Project name: 11d51bfd7df150f

Status: done

Started: 2020-04-08 17:19:31
Settings
Chain sequence(s) R: VECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRFLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKL
input PDB
Selected Chain(s) R
Distance of aggregation 10 Å
FoldX usage No
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 R chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Movie:    Creting movie with webm format                                              (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)
Show buried residues

Minimal score value
-3.1857
Maximal score value
1.7668
Average score
-0.3447
Total score value
-71.7015

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
381 V R 0.5451
382 E R -1.1409
383 C R 0.0000
384 D R -1.8619
385 F R -0.8532
386 S R -0.7005
387 P R -0.7273
388 L R 0.0000
389 L R 0.1496
390 S R -0.3884
391 G R -0.7638
392 T R -0.5147
393 P R 0.0000
394 P R 0.0000
395 Q R 0.0000
396 V R 0.0000
397 Y R 0.0000
398 N R -0.4730
399 F R 0.0000
400 K R -1.7868
401 R R -0.8791
402 L R 0.3148
403 V R 1.7668
404 F R 0.0000
405 T R -0.2565
406 N R -1.3136
407 C R -0.7717
408 N R -0.4194
409 Y R 0.0000
410 N R -0.7748
411 L R -0.2040
412 T R -0.4509
413 K R -1.2701
414 L R 0.1331
415 L R 0.7273
416 S R 0.3690
417 L R 0.8737
418 F R 0.5970
419 S R 0.1155
420 V R 0.5456
421 N R -0.4850
422 D R -0.2912
423 F R 1.5259
424 T R 1.0876
425 C R 1.0106
426 S R -0.0055
427 Q R -0.9706
428 I R -0.0202
429 S R -0.3884
430 P R -0.3106
431 A R -0.0284
432 A R 0.1279
433 I R 0.4697
434 A R -0.0098
435 S R -0.0884
436 N R -0.3722
437 C R -0.1058
438 Y R 0.0000
439 S R -0.7559
440 S R 0.0000
441 L R 0.0000
442 I R 0.0000
443 L R 0.0000
444 D R 0.0000
445 Y R 0.0000
446 F R 0.0000
447 S R 0.0000
448 Y R 0.0000
449 P R 0.0000
450 L R -0.4568
451 S R -0.4027
452 M R -0.6094
453 K R -1.2743
454 S R -0.8173
455 D R -0.6978
456 L R -0.2559
457 S R 0.1602
458 V R 1.4958
459 S R 0.4985
460 S R 0.1554
461 A R 0.0219
462 G R -0.3345
463 P R -0.4851
464 I R 0.0000
465 S R -0.2247
466 Q R -0.4250
467 F R 0.0000
468 N R 0.0000
469 Y R 0.0000
470 K R -0.6907
471 Q R -0.2706
472 S R 0.0980
473 F R 1.7546
474 S R 0.3305
475 N R -0.0244
476 P R 0.0000
477 T R 0.0000
478 C R 0.0000
479 L R 0.8945
480 I R 0.9675
481 L R 0.0000
482 A R 0.0000
483 T R -0.1079
484 V R 0.0000
485 P R -0.7475
486 H R -1.5905
487 N R -1.5095
488 L R -0.5497
489 T R -0.7272
490 T R -0.4484
491 I R 0.0000
492 T R -0.6906
493 K R -1.3499
494 P R -0.0891
495 L R 1.1952
496 K R 0.1891
497 Y R 0.0000
498 S R 0.0000
499 Y R -0.2686
500 I R 0.0000
501 N R -1.0277
502 K R -0.8308
503 C R 0.0000
504 S R 0.0000
505 R R -0.3849
506 F R -0.5643
507 L R 0.1414
508 S R -1.3077
509 D R -2.6217
510 D R -3.1857
511 R R -3.0954
512 T R -1.6980
513 E R -1.3435
514 V R 0.3224
515 P R -0.0086
516 Q R 0.0683
517 L R 0.7685
518 V R 0.0000
519 N R -1.4535
520 A R -0.8164
521 N R -0.9434
522 Q R -1.4591
523 Y R -0.2654
524 S R 0.0000
525 P R 0.0540
526 C R 0.0000
527 V R 0.5815
528 S R -0.0214
529 I R -0.3359
530 V R 0.0000
531 P R 0.1793
532 S R -0.0533
533 T R 0.0875
534 V R 0.0000
535 W R -0.1477
536 E R -2.2447
537 D R -2.5671
538 G R -1.6314
539 D R -0.8682
540 Y R 0.1725
541 Y R -0.4863
542 R R -2.3621
543 K R -2.8982
544 Q R -2.4356
545 L R -1.2940
546 S R -0.8020
547 P R -0.4592
548 L R 0.3708
549 E R -1.4547
550 G R -0.6851
551 G R -0.5774
552 G R 0.0000
553 W R -1.3614
554 L R 0.0000
555 V R -0.8593
556 A R 0.0000
557 S R 0.0000
558 G R 0.0000
559 S R -1.1614
560 T R -0.8104
561 V R -0.0371
562 A R -0.0130
563 M R -0.1861
564 T R -0.8945
565 E R -2.0507
566 Q R -1.5108
567 L R 0.0000
568 Q R -0.6026
569 M R 0.0000
570 G R 0.0000
571 F R 0.0000
572 G R 0.0000
573 I R 0.5327
574 T R 0.0000
575 V R 0.0000
576 Q R -0.1780
577 Y R 0.3974
578 G R -0.6584
579 T R -1.0818
580 D R -2.0692
581 T R -1.6423
582 N R -1.7033
583 S R -1.1286
584 V R 0.0000
585 C R -0.2158
586 P R 0.0933
587 K R 0.1619
588 L R 1.1724
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018