| 388 | E | A | -1.0852 | |
| 389 | H | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | L | A | -0.0306 | |
| 392 | L | A | 0.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -0.6691 | |
| 395 | T | A | 0.0000 | |
| 396 | Q | A | 0.0000 | |
| 397 | G | A | -0.7821 | |
| 398 | V | A | 0.0000 | |
| 399 | N | A | -1.7520 | |
| 400 | K | A | -1.2854 | |
| 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 | -1.4132 | |
| 410 | D | A | 0.0000 | |
| 411 | P | A | -0.9476 | |
| 412 | T | A | -1.1750 | |
| 413 | V | A | 0.0000 | |
| 414 | N | A | -2.1143 | |
| 415 | W | A | 0.0000 | |
| 416 | S | A | -1.9988 | |
| 417 | K | A | -2.5136 | |
| 418 | E | A | -3.0228 | |
| 419 | R | A | 0.0000 | |
| 420 | Y | A | -1.8262 | |
| 421 | D | A | -2.9867 | |
| 422 | Q | A | -2.3448 | |
| 423 | C | A | 0.0000 | |
| 424 | V | A | -1.0951 | |
| 425 | S | A | -1.4062 | |
| 426 | N | A | -1.4916 | |
| 427 | V | A | 0.0000 | |
| 428 | S | A | -1.4834 | |
| 429 | N | A | -1.8786 | |
| 430 | F | A | -1.1174 | |
| 431 | L | A | 0.0000 | |
| 432 | R | A | -2.1500 | |
| 433 | A | A | -0.9508 | |
| 434 | I | A | -0.5093 | |
| 435 | G | A | -0.9673 | |
| 436 | Y | A | 0.0000 | |
| 437 | N | A | -2.2279 | |
| 438 | I | A | -1.7144 | |
| 439 | K | A | -1.9589 | |
| 440 | T | A | -1.3814 | |
| 441 | D | A | -1.3756 | |
| 442 | V | A | 0.0000 | |
| 443 | V | A | 0.2078 | |
| 444 | F | A | 0.3409 | |
| 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 | 0.5508 | |
| 451 | S | A | 0.0540 | |
| 452 | G | A | 0.0000 | |
| 453 | A | A | -1.1035 | |
| 454 | N | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -2.4273 | |
| 457 | D | A | -2.9754 | |
| 458 | H | A | -2.2570 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -2.8314 | |
| 461 | P | A | -2.3379 | |
| 462 | K | A | -3.1236 | |
| 463 | E | A | -3.4063 | |
| 464 | C | A | 0.0000 | |
| 465 | P | A | -1.4559 | |
| 466 | W | A | -0.4830 | |
| 467 | Y | A | -0.2959 | |
| 468 | T | A | -0.1545 | |
| 469 | G | A | -0.2375 | |
| 470 | P | A | -0.8813 | |
| 471 | T | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -1.5574 | |
| 475 | Y | A | -0.4223 | |
| 476 | L | A | 0.0000 | |
| 477 | D | A | -1.3710 | |
| 478 | T | A | -0.8966 | |
| 479 | M | A | -0.8701 | |
| 480 | N | A | -1.8213 | |
| 481 | H | A | -1.9226 | |
| 482 | V | A | -1.3408 | |
| 483 | D | A | -2.2548 | |
| 484 | R | A | -1.6116 | |
| 485 | H | A | -1.3007 | |
| 486 | I | A | -0.7143 | |
| 487 | N | A | -1.8412 | |
| 488 | A | A | 0.0000 | |
| 489 | P | A | -0.4500 | |
| 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 | -0.1682 | |
| 496 | A | A | -0.3087 | |
| 497 | K | A | -1.3469 | |
| 498 | M | A | -1.4490 | |
| 499 | K | A | -2.8160 | |
| 500 | D | A | -1.9932 | |
| 501 | L | A | 0.1913 | |
| 502 | G | A | -1.3868 | |
| 503 | T | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | E | A | -0.4748 | |
| 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 | -1.9551 | |
| 516 | K | A | -2.8372 | |
| 517 | G | A | -2.2559 | |
| 518 | Q | A | -1.7373 | |
| 519 | S | A | -1.4618 | |
| 520 | T | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | M | A | 0.0000 | |
| 524 | P | A | -1.2772 | |
| 525 | N | A | -2.3339 | |
| 526 | K | A | -2.3589 | |
| 527 | T | A | -1.4924 | |
| 528 | A | A | -1.1630 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -2.4191 | |
| 531 | I | A | 0.0000 | |
| 532 | Q | A | -1.9059 | |
| 533 | N | A | -1.9466 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | -2.1457 | |
| 536 | N | A | -1.8391 | |
| 537 | E | A | -1.4859 | |
| 538 | T | A | -1.6692 | |
| 539 | E | A | -2.9921 | |
| 540 | N | A | -3.0049 | |
| 541 | E | A | -3.1966 | |
| 542 | V | A | -2.1889 | |
| 543 | D | A | -2.6635 | |
| 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 | -1.2814 | |
| 553 | L | A | 0.0000 | |
| 554 | R | A | -1.3658 | |
| 555 | I | A | 0.0000 | |
| 556 | K | A | -2.8058 | |
| 557 | G | A | -1.9249 | |
| 558 | V | A | 0.0000 | |
| 559 | E | A | -3.8205 | |
| 560 | E | A | -3.4399 | |
| 561 | E | A | -3.7023 | |
| 562 | D | A | -3.5535 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -0.6935 | |
| 565 | P | A | 0.1230 | |
| 566 | G | A | 0.4277 | |
| 567 | F | A | 0.0869 | |
| 568 | V | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | S | A | -0.9647 | |
| 572 | P | A | -1.4359 | |
| 573 | K | A | -2.0108 | |
| 574 | N | A | -1.4686 | |
| 575 | P | A | -1.2635 | |
| 576 | I | A | 0.0000 | |
| 577 | K | A | -1.0671 | |
| 578 | S | A | -1.1191 | |
| 579 | V | A | 0.0000 | |
| 580 | T | A | -1.4039 | |
| 581 | K | A | -1.7050 | |
| 582 | F | A | 0.0000 | |
| 583 | V | A | -0.6131 | |
| 584 | A | A | 0.0000 | |
| 585 | Q | A | -0.6109 | |
| 586 | I | A | 0.0000 | |
| 587 | A | A | -0.5428 | |
| 588 | I | A | 0.0000 | |
| 589 | V | A | -0.6240 | |
| 590 | E | A | -1.7897 | |
| 591 | L | A | -1.6870 | |
| 592 | K | A | -2.1235 | |
| 593 | S | A | -1.0157 | |
| 594 | I | A | 0.3063 | |
| 595 | I | A | 0.0000 | |
| 596 | A | A | 0.3784 | |
| 597 | A | A | -0.2194 | |
| 598 | G | A | -0.6010 | |
| 599 | F | A | 0.0386 | |
| 600 | S | A | -0.3618 | |
| 601 | C | A | 0.0000 | |
| 602 | V | A | 0.2510 | |
| 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 | 0.8905 | |
| 609 | I | A | 1.7321 | |
| 610 | E | A | -0.0390 | |
| 611 | E | A | -1.2730 | |
| 612 | V | A | 0.0000 | |
| 613 | H | A | -1.1515 | |
| 614 | I | A | 0.0000 | |
| 615 | V | A | -0.6547 | |
| 616 | K | A | -1.2853 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -1.1130 | |
| 619 | H | A | -2.4375 | |
| 620 | K | A | -2.7199 | |
| 621 | L | A | 0.0000 | |
| 622 | E | A | -3.3777 | |
| 623 | K | A | -3.0425 | |
| 624 | G | A | -2.0491 | |
| 625 | T | A | -2.2852 | |
| 626 | N | A | -3.2970 | |
| 627 | R | A | -4.0897 | |
| 628 | K | A | -4.0054 | |
| 629 | S | A | -3.2913 | |
| 630 | K | A | -3.3575 | |
| 631 | K | A | -3.0264 | |
| 632 | P | A | -1.8470 | |
| 633 | P | A | -0.7663 | |
| 634 | A | A | 0.0693 | |
| 635 | F | A | 0.8863 | |
| 636 | A | A | 0.0000 | |
| 637 | K | A | -1.8458 | |
| 638 | K | A | -2.6476 | |
| 639 | G | A | -1.6141 | |
| 640 | M | A | -1.4450 | |
| 641 | K | A | -1.7679 | |
| 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 | -1.9630 | |
| 648 | T | A | 0.0000 | |
| 649 | E | A | -2.5167 | |
| 650 | A | A | -1.3879 | |
| 651 | P | A | -1.1187 | |
| 652 | V | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | V | A | 0.0000 | |
| 655 | E | A | -1.1532 | |
| 656 | T | A | -1.3652 | |
| 657 | Y | A | -1.2405 | |
| 658 | Q | A | -2.1196 | |
| 659 | D | A | -2.2136 | |
| 660 | Y | A | -1.0641 | |
| 661 | P | A | -0.9763 | |
| 662 | Q | A | -0.8204 | |
| 663 | L | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | R | A | -0.4673 | |
| 666 | F | A | 0.0000 | |
| 667 | T | A | 0.0000 | |
| 668 | L | A | 0.0000 | |
| 669 | R | A | 0.0000 | |
| 670 | D | A | -0.9571 | |
| 671 | Q | A | -1.4346 | |
| 672 | G | A | -1.1082 | |
| 673 | T | A | -1.2503 | |
| 674 | T | A | 0.0000 | |
| 675 | I | A | 0.0000 | |
| 676 | A | A | 0.0000 | |
| 677 | I | A | 0.2926 | |
| 678 | G | A | 0.0000 | |
| 679 | K | A | -0.8936 | |
| 680 | I | A | 0.0000 | |
| 681 | V | A | -0.8753 | |
| 682 | K | A | -1.7323 | |
| 683 | I | A | -1.0636 | |
| 684 | A | A | -1.3852 | |
| 685 | E | A | -2.1457 |
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