Project name: GAA

Status: done

Started: 2026-07-27 20:25:50
Settings
Chain sequence(s) A: PTQCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQMGQPWCFFPPSYPSYKLENLSSSEMGYTTATLTRTTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETPSPLYSVEFSEEPFGVIVHRQLDGRVLLNTTVAPLFFADQFLQLSTSLPSQYITGLAEHLSPLMLSTSWTRRITLWNRDLAPTPGANLYGSHPFYLALEDGGSAHGVFLLNSNAMDVVLQPSPALSWRSTGGILDVYIFLGPEPKSVVQQYLDVVGYPFMPPYWGLGFHLCRWGYSSTAITRQVVENMTRAHFPLDVQWNDLDYMDSRRRDFTFNKDGFRDFPAMVQELHQGGRRYMMIVDPAISSSGPAGSYRPYDEGLRRGVFITNETGQPLIGKVWPGSTAFPDFTNPTALAWWEDMVAEFHDQVPFDGMWIDMNEPSNFIRRGSEDGCPNNELENPPYVPGVVGGTLQQAATICASSHHQFLSTHYNLHNLYGLTEAIASHRALVKARGTRPFVISRSTFAGHGRYAGHWTGDVWSSWEQLASSVPEILQFNLLGVPLVGADVCGFLGNTSEELCVRWTQLGAFYPFMRNHNSSLLSLPQEPYSFSEPAQQAMRKALTLRYALLPHLYTLFHQAHVAGETVARPLFLEFPKDSSTWTVDHQLLWGEALLITPVLQAGKAEVTGYFPLGTWYDLQTVPIEPREPAIHSEGQWVTLPAPLDTINVHLRAGYIIPLQGPGLTTTESRQQPMALAVALTKGGEARGELFWDDGESLEVLERGAYTQVIFLARNNTIVNELVRVTSEGAGLQLQKVTVLGVATAPQQVLSNGVPVSNFTYSPDTKVLDICVSSLLMGEQFLVSWC
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]                                                (00:00:01)
[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 minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:06)
Show buried residues

Minimal score value
-3.7836
Maximal score value
2.0889
Average score
-0.4791
Total score value
-407.2172

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
79 P A -0.9702
80 T A -1.1783
81 Q A -1.7090
82 C A 0.0000
83 D A -2.1393
84 V A -1.2498
85 P A -0.9250
86 P A -0.7078
87 N A -0.9490
88 S A -0.5334
89 R A -0.6165
90 F A 0.0000
91 D A -0.3296
92 C A 0.0000
93 A A -0.6189
94 P A -0.6348
95 D A -1.1664
96 K A -1.8141
97 A A -0.8005
98 I A -0.9964
99 T A -1.4963
100 Q A -2.3193
101 E A -3.2449
102 Q A -2.5154
103 C A 0.0000
104 E A -3.0813
105 A A -2.0188
106 R A -1.5721
107 G A -1.2695
108 C A 0.0000
109 C A 0.0000
110 Y A -0.2249
111 I A 0.5078
112 P A -0.1569
113 A A -0.9505
114 K A -2.1465
115 Q A -2.1055
122 M A 0.3227
123 G A -0.3047
124 Q A -0.5187
125 P A 0.0000
126 W A 0.6677
127 C A 0.0000
128 F A 0.0000
129 F A 0.0000
130 P A 0.0000
131 P A -0.6957
132 S A -0.8362
133 Y A 0.0000
134 P A -0.6877
135 S A -0.7746
136 Y A 0.0000
137 K A -2.4619
138 L A 0.0000
139 E A -2.0924
140 N A -1.3301
141 L A -0.2754
142 S A -0.2773
143 S A -0.5116
144 S A -0.7885
145 E A -1.5287
146 M A -0.2765
147 G A 0.0000
148 Y A 0.1952
149 T A -0.1586
150 A A 0.0000
151 T A -1.0673
152 L A 0.0000
153 T A -0.6128
154 R A 0.0000
155 T A -0.1811
156 T A -0.1220
157 P A -0.4356
158 T A -0.3115
159 F A -0.0815
160 F A 0.0000
161 P A -1.1879
162 K A -1.9487
163 D A -0.9690
164 I A -0.2851
165 L A 0.3819
166 T A -0.1068
167 L A 0.0000
168 R A -1.2192
169 L A 0.0000
170 D A 0.0000
171 V A 0.0000
172 M A 0.0425
173 M A -0.4155
174 E A -0.9378
175 T A -1.4076
176 E A -2.2454
177 N A -1.5486
178 R A -1.1845
179 L A 0.0000
180 H A 0.0000
181 F A 0.0000
182 T A 0.0000
183 I A 0.0000
184 K A -1.4478
185 D A 0.0000
186 P A -1.3720
187 A A -1.2470
188 N A -2.3577
189 R A -2.7757
190 R A -1.7615
191 Y A -0.7874
192 E A -0.9793
193 V A 0.0000
194 P A -0.4682
195 L A -0.7445
196 E A -1.7682
197 T A -1.1238
198 P A -0.9805
206 S A -0.8079
207 P A -1.1593
208 L A -0.6046
209 Y A 0.0000
210 S A -0.4388
211 V A -0.7383
212 E A -1.7991
213 F A -1.1302
214 S A -1.8059
215 E A -3.2027
216 E A -3.2320
217 P A -1.9809
218 F A 0.0000
219 G A 0.0000
220 V A 0.0000
221 I A -0.3124
222 V A 0.0000
223 H A -0.6856
224 R A 0.0000
225 Q A -0.6836
226 L A 0.1440
227 D A -1.5109
228 G A -1.1718
229 R A -0.9117
230 V A 0.0236
231 L A 0.0000
232 L A 0.0000
233 N A -0.0599
234 T A 0.0000
235 T A -0.2240
236 V A 0.5581
237 A A 0.0000
238 P A 0.0000
239 L A 0.0000
240 F A 0.0000
241 F A 0.0000
242 A A 0.0000
243 D A -1.1853
244 Q A -0.8644
245 F A 0.0000
246 L A 0.0000
247 Q A 0.0000
248 L A 0.0000
249 S A 0.0000
250 T A 0.0000
251 S A 0.1086
252 L A 0.0000
253 P A -0.3929
254 S A -0.6880
255 Q A -0.8037
256 Y A -0.1825
257 I A 0.0000
258 T A 0.0000
259 G A 0.0000
260 L A 0.0000
261 A A 0.0000
262 E A 0.0000
263 H A -0.2193
264 L A -0.1384
265 S A -0.2322
266 P A -0.3429
267 L A 0.0000
268 M A 0.0031
269 L A -0.0320
270 S A -0.4488
271 T A -0.4741
272 S A -0.5713
273 W A -0.4359
274 T A -0.7872
275 R A -1.6601
276 I A 0.0000
277 T A 0.0000
278 L A 0.0000
279 W A 0.0000
280 N A 0.0000
281 R A -0.2173
282 D A -0.1269
283 L A 0.0975
284 A A 0.0596
285 P A 0.0000
286 T A -0.1427
287 P A -0.4674
288 G A -0.8151
289 A A 0.0000
290 N A 0.0000
291 L A 0.0000
292 Y A 0.0000
293 G A 0.0000
294 S A 0.0000
295 H A 0.0000
296 P A 0.0000
297 F A 0.0000
298 Y A 0.0000
299 L A 0.0000
300 A A 0.0000
301 L A 0.0000
302 E A 0.0000
303 D A -2.3574
304 G A -1.8840
305 G A 0.0000
306 S A -1.3587
307 A A 0.0000
308 H A 0.0000
309 G A 0.0000
310 V A 0.0000
311 F A 0.0000
312 L A 0.0000
313 L A 0.0000
314 N A 0.0000
315 S A 0.0000
316 N A 0.0000
317 A A 0.0000
318 M A 0.0000
319 D A 0.0000
320 V A 0.0000
321 V A 0.0000
322 L A 0.0000
323 Q A 0.0000
324 P A -0.6072
325 S A -0.6084
326 P A -0.4320
327 A A 0.0000
328 L A 0.0000
329 S A 0.0000
330 W A 0.0000
331 R A 0.0000
332 S A 0.0000
333 T A 0.0000
334 G A 0.0000
335 G A 0.0000
336 I A -0.4939
337 L A 0.0000
338 D A 0.0000
339 V A 0.0000
340 Y A 0.0000
341 I A 0.0000
342 F A 0.0000
343 L A 0.0000
344 G A 0.0000
345 P A -0.7108
346 E A -1.8352
347 P A 0.0000
348 K A -1.1809
349 S A -1.0310
350 V A 0.0000
351 V A 0.0000
352 Q A -1.0396
353 Q A 0.0000
354 Y A 0.0000
355 L A 0.0000
356 D A -1.2368
357 V A 0.0000
358 V A 0.0000
359 G A -0.7317
360 Y A -0.2052
361 P A 0.0000
362 F A 0.0000
363 M A -0.0169
364 P A 0.0000
365 P A 0.0000
366 Y A 0.0000
367 W A 0.0000
368 G A 0.0000
369 L A 0.0000
370 G A 0.0000
371 F A 0.0000
372 H A 0.0000
373 L A 0.0000
374 C A 0.0000
375 R A -0.0680
376 W A 0.4479
377 G A 0.3713
378 Y A 0.0000
379 S A -0.3111
380 S A -0.9138
381 T A 0.0000
382 A A -0.0158
383 I A 0.2808
384 T A 0.0000
385 R A -1.1967
386 Q A -1.6071
387 V A 0.0000
388 V A -1.3929
389 E A -2.8442
390 N A -2.1142
391 M A 0.0000
392 T A -1.9687
393 R A -2.6655
394 A A -1.8144
395 H A -1.9057
396 F A 0.0000
397 P A 0.0000
398 L A 0.0000
399 D A 0.0000
400 V A 0.0000
401 Q A 0.0000
402 W A 0.0000
403 N A 0.0000
404 D A 0.0000
405 L A 0.0000
406 D A -0.6245
407 Y A 0.0000
408 M A 0.0000
409 D A -1.7346
410 S A -1.1279
411 R A -1.4866
412 R A -1.0356
413 D A 0.0000
414 F A 0.0000
415 T A -0.9160
416 F A 0.0000
417 N A -2.6777
418 K A -3.7836
419 D A -3.5383
420 G A -2.0376
421 F A 0.0000
422 R A -3.6925
423 D A -2.2734
424 F A 0.0000
425 P A -1.5373
426 A A -1.4316
427 M A 0.0000
428 V A 0.0000
429 Q A -2.4040
430 E A -2.7341
431 L A 0.0000
432 H A -1.9456
433 Q A -2.4080
434 G A -1.8218
435 G A -1.1819
436 R A 0.0000
437 R A -0.8346
438 Y A 0.0000
439 M A 0.0000
440 M A 0.0000
441 I A 0.0000
442 V A 0.0000
443 D A 0.0000
444 P A 0.0000
445 A A 0.0000
446 I A 0.0000
447 S A 0.0000
448 S A -0.1786
449 S A -0.3753
450 G A -0.7012
451 P A -0.6110
452 A A -0.6848
453 G A -1.0456
454 S A -0.9388
455 Y A 0.0000
456 R A -1.5170
457 P A 0.0000
458 Y A -0.7450
459 D A -1.3661
460 E A -1.3775
461 G A 0.0000
462 L A -0.7899
463 R A -1.9472
464 R A -1.4234
465 G A -1.1562
466 V A 0.0000
467 F A 0.0000
468 I A 0.0000
469 T A -1.3657
470 N A -2.2432
471 E A -2.5843
472 T A -1.6692
473 G A -1.9458
474 Q A -1.9558
475 P A -1.0347
476 L A 0.0000
477 I A -0.7648
478 G A 0.0000
479 K A -0.3382
480 V A 0.0000
481 W A 0.0491
482 P A -0.6618
483 G A -0.3083
484 S A -0.4930
485 T A 0.0000
486 A A 0.0000
487 F A 0.0000
488 P A 0.0000
489 D A 0.0000
490 F A 0.0000
491 T A 0.7021
492 N A 0.5635
493 P A 0.0172
494 T A -0.1192
495 A A 0.0000
496 L A -0.1960
497 A A -0.4776
498 W A 0.0000
499 W A 0.0000
500 E A 0.0000
501 D A -1.5422
502 M A 0.0000
503 V A 0.0000
504 A A -1.6794
505 E A -1.8463
506 F A 0.0000
507 H A -1.6953
508 D A -2.5215
509 Q A -1.8532
510 V A 0.0000
511 P A -1.1909
512 F A 0.0000
513 D A 0.0000
514 G A 0.0000
515 M A 0.0000
516 W A 0.0000
517 I A 0.0000
518 D A 0.0000
519 M A 0.0000
520 N A 0.0000
521 E A 0.0000
522 P A 0.0000
523 S A 0.0000
524 N A 0.0000
525 F A 1.1403
526 I A -0.1110
527 R A -1.7073
528 G A 0.0000
529 S A 0.0000
530 E A -2.2357
531 D A -2.6233
532 G A -1.8526
533 C A -1.4701
534 P A -1.6615
535 N A -2.0981
536 N A -2.1680
537 E A -2.6596
538 L A -1.3808
539 E A 0.0000
540 N A -2.1663
541 P A 0.0000
542 P A -0.9200
543 Y A 0.0000
544 V A 0.2749
545 P A 0.0000
546 G A -0.4438
547 V A 0.0000
548 V A 0.0618
549 G A -0.4423
550 G A -0.4108
551 T A -0.5513
552 L A 0.0000
553 Q A 0.0000
554 A A -0.4771
555 A A -0.0269
556 T A 0.0000
557 I A 0.0000
558 C A 0.0000
559 A A 0.0000
560 S A -1.1823
561 S A 0.0000
562 H A -1.0797
563 Q A 0.5726
564 F A 2.0889
565 L A 1.7079
566 S A 0.6789
567 T A 0.0762
568 H A 0.0000
569 Y A 0.0000
570 N A -0.0855
571 L A 0.0000
572 H A 0.0000
573 N A 0.0000
574 L A 0.0000
575 Y A 0.0000
576 G A 0.0000
577 L A 0.0000
578 T A 0.2088
579 E A 0.0000
580 A A 0.0000
581 I A 0.2099
582 A A 0.0000
583 S A 0.0000
584 H A -0.6905
585 R A -1.4017
586 A A 0.0000
587 L A 0.0000
588 V A -1.1222
589 K A -2.2263
590 A A -1.7310
591 R A -1.1884
592 G A -1.0600
593 T A -0.8745
594 R A 0.0000
595 P A 0.0000
596 F A 0.0000
597 V A 0.0000
598 I A 0.0000
599 S A 0.0000
600 R A 0.0000
601 S A 0.0000
602 T A 0.0000
603 F A 0.0000
604 A A 0.0000
605 G A 0.0000
606 H A 0.0000
607 G A 0.0000
608 R A -0.4346
609 Y A -0.1188
610 A A 0.0000
611 G A 0.0000
612 H A 0.0000
613 W A 0.0000
614 T A 0.0000
615 G A 0.0000
616 D A -0.0330
617 V A 0.0000
618 W A 0.1753
619 S A -0.3587
620 S A -0.6830
621 W A -0.9975
622 E A -1.8313
623 Q A 0.0000
624 L A 0.0000
625 A A 0.0000
626 S A -0.6470
627 S A 0.0000
628 V A 0.0000
629 P A 0.0000
630 E A 0.0000
631 I A 0.0000
632 L A 0.0000
633 Q A 0.0000
634 F A 0.0000
635 N A 0.0000
636 L A 0.0000
637 L A 0.0000
638 G A 0.0000
639 V A 0.0000
640 P A 0.0000
641 L A 0.0000
642 V A 0.0000
643 G A 0.0000
644 A A 0.0000
645 D A 0.0000
646 V A 0.0000
647 C A 0.0000
648 G A 0.0000
649 F A 0.0000
650 L A 0.3359
651 G A -0.0851
652 N A -0.7563
653 T A -0.6356
654 S A -0.8396
655 E A -1.2362
656 E A -0.9569
657 L A 0.0000
658 C A 0.0000
659 V A 0.0000
660 R A 0.0000
661 W A 0.0000
662 T A 0.0000
663 Q A 0.0000
664 L A 0.0000
665 G A 0.0000
666 A A 0.0000
667 F A 0.0000
668 Y A 0.0000
669 P A 0.0000
670 F A 0.0000
671 M A 0.0000
672 R A 0.0000
673 N A 0.0000
674 H A 0.0000
675 N A 0.0000
676 S A 0.8381
677 L A 1.5981
678 L A 2.0065
679 S A 1.1453
680 L A 1.4123
681 P A 0.6149
682 Q A 0.0000
683 E A 0.0000
684 P A 0.0000
685 Y A -0.7243
686 S A -0.1644
687 F A -0.7331
688 S A -1.2609
689 E A -2.2826
690 P A -1.7994
691 A A 0.0000
692 Q A -2.0164
693 Q A -2.5721
694 A A 0.0000
695 M A 0.0000
696 R A -1.4345
697 K A -1.9762
698 A A 0.0000
699 L A 0.0000
700 T A -0.7140
701 L A -0.2680
702 R A 0.0000
703 Y A 0.0000
704 A A 0.0000
705 L A 0.0000
706 L A 0.0000
707 P A 0.0000
708 H A 0.0000
709 L A 0.0000
710 Y A 0.0000
711 T A 0.0000
712 L A 0.0000
713 F A 0.0000
714 H A 0.0000
715 Q A -0.1905
716 A A 0.0000
717 H A -0.0485
718 V A 0.5985
719 A A -0.0819
720 G A 0.0000
721 E A -0.5195
722 T A 0.0000
723 V A 0.0000
724 A A 0.0000
725 R A 0.0000
726 P A 0.0000
727 L A 0.0000
728 F A 0.0000
729 L A 0.0000
730 E A -0.8391
731 F A -0.6341
732 P A -1.5885
733 K A -2.4909
734 D A -1.2062
735 S A -1.2912
736 S A -0.5658
737 T A 0.0000
738 W A 0.0000
739 T A -0.2032
740 V A 0.0000
741 D A -0.5716
742 H A -0.7743
743 Q A 0.0000
744 L A 0.0000
745 L A 0.0000
746 W A 0.0000
747 G A 0.0000
748 E A -0.8230
749 A A 0.0000
750 L A 0.0000
751 L A 0.0000
752 I A 0.0000
753 T A 0.0000
754 P A 0.0000
755 V A 0.0000
756 L A 0.0000
757 Q A -1.8322
758 A A -0.9554
759 G A -1.2527
760 K A -1.6005
761 A A -1.2842
762 E A -1.6442
763 V A -0.7899
764 T A -0.0004
765 G A 0.0000
766 Y A 0.0000
767 F A 0.0000
768 P A 0.0000
769 L A 0.3181
770 G A -0.3918
771 T A 0.0000
772 W A 0.0000
773 Y A 0.0000
774 D A 0.0000
775 L A 0.0000
776 Q A -1.0605
777 T A -0.7945
778 V A 0.0000
779 P A -0.4708
780 I A -0.3389
781 E A -1.6000
793 P A -0.8319
794 R A -1.3890
795 E A -1.9219
796 P A -1.5679
797 A A -0.9455
798 I A 0.0000
799 H A -1.3808
800 S A 0.0000
801 E A -1.5331
802 G A -0.6240
803 Q A -0.3783
804 W A 0.7070
805 V A 0.6039
806 T A 0.0099
807 L A 0.0000
808 P A -0.9032
809 A A 0.0000
810 P A -0.7562
811 L A -0.4833
812 D A -1.7548
813 T A 0.0000
814 I A -0.2806
815 N A 0.0000
816 V A 0.0000
817 H A 0.0000
818 L A 0.0000
819 R A -0.2863
820 A A -0.9468
821 G A -1.1452
822 Y A -0.9038
823 I A 0.0000
824 I A 0.0000
825 P A 0.0000
826 L A 0.0000
827 Q A 0.0000
828 G A -0.9943
829 P A -0.9232
830 G A -0.8403
831 L A -0.3410
832 T A 0.0000
833 T A 0.0000
834 T A -1.0751
835 E A -1.8202
836 S A 0.0000
837 R A -1.5287
838 Q A -2.0546
839 Q A -1.5190
840 P A -1.1002
841 M A 0.0000
842 A A -0.3541
843 L A 0.0000
844 A A 0.0000
845 V A 0.0000
846 A A 0.0000
847 L A 0.0000
848 T A -1.7062
849 K A -2.2126
850 G A -2.2353
851 G A -2.4810
852 E A -2.9084
853 A A 0.0000
854 R A -2.1336
855 G A 0.0000
856 E A -1.0673
857 L A 0.0000
858 F A 0.0000
859 W A 0.0000
860 D A 0.0000
861 D A -1.4827
862 G A 0.0000
863 E A -1.3449
864 S A -1.0135
865 L A -1.2952
866 E A -2.7284
867 V A 0.0000
868 L A -1.3656
869 E A -3.0267
870 R A -3.0092
871 G A -1.5604
872 A A -1.2571
873 Y A -0.6265
874 T A 0.0000
875 Q A -0.0967
876 V A 0.0000
877 I A -0.4923
878 F A 0.0000
879 L A -1.0268
880 A A 0.0000
881 R A -3.2499
882 N A -2.7171
883 N A -1.8835
884 T A -0.9568
885 I A 0.0000
886 V A -0.2341
887 N A 0.0000
888 E A -1.3755
889 L A -0.2516
890 V A 0.8530
891 R A 0.0379
892 V A 0.3247
893 T A -0.1244
894 S A -0.4346
895 E A -0.7494
896 G A 0.0000
897 A A -0.5250
898 G A -1.0252
899 L A 0.0000
900 Q A -1.2692
901 L A 0.0000
902 Q A -0.9924
903 K A -0.6208
904 V A 0.0000
905 T A 0.0000
906 V A 0.0000
907 L A 0.0000
908 G A -0.8385
909 V A 0.0000
910 A A -0.7081
911 T A -0.2714
912 A A -0.3749
913 P A -0.4634
914 Q A -1.2303
915 Q A -0.5053
916 V A 0.0000
917 L A 0.7164
918 S A 0.2699
919 N A -0.6720
920 G A 0.0399
921 V A 1.1782
922 P A 0.3384
923 V A 0.1164
924 S A -0.2917
925 N A -0.9575
926 F A -0.0634
927 T A -0.0423
928 Y A -0.3083
929 S A -0.9844
930 P A -1.3929
931 D A -2.3087
932 T A -1.6027
933 K A -1.5375
934 V A 0.0000
935 L A 0.0000
936 D A -0.3752
937 I A 0.0000
938 C A -0.2274
939 V A 0.0000
940 S A -0.4313
941 L A -0.7213
942 L A -0.9146
943 M A 0.0000
944 G A 0.0000
945 E A -2.4015
946 Q A -2.1671
947 F A 0.0000
948 L A 0.3400
949 V A 0.0000
950 S A -0.2172
951 W A 0.0000
952 C A 0.0123
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Laboratory of Theory of Biopolymers 2018