Project name: ce3fc2919c37b3c

Status: done

Started: 2025-02-12 19:23:55
Settings
Chain sequence(s) A: YEVRNASGLYHVTNDCSNASIVYETTDMIMHTPGCVPCVREDNSSRCWVALTPTLAARNASVPTVAIRRHVDLLVGAAAFCSAMYVGDLCGSVFLVSQLFTFSPRRHETVQDCNCSIYPGHVSGHRMAWDMMMNWSPTAALVVSQLLRIPQAVVDMVAGAHWGILAGLAYYSMVGNWAKVLIVMLLFTGVDG
B: VQLINTNGSWHINRTALNCNDSLHTGFLAALFYTHKFNASGCPERMAHCRPIDEFAQGWGPITYAEGHGSDQRPYCWHYAPRQCGTIPASQVCGPVYCFTPSPVVVGTTDRFGAPTYTWGENETDVLILNNTRPPQGNWFGCTWMNSTGFTKTCGGPPCNIGGVGNNTLTCPTDCFRKHPEATYTKCGSGPWLTPRCLVDYPYRLWHYPCTVNFTIFKVRMYVGGVEHRLNAACNWTRGERCDLQDRDRSELSPLLLSTTEWQILPCSFTTLPALSTGLIHLHQNIVDVQYLYGIGSAVVSFAIKWEYVVLLFLLLADARVCACLWMMLLIVQ
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:23)
Show buried residues

Minimal score value
-3.0793
Maximal score value
3.6785
Average score
-0.087
Total score value
-45.6838

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
192 Y A 0.4951
193 E A 0.1204
194 V A 0.0455
195 R A -1.0263
196 N A -1.0540
197 A A -0.8493
198 S A -0.5392
199 G A -0.7652
200 L A -0.6186
201 Y A -0.3581
202 H A -0.5093
203 V A 0.0000
204 T A 0.0000
205 N A 0.0000
206 D A 0.0000
207 C A 0.0000
208 S A -0.5815
209 N A -1.4976
210 A A -0.6300
211 S A 0.0000
212 I A -0.3153
213 V A -0.1707
214 Y A -0.1251
215 E A -0.9102
216 T A -0.9084
217 T A -1.1743
218 D A -1.8417
219 M A 0.0000
220 I A 0.0000
221 M A 0.0000
222 H A 0.0000
223 T A 0.1768
224 P A 0.0000
225 G A 0.0000
226 C A 0.0000
227 V A 0.0000
228 P A 0.0000
229 C A 0.0000
230 V A 0.0000
231 R A -2.8375
232 E A -2.7502
233 D A -2.8002
234 N A -2.4866
235 S A -2.2468
236 S A -2.5853
237 R A -2.4792
238 C A -1.1549
239 W A 0.0000
240 V A 0.1586
241 A A 0.4198
242 L A 0.2454
243 T A 0.1734
244 P A 0.0623
245 T A 0.0000
246 L A 0.0000
247 A A 0.0000
248 A A 0.0000
249 R A -2.3807
250 N A -1.8929
251 A A -0.6669
252 S A -0.6541
253 V A -0.4257
254 P A 0.2254
255 T A 0.5955
256 V A 1.1680
257 A A 0.1527
258 I A 0.0000
259 R A -0.2487
260 R A -0.6598
261 H A -0.3994
262 V A 0.0000
263 D A 0.0000
264 L A 0.9800
265 L A 0.0000
266 V A 0.0000
267 G A 1.1754
268 A A 1.0331
269 A A 0.0000
270 A A 0.0000
271 F A 2.4128
272 C A 0.0000
273 S A 0.0000
274 A A 1.7942
275 M A 2.3809
276 Y A 2.3703
277 V A 2.0347
278 G A 0.0000
279 D A 0.5819
280 L A 2.2028
281 C A 1.8993
282 G A 0.0000
283 S A 1.9498
284 V A 2.8019
285 F A 2.0864
286 L A 2.3008
287 V A 3.4085
288 S A 2.7995
289 Q A 0.0000
290 L A 3.6785
291 F A 3.6159
292 T A 2.3961
293 F A 2.6476
294 S A 0.5054
295 P A -0.9505
296 R A -2.4280
297 R A -3.0793
298 H A -2.6129
299 E A -2.9082
300 T A 0.0000
301 V A -1.4763
302 Q A -1.6914
303 D A -2.4033
304 C A -1.8978
305 N A -1.6692
306 C A 0.0000
307 S A 0.3800
308 I A 1.4303
309 Y A 0.8228
310 P A 0.0114
311 G A -0.6368
312 H A -1.2434
313 V A -0.8059
314 S A -1.0391
315 G A -1.0741
316 H A -1.0521
317 R A -0.9516
318 M A -0.3985
319 A A -0.2162
320 W A 0.0395
321 D A 0.0000
322 M A 0.6307
323 M A 0.8385
324 M A 0.0000
325 N A 0.0000
326 W A 1.3461
327 S A 0.5585
328 P A 0.7391
329 T A 0.8087
330 A A 0.9629
331 A A 0.0000
332 L A 1.6042
333 V A 2.3005
334 V A 1.8969
335 S A 1.2127
336 Q A 0.8262
337 L A 2.0377
338 L A 1.1628
339 R A 0.3297
340 I A 1.1167
341 P A 0.5941
342 Q A 0.2465
343 A A 0.0000
344 V A 1.9424
345 V A 2.2132
346 D A 0.8652
347 M A 0.0000
348 V A 2.5557
349 A A 1.2290
350 G A 0.7678
351 A A 0.8868
352 H A 0.0000
353 W A 1.6127
354 G A 1.0535
355 I A 0.0000
356 L A 1.3807
357 A A 0.9016
358 G A 0.0000
359 L A 0.9947
360 A A 0.7131
361 Y A 1.0622
362 Y A 0.0000
363 S A 0.8264
364 M A 1.4869
365 V A 1.3861
366 G A 0.5003
367 N A 0.5809
368 W A 1.4978
369 A A 0.9968
370 K A 0.0000
371 V A 1.2462
372 L A 1.8273
373 I A 1.4263
374 V A 0.0000
375 M A 1.1834
376 L A 1.2005
377 L A 0.0000
378 F A 0.0000
379 T A 0.0000
380 G A 0.0000
381 V A 0.0000
382 D A -0.4112
383 G A -0.2493
411 V B 2.0611
412 Q B 0.3049
413 L B 0.8449
414 I B 0.9773
415 N B -0.1121
416 T B -0.7107
417 N B -1.3899
418 G B -0.9977
419 S B -0.5875
420 W B -0.1843
421 H B -0.1242
422 I B 0.7474
423 N B 0.3991
424 R B 0.3351
425 T B 0.0000
426 A B 0.0000
427 L B -0.2881
428 N B -0.9960
429 C B -0.8396
430 N B -1.5070
431 D B -0.9367
432 S B -0.3986
433 L B 0.5840
434 H B -0.6782
435 T B -0.2531
436 G B -0.4055
437 F B 0.0000
438 L B 0.3910
439 A B 0.8030
440 A B 0.6285
441 L B 0.0000
442 F B 2.6931
443 Y B 1.8965
444 T B 0.2241
445 H B -1.0804
446 K B -2.0989
447 F B -1.3417
448 N B -1.7638
449 A B -1.1634
450 S B -1.0845
451 G B -1.3659
452 C B -1.3343
453 P B -1.6860
454 E B -2.8652
455 R B -2.7964
456 M B -1.5787
457 A B -1.6199
458 H B -1.9873
459 C B -1.2451
460 R B -1.4974
461 P B -1.4391
462 I B 0.0000
463 D B -2.0426
464 E B -2.3378
465 F B 0.0000
466 A B -0.5855
467 Q B -0.2946
468 G B 0.0000
469 W B 0.3458
470 G B -0.3560
471 P B -0.4981
472 I B -0.1579
473 T B 0.0080
474 Y B 0.3766
475 A B -1.0978
476 E B -2.4733
477 G B 0.0000
478 H B -2.2805
479 G B -1.7626
480 S B -1.6001
481 D B -1.7139
482 Q B -1.9048
483 R B -1.8268
484 P B -0.6224
485 Y B -0.5196
486 C B 0.0000
487 W B 0.0000
488 H B -0.3237
489 Y B -0.6641
490 A B 0.0000
491 P B 0.0000
492 R B -2.9691
493 Q B -2.5916
494 C B 0.0000
495 G B -1.1083
496 T B -0.3709
497 I B -0.1039
498 P B -0.9987
499 A B 0.0000
500 S B -1.6686
501 Q B -1.4238
502 V B 0.0000
503 C B 0.0000
504 G B 0.0000
505 P B 0.0000
506 V B 0.0000
507 Y B 0.0000
508 C B 0.0000
509 F B 0.0000
510 T B -0.1350
511 P B 0.0000
512 S B -0.5786
513 P B 0.0254
514 V B 0.4701
515 V B 0.4715
516 V B 0.5285
517 G B 0.0000
518 T B 0.0000
519 T B -0.1373
520 D B -0.9046
521 R B -1.0935
522 F B 0.8733
523 G B 0.1157
524 A B -0.0930
525 P B -0.1894
526 T B -0.1562
527 Y B 0.4736
528 T B -0.1298
529 W B -0.1134
530 G B 0.0000
531 E B -2.3930
532 N B -2.4140
533 E B -2.7275
534 T B -1.8207
535 D B 0.0000
536 V B -0.8031
537 L B 0.0000
538 I B 0.1825
539 L B 0.0000
540 N B -1.4985
541 N B -1.1308
542 T B -1.0637
543 R B 0.0000
544 P B 0.0000
545 P B -0.9987
546 Q B -1.5979
547 G B -1.3417
548 N B -1.1825
549 W B -0.5866
550 F B 0.0000
551 G B 0.0000
552 C B 0.0000
553 T B 0.0000
554 W B 0.0000
555 M B 0.0000
556 N B -0.3828
557 S B -0.7182
558 T B -0.2370
559 G B 0.3447
560 F B 1.3631
561 T B 0.3687
562 K B -0.2989
563 T B -0.5418
564 C B 0.0000
565 G B 0.0000
566 G B 0.0000
567 P B -1.1126
568 P B 0.0000
569 C B 0.0000
570 N B -0.4547
571 I B 0.0000
572 G B 0.0335
573 G B 0.2976
574 V B 1.1662
575 G B -0.3671
576 N B -1.2995
577 N B -1.0535
578 T B -0.6550
579 L B 0.0000
580 T B -0.2109
581 C B 0.0000
582 P B 0.0000
583 T B 0.0000
584 D B 0.0000
585 C B 0.0000
586 F B 0.0000
587 R B 0.0000
588 K B 0.0000
589 H B 0.0000
590 P B -0.8650
591 E B -1.8631
592 A B 0.0000
593 T B -0.8403
594 Y B 0.0000
595 T B -0.5482
596 K B -0.7341
597 C B 0.0000
598 G B 0.0000
599 S B 0.0000
600 G B 0.0000
601 P B 0.0000
602 W B 0.0000
603 L B 0.0000
604 T B 0.0000
605 P B 0.0000
606 R B -0.6669
607 C B 0.0000
608 L B 0.0000
609 V B 0.0000
610 D B -0.2743
611 Y B 0.0000
612 P B -0.1736
613 Y B 0.0000
614 R B 0.0000
615 L B 0.2654
616 W B 0.0000
617 H B 0.0000
618 Y B 0.0000
619 P B -0.1147
620 C B -0.2839
621 T B 0.0000
622 V B -0.2159
623 N B -0.8920
624 F B 0.0000
625 T B 0.4641
626 I B 1.2312
627 F B 0.0847
628 K B -1.7378
629 V B 0.0000
630 R B -1.3702
631 M B 0.0000
632 Y B 0.4541
633 V B 0.0000
634 G B -0.3619
635 G B 0.1675
636 V B 1.0142
637 E B -0.3920
638 H B -0.9306
639 R B -2.2789
640 L B 0.0000
641 N B -1.1434
642 A B 0.0000
643 A B 0.0000
644 C B 0.0000
645 N B -1.0207
646 W B -1.1797
647 T B -1.8270
648 R B -2.6262
649 G B -2.2462
650 E B -2.7229
651 R B -3.0101
652 C B -2.1722
653 D B -2.1384
654 L B -0.9487
655 Q B -1.2033
656 D B -1.2912
657 R B 0.0000
658 D B 0.0000
659 R B 0.0000
660 S B 0.0000
661 E B -0.2478
662 L B 0.0000
663 S B -0.0359
664 P B 0.0000
665 L B 0.4051
666 L B 1.2180
667 L B 1.3635
668 S B 0.6137
669 T B 0.2623
670 T B 0.0000
671 E B 0.1261
672 W B 0.0000
673 Q B -0.0051
674 I B 0.0000
675 L B 0.0000
676 P B 0.0000
677 C B 0.0000
678 S B 0.0000
679 F B 0.0000
680 T B 0.0000
681 T B -0.0306
682 L B 0.0000
683 P B 0.2512
684 A B 0.4270
685 L B 1.1825
686 S B 0.7106
687 T B 0.5626
688 G B 0.0000
689 L B 0.0000
690 I B 0.0000
691 H B 0.0284
692 L B -0.0841
693 H B -0.7254
694 Q B -1.7160
695 N B -1.3912
696 I B -0.0025
697 V B -0.5918
698 D B -0.1446
699 V B 0.0000
700 Q B 0.0000
701 Y B 0.0666
702 L B 0.0000
703 Y B 0.4081
704 G B 0.1752
705 I B 0.4300
706 G B 0.0000
707 S B 1.0506
708 A B 1.4469
709 V B 2.2127
710 V B 1.3798
711 S B 1.0758
712 F B 2.0399
713 A B 1.0024
714 I B 0.0000
715 K B -0.9604
716 W B -0.5891
717 E B -0.5217
718 Y B 0.1539
719 V B 0.0000
720 V B 0.0000
721 L B 0.5565
722 L B 0.0000
723 F B 0.0000
724 L B 0.0000
725 L B 0.2775
726 L B 0.0000
727 A B 0.0000
728 D B -0.2999
729 A B 0.0000
730 R B -0.8403
731 V B 1.3105
732 C B 1.1777
733 A B 0.0000
734 C B 1.8662
735 L B 2.0987
736 W B 1.8894
737 M B 2.4414
738 M B 2.7348
739 L B 2.4034
740 L B 2.2667
741 I B 3.1683
742 V B 2.6683
743 Q B 0.5935
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Laboratory of Theory of Biopolymers 2018