Project name: 2v1a

Status: done

Started: 2025-08-12 15:05:08
Settings
Chain sequence(s) A: FLATTLERIEKNFVVITDPRLPDNPIIFASDSSFLQLTEYSREEILGRNCCRFLQGPETDDRATVRKIRDAIDNQTTEVTVQLINYTKSGKKFWNLFHLQPMMRDQKGDVQYFIGVQLDGTEHVRDAAEEREGVMLIKKTAENIDEAAKEL
input PDB
Selected Chain(s) A
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 A 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                                          (00:04:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:06)
Show buried residues

Minimal score value
-3.9141
Maximal score value
2.2208
Average score
-1.3875
Total score value
-199.7994

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
mutation
403 F A 2.1358
404 L A 2.2208
405 A A 0.7534
406 T A 0.1935
407 T A -0.4208
408 L A 0.0000
409 E A 0.0000
410 R A -2.3462
411 I A -1.6081
412 E A -2.4670
413 K A -1.6216
414 N A -1.2366
415 F A 0.0000
416 V A 0.0000
417 I A 0.0000
418 T A 0.0000
419 D A -0.9425
420 P A -1.3853
421 R A -2.0496
422 L A -1.0385
423 P A -1.5914
424 D A -2.4785
425 N A -1.6841
426 P A 0.0000
427 I A 0.0000
428 I A 0.3787
429 F A 0.4399
430 A A 0.0000
431 S A 0.0000
432 D A -1.4323
433 S A -1.5955
434 F A 0.0000
435 L A -0.9518
436 Q A -1.3587
437 L A -0.8784
438 T A 0.0000
439 E A -1.5427
440 Y A -1.2964
441 S A -1.1389
442 R A 0.0000
443 E A -1.6094
444 E A -1.9082
445 I A 0.0000
446 L A -0.6247
447 G A -1.3326
448 R A -1.9042
449 N A -1.6401
450 C A -1.0881
451 R A -1.5082
452 F A -0.7894
453 L A 0.0000
454 Q A -1.5106
455 G A -1.6107
456 P A -1.5417
457 E A -2.5733
458 T A 0.0000
459 D A -3.3062
460 R A -3.6066
461 A A -2.4699
462 T A -2.3581
463 V A -2.8821
464 R A -3.7730
465 K A -3.2038
466 I A -2.4306
467 R A -3.1816
468 D A -3.4798
469 A A 0.0000
470 I A -2.5966
471 D A -3.0427
472 N A -2.9926
473 Q A -2.8045
474 T A -1.9810
475 E A -2.1560
476 V A -1.2465
477 T A -0.5832
478 V A 0.0000
479 Q A -0.7389
480 L A 0.0000
481 I A -1.3904
482 N A 0.0000
483 Y A -1.7560
484 T A 0.0000
485 K A -1.9726
486 S A -1.7689
487 G A -2.2607
488 K A -3.0511
489 K A -3.0435
490 F A 0.0000
491 W A -1.1976
492 N A 0.0000
493 L A 0.0000
494 F A 0.0227
495 H A -0.4484
496 L A 0.0000
497 Q A -1.5625
498 P A -1.3839
499 M A 0.0000
500 R A -3.5732
501 D A -3.4489
502 Q A -3.1505
503 K A -3.3371
504 G A -3.0491
505 D A -3.4694
506 V A 0.0000
507 Q A -1.8708
508 Y A -0.9926
509 F A 0.0000
510 I A 0.0000
511 G A 0.0000
512 V A 0.0000
513 Q A 0.0000
514 L A -0.2629
515 D A -1.6571
516 G A -1.5872
517 T A -1.6324
518 E A -2.5780
519 H A -2.1463
520 V A -2.5208
521 R A -3.7280
522 D A -3.5447
523 A A -2.5032
524 A A -2.4057
525 E A -3.1972
526 R A -3.4553
527 E A -2.8408
528 G A 0.0000
529 V A -1.0011
530 M A -1.0902
531 L A -0.6713
532 I A 0.0000
533 K A -2.1702
534 K A -2.8448
535 T A 0.0000
536 A A 0.0000
537 E A -3.9141
538 N A -3.3855
539 I A 0.0000
540 D A -3.3153
541 E A -3.5362
542 A A -2.1563
543 A A 0.0000
544 K A -3.2659
545 E A -2.2688
546 L A 0.0021
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Laboratory of Theory of Biopolymers 2018