Project name: c667a423ba12f73

Status: done

Started: 2026-06-15 03:52:37
Settings
Chain sequence(s) A: SWSALCERWIDIITGRRAARTSDPRARAIIAKTDRKVAEILTDLVSGSSRQTVLISADLRKEQSPFITKTARAIESMACAWATPGSSYHKDPEILSACIEGLRDFCRLRYNPSQDEYGNWWDWEDGASRAVADVMCILHDVLPPEVMSAAAAGIDHFIPDPWFQQPASVKPTANPVQPVVSTGANRMDLTRAVMCRSIATGDEKRLRHAVDGLPDAWRVTTEGDGFRADGGFIQHSHIPYTGGFGDVLFSGLAMLFPLVSGMRFDIVESARKAFHDQVERGFIPVMYNGQILDDVRGRSISRINESAAMHGISIARAMLMMADALPTHRAEQWRGIVHGWMARNTFDHLSEPSTLVDISLFDAAAKARPVPESSTPSYFASMDRLVHRTADWLITVSNCSDRIAWYEYGNGENEWASRTSQGMRYLLLPGDMGQYEDGYWATVDYSAPTGTTVDSTPLKRAVGASWAAKTPTNEWSGGLASGSWSAAASHITSQDSALKARRLWVGLKDAMVELTTDVTTDASRAITVVEHRKVASSSTKLLVDGNRVSSATSFQNPRWAHLDGVGGYVFATDTDLSADVATRKGTWIDVNPSRKVKGADEVIERAYASLHVTHHDRPVAWALLPTASRSHTMALATRPGVEPFTVLRNDATVQAVRSAGALLTKDPTVVTTLAFWKPATCGGVAVNRPALVQTRESANQMEVVIVEPTQKRGSLTVTIEGSWKVKTADSHVDVSCENAAGTLHVDTAGLGGQSVRVTLARQ
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                                          (00:07:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:56)
Show buried residues

Minimal score value
-3.7656
Maximal score value
1.9601
Average score
-0.6556
Total score value
-499.5649

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
38 S A -0.1101
39 W A -0.2007
40 S A -0.6782
41 A A -0.3828
42 L A 0.0000
43 C A 0.0000
44 E A -1.2031
45 R A -0.9074
46 W A 0.0000
47 I A 0.0000
48 D A -1.1478
49 I A 0.0000
50 I A 0.0645
51 T A -0.2690
52 G A 0.0000
53 R A -1.3922
54 R A -1.9334
55 A A 0.0000
56 A A -1.8575
57 R A -2.5457
58 T A -1.6348
59 S A -1.2435
60 D A 0.0000
61 P A -1.4707
62 R A -1.7752
63 A A 0.0000
64 R A -2.6850
65 A A -1.5252
66 I A -1.3621
67 I A 0.0000
68 A A -2.1561
69 K A -2.9774
70 T A -2.2597
71 D A -2.3781
72 R A -3.7037
73 K A -3.4941
74 V A 0.0000
75 A A -2.0417
76 E A -2.6744
77 I A -0.9780
78 L A -0.4026
79 T A -0.1234
80 D A 0.2488
81 L A 0.6826
82 V A 0.6225
83 S A -0.3615
84 G A -0.8361
85 S A -0.8756
86 S A -0.7208
87 R A 0.0000
88 Q A -1.7945
89 T A 0.0000
90 V A 0.0000
91 L A 0.0000
92 I A 1.9601
93 S A 0.6755
94 A A 0.0000
95 D A -1.2591
96 L A 0.0000
97 R A -3.5406
98 K A -3.7656
99 E A -3.6118
100 Q A -2.7484
101 S A 0.0000
102 P A -0.9732
103 F A -1.4027
104 I A 0.0000
105 T A 0.0000
106 K A -1.5558
107 T A 0.0000
108 A A 0.0000
109 R A -2.3063
110 A A 0.0000
111 I A 0.0000
112 E A -1.1549
113 S A 0.0000
114 M A 0.0000
115 A A 0.0000
116 C A 0.0057
117 A A 0.0000
118 W A -0.9226
119 A A -0.6011
120 T A 0.0000
121 P A -1.2426
122 G A -1.3525
123 S A 0.0000
124 S A -0.8411
125 Y A -1.0078
126 H A -1.3208
127 K A -2.2899
128 D A -1.9843
129 P A -1.7779
130 E A -2.2293
131 I A 0.0000
132 L A -0.9254
133 S A -0.8325
134 A A -0.6757
135 C A 0.0000
136 I A -0.3798
137 E A -0.9643
138 G A 0.0000
139 L A 0.0000
140 R A -1.3660
141 D A 0.0000
142 F A 0.0000
143 C A 0.0000
144 R A -1.9579
145 L A -1.3453
146 R A -1.3987
147 Y A 0.0000
148 N A -1.1930
149 P A -1.1237
150 S A -1.0897
151 Q A -1.6504
152 D A -2.4645
153 E A 0.0000
154 Y A 0.0000
155 G A -1.3561
156 N A -1.1676
157 W A -0.4645
158 W A -0.0111
159 D A 0.0000
160 W A 0.0000
161 E A 0.0000
162 D A 0.0000
163 G A 0.0000
164 A A 0.0000
165 S A 0.0000
166 R A -0.6511
167 A A 0.0000
168 V A 0.0000
169 A A 0.0000
170 D A 0.0000
171 V A 0.0000
172 M A 0.0000
173 C A 0.0000
174 I A 0.0000
175 L A 0.0000
176 H A -0.9857
177 D A -1.7015
178 V A -0.3358
179 L A 0.0000
180 P A -0.7950
181 P A -1.0095
182 E A -1.8095
183 V A 0.0000
184 M A -0.5924
185 S A -0.8318
186 A A -0.9932
187 A A 0.0000
188 A A 0.0000
189 A A -0.3131
190 G A 0.0000
191 I A 0.0000
192 D A -0.7013
193 H A -0.8339
194 F A 0.0000
195 I A 0.0000
196 P A -0.5212
197 D A -0.2975
198 P A 0.0000
199 W A 0.4223
200 F A 1.2062
201 Q A 0.5918
202 Q A 0.0000
203 P A -0.5407
204 A A -1.0267
205 S A -1.0778
206 V A 0.0000
207 K A -2.4913
208 P A 0.0000
209 T A -1.3661
210 A A -0.8356
211 N A -1.3122
212 P A -0.1621
213 V A 1.1608
214 Q A 0.2927
215 P A 0.5267
216 V A 1.3865
217 V A 1.9486
218 S A 0.0000
219 T A -0.3652
220 G A -0.8830
221 A A 0.0242
222 N A -0.0718
223 R A 0.0000
224 M A 0.0000
225 D A -0.3930
226 L A 0.0000
227 T A 0.0000
228 R A 0.0000
229 A A 0.0000
230 V A 0.0000
231 M A 0.0000
232 C A 0.0000
233 R A 0.0000
234 S A 0.0000
235 I A 0.0000
236 A A -0.3495
237 T A -0.3666
238 G A -0.7956
239 D A -1.5299
240 E A -2.1397
241 K A -2.6894
242 R A -2.2066
243 L A 0.0000
244 R A -2.8968
245 H A -2.1483
246 A A 0.0000
247 V A 0.0000
248 D A -2.1458
249 G A 0.0000
250 L A 0.0000
251 P A -1.5026
252 D A -2.6422
253 A A 0.0000
254 W A 0.0000
255 R A -2.2938
256 V A -0.9596
257 T A -1.2263
258 T A -1.1576
259 E A -2.2902
260 G A -1.9923
261 D A -2.2073
262 G A -1.6059
263 F A 0.0000
264 R A 0.0000
265 A A -0.2828
266 D A -0.3969
267 G A 0.0000
268 G A 0.0000
269 F A 0.0000
270 I A 0.0000
271 Q A -0.9502
272 H A -0.7497
273 S A -1.4315
274 H A -1.2622
275 I A 0.0000
276 P A 0.0000
277 Y A 0.0000
278 T A 0.0000
279 G A 0.0000
280 G A 0.6221
281 F A 1.2172
282 G A 0.0000
283 D A 0.0000
284 V A 1.9109
285 L A 0.0000
286 F A 0.0000
287 S A 0.5054
288 G A 0.0000
289 L A 0.0000
290 A A 0.0000
291 M A 0.2047
292 L A 0.0000
293 F A 0.0000
294 P A 0.0000
295 L A 0.0000
296 V A 0.0000
297 S A -0.8351
298 G A -0.8436
299 M A -1.0589
300 R A -2.1181
301 F A 0.0000
302 D A -1.2084
303 I A 0.0000
304 V A 0.1537
305 E A -1.5595
306 S A -1.1478
307 A A -1.3357
308 R A -1.5791
309 K A -2.3520
310 A A -1.6986
311 F A 0.0000
312 H A 0.0000
313 D A -2.1522
314 Q A 0.0000
315 V A 0.0000
316 E A -1.2449
317 R A -1.3906
318 G A 0.0000
319 F A 0.0000
320 I A -0.1516
321 P A -0.2820
322 V A 0.0000
323 M A 0.0000
324 Y A 0.0000
325 N A 0.0000
326 G A 0.0000
327 Q A 0.0000
328 I A 0.0000
329 L A 0.0000
330 D A 0.0000
331 D A 0.0000
332 V A 0.0000
333 R A 0.0000
334 G A -0.1429
335 R A -0.2413
336 S A 0.0000
337 I A 0.0000
338 S A 0.0000
339 R A -0.7140
340 I A -0.8599
341 N A -1.4731
342 E A -0.7176
343 S A -0.4789
344 A A 0.0000
345 A A 0.0000
346 M A 0.6142
347 H A 0.0000
348 G A 0.0000
349 I A 0.1918
350 S A 0.4243
351 I A 0.0000
352 A A 0.0000
353 R A -0.5644
354 A A 0.0000
355 M A 0.0000
356 L A 0.0000
357 M A 0.0000
358 M A 0.0000
359 A A 0.0000
360 D A -2.0663
361 A A -1.0164
362 L A -1.3139
363 P A -1.1793
364 T A -1.5976
365 H A -2.1675
366 R A -2.1348
367 A A -2.2108
368 E A -3.4634
369 Q A -2.2976
370 W A 0.0000
371 R A -2.2068
372 G A 0.0000
373 I A -0.6126
374 V A 0.0000
375 H A -0.9369
376 G A 0.0000
377 W A 0.0000
378 M A -0.4804
379 A A -0.3260
380 R A -0.4931
381 N A 0.0000
382 T A -0.0116
383 F A 0.3885
384 D A -0.3752
385 H A -1.2716
386 L A 0.0000
387 S A -1.4334
388 E A -2.3144
389 P A 0.0000
390 S A -0.7165
391 T A -0.4697
392 L A 0.0000
393 V A -0.2338
394 D A 0.0000
395 I A 0.0000
396 S A -0.3208
397 L A -0.3103
398 F A 0.0000
399 D A -0.7343
400 A A -0.9802
401 A A 0.0000
402 A A -1.3393
403 K A -2.4817
404 A A -2.3857
405 R A -2.6463
406 P A -1.4510
407 V A -0.5488
408 P A -0.4674
409 E A -0.7019
410 S A -0.5241
411 S A -0.8744
412 T A -0.4676
413 P A 0.0000
414 S A -0.1822
415 Y A 0.0067
416 F A 0.0000
417 A A 0.0000
418 S A 0.0000
419 M A 0.0000
420 D A 0.0000
421 R A 0.0000
422 L A 0.0000
423 V A 0.0000
424 H A 0.0000
425 R A 0.0000
426 T A -1.0512
427 A A -1.2061
428 D A -2.0819
429 W A 0.0000
430 L A 0.0000
431 I A 0.0000
432 T A 0.0000
433 V A 0.0000
434 S A 0.0000
435 N A 0.0000
436 C A 0.0000
437 S A 0.0000
438 D A -1.5596
439 R A -1.2476
440 I A 0.0000
441 A A 0.0000
442 W A -0.3699
443 Y A 0.0000
444 E A 0.0000
445 Y A -0.1788
446 G A 0.0000
447 N A -1.3619
448 G A -1.1173
449 E A 0.0000
450 N A 0.0000
451 E A -0.9052
452 W A -0.5570
453 A A 0.0000
454 S A 0.0000
455 R A 0.0000
456 T A 0.0000
457 S A 0.0000
458 Q A 0.0000
459 G A 0.0000
460 M A 0.0000
461 R A 0.0000
462 Y A 0.0000
463 L A 0.0000
464 L A 0.0000
465 L A 0.0000
466 P A -0.8142
467 G A -0.9044
468 D A -0.5731
469 M A 0.0000
470 G A -0.6040
471 Q A 0.0000
472 Y A 0.0000
473 E A -0.9896
474 D A -1.7921
475 G A -1.3935
476 Y A 0.0000
477 W A 0.0000
478 A A 0.0000
479 T A 0.0000
480 V A 0.0000
481 D A -0.5850
482 Y A 0.0000
483 S A -0.3284
484 A A 0.0000
485 P A 0.0000
486 T A 0.0000
487 G A 0.0000
488 T A 0.0000
489 T A 0.0000
490 V A 0.0000
491 D A 0.0000
492 S A -0.9433
493 T A -1.2152
494 P A -0.8436
495 L A -0.9532
496 K A -1.9942
497 R A -1.2042
498 A A -0.5920
499 V A -0.8629
500 G A -0.9075
501 A A -0.4870
502 S A -0.2725
503 W A -0.0391
504 A A 0.0000
505 A A -0.7753
506 K A -1.8978
507 T A -1.3360
508 P A 0.0000
509 T A -0.8766
510 N A 0.0000
511 E A -1.3508
512 W A 0.0000
513 S A 0.0000
514 G A 0.0000
515 G A 0.0000
516 L A 0.0000
517 A A -0.1186
518 S A 0.0000
519 G A -0.5097
520 S A -0.5549
521 W A -0.2984
522 S A 0.0000
523 A A 0.0000
524 A A 0.0000
525 A A 0.0000
526 S A 0.0000
527 H A 0.0000
528 I A 0.0000
529 T A -0.6528
530 S A -0.7494
531 Q A -1.2117
532 D A -1.9582
533 S A -1.4295
534 A A -1.0959
535 L A 0.0000
536 K A -1.1994
537 A A 0.0000
538 R A 0.0000
539 R A 0.0000
540 L A 0.0000
541 W A 0.0000
542 V A 0.0000
543 G A 0.0000
544 L A 0.0000
545 K A -1.3070
546 D A -0.9602
547 A A 0.0000
548 M A 0.0000
549 V A 0.0000
550 E A 0.0000
551 L A 0.0000
552 T A 0.0000
553 T A 0.0000
554 D A -2.2263
555 V A -1.7756
556 T A -1.6260
557 T A -1.6152
558 D A -2.2357
559 A A -1.7527
560 S A -1.5102
561 R A -2.2498
562 A A 0.0000
563 I A -0.3760
564 T A 0.0000
565 V A 0.0000
566 V A 0.0000
567 E A 0.0000
568 H A 0.0000
569 R A 0.0000
570 K A 0.0000
571 V A -0.2306
572 A A -0.0872
573 S A -0.3297
574 S A -0.5104
575 S A -0.6842
576 T A -0.8888
577 K A -1.5740
578 L A 0.0000
579 L A -1.7432
580 V A 0.0000
581 D A -2.3446
582 G A -2.1732
583 N A -2.7042
584 R A -2.6669
585 V A 0.0000
586 S A -1.0471
587 S A -0.6023
588 A A -0.3256
589 T A -0.2610
590 S A -0.6355
591 F A -1.0203
592 Q A -2.0719
593 N A -2.3705
594 P A 0.0000
595 R A -1.8034
596 W A 0.0000
597 A A 0.0000
598 H A 0.0000
599 L A 0.0000
600 D A -1.1840
601 G A -1.0688
602 V A 0.0000
603 G A 0.0000
604 G A 0.0000
605 Y A 0.0000
606 V A 0.0000
607 F A 0.0000
608 A A -0.9472
609 T A -1.5327
610 D A -2.8225
611 T A 0.0000
612 D A -1.4819
613 L A 0.0000
614 S A -0.4405
615 A A 0.0000
616 D A -0.6828
617 V A 0.0000
618 A A -0.4123
619 T A -1.2279
620 R A -2.0633
621 K A -2.3165
622 G A -1.6216
623 T A -1.2494
624 W A 0.0000
625 I A -1.3466
626 D A -1.6473
627 V A 0.0000
628 N A 0.0000
629 P A -1.3732
630 S A -1.2662
631 R A -1.6632
632 K A -2.2491
633 V A -1.4683
634 K A -2.5003
635 G A -1.8425
636 A A 0.0000
637 D A -2.8680
638 E A -2.1561
639 V A -0.3792
640 I A -1.3717
641 E A -2.2845
642 R A -1.9821
643 A A 0.0000
644 Y A 0.0000
645 A A 0.0000
646 S A 0.0000
647 L A 0.0000
648 H A -0.2537
649 V A 0.0000
650 T A 0.0000
651 H A 0.0000
652 H A -2.8382
653 D A -3.4119
654 R A -3.6013
655 P A -2.3209
656 V A 0.0000
657 A A 0.0000
658 W A 0.0000
659 A A 0.0000
660 L A 0.0000
661 L A 0.0000
662 P A 0.0000
663 T A -0.7188
664 A A -0.5233
665 S A -0.7521
666 R A -0.8680
667 S A -0.6379
668 H A -0.7401
669 T A 0.0000
670 M A -0.6670
671 A A -0.5639
672 L A 0.0000
673 A A 0.0000
674 T A -1.1483
675 R A -1.7958
676 P A -1.1027
677 G A -0.6322
678 V A 0.0479
679 E A -1.4186
680 P A -0.6372
681 F A 0.0000
682 T A -0.2161
683 V A 0.0049
684 L A -0.1675
685 R A -1.2899
686 N A -1.2359
687 D A -1.4130
688 A A -0.9200
689 T A -0.9306
690 V A 0.0000
691 Q A 0.0000
692 A A 0.0000
693 V A 0.0000
694 R A -0.3301
695 S A -0.1250
696 A A -0.3055
697 G A 0.0000
698 A A 0.0000
699 L A -0.2538
700 L A -0.3471
701 T A -0.9089
702 K A -1.6946
703 D A 0.0000
704 P A -0.6332
705 T A -0.3856
706 V A 0.2544
707 V A 0.0000
708 T A 0.0000
709 T A 0.0000
710 L A 0.0000
711 A A 0.0000
712 F A 0.0000
713 W A 0.0000
714 K A -1.5773
715 P A -1.4963
716 A A -0.7737
717 T A -0.5806
718 C A -0.2993
719 G A -0.7352
720 G A -0.8903
721 V A 0.0000
722 A A -0.7238
723 V A 0.0000
724 N A -1.8246
725 R A -2.0368
726 P A -1.4039
727 A A 0.0000
728 L A 0.0000
729 V A 0.0000
730 Q A 0.0000
731 T A 0.0000
732 R A 0.0000
733 E A -1.5755
734 S A -1.1177
735 A A -1.2185
736 N A -2.5558
737 Q A -2.5041
738 M A 0.0000
739 E A -1.3695
740 V A 0.0000
741 V A 0.0000
742 I A 0.0000
743 V A 0.0000
744 E A 0.0000
745 P A 0.0000
746 T A 0.0000
747 Q A -1.6497
748 K A -2.4501
749 R A -2.3959
750 G A -1.8186
751 S A -1.9533
752 L A 0.0000
753 T A -1.2880
754 V A 0.0000
755 T A -0.7144
756 I A 0.0000
757 E A -2.2805
758 G A -2.1643
759 S A -2.4442
760 W A -2.9232
761 K A -2.9233
762 V A -1.4818
763 K A -1.9897
764 T A -1.3735
765 A A -1.5118
766 D A -1.9040
767 S A -1.5795
768 H A -2.2106
769 V A 0.0000
770 D A -2.4192
771 V A -1.2750
772 S A -1.3383
773 C A -1.8132
774 E A -2.7509
775 N A -2.7220
776 A A -1.6980
777 A A -1.7437
778 G A 0.0000
779 T A -1.1654
780 L A 0.0000
781 H A -1.9261
782 V A 0.0000
783 D A -2.8468
784 T A 0.0000
785 A A -1.5677
786 G A -1.3130
787 L A 0.0000
788 G A -1.1963
789 G A 0.0000
790 Q A -0.7048
791 S A -0.8122
792 V A 0.0000
793 R A -2.2082
794 V A 0.0000
795 T A -1.5397
796 L A 0.0000
797 A A -2.7637
798 R A -3.3287
799 Q A -2.7910
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Laboratory of Theory of Biopolymers 2018