Project name: 5d8f3ad495e364e

Status: done

Started: 2026-06-15 03:38:16
Settings
Chain sequence(s) A: DIWSALCEKWTDIITGRNAAKTADPRARAIIAKTDKRVATILTDLASSSSRTTVLLSANLQKEESSFITTTARAISSIACAWATPGSAYHAEPHVLSACIDALKDFCRLRYHPSQDEYGNWWDWEDGASRAIGDVMCILHDALPTDVMAAAAAGIDHFVPDPWYQQPESVKPTAHPTQPVISTGANRMDLTRAVICRSIATGDESKLRHAVQGLPDSWRTVAEGDGFRADGGFIQHSHVPYTGSFGDVLLSGLAMLLPLVAGTRFDITDSAQANLLSQVERGIVPVMYGGQILDCVRGRSISRIDEPAAMHGMSIARSMLLMANAIPAHRAELWRGTVHGWMTRNTFDHLSEPASLRDIDLFDTAANVRPIPESSTPTYFASIDRLVHRTPNWLIAVSNCSNRISWYEYGNSENEWASRTSQGMRYLMLPEDMGQYEDGFWATVDYSAPTGTTVDSTPLKRAVGTAWAERTPDNEWSGGLASGEWSAAASQITSQDSTLKARRLWVGLKDALLELTTDVSTDASKATTVVEHRKVGKTPELLVDGITITSKTSFDNPHWAHLRGVGGYVFATDVDLTAQLEKRKGSWIDVNPARTVKGFNEAIERNYASLHVTHHNRPVAWAVLPTASRSQTMALAQRPVDNLFIVLSNDRMVQAVRSTGCLLTKDPTVVTTYAFWKPATCAGMTADAPAIIQTQAQGSRVEVIMSEPTQKRPSLTVAIEGVWTVENSSDRISVSRSDKTTTLRINTADLGGQSIRVTLSPA
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                                          (00:07:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:23)
Show buried residues

Minimal score value
-3.3654
Maximal score value
2.1713
Average score
-0.6504
Total score value
-495.6161

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
41 D A -1.3640
42 I A -0.3824
43 W A -0.5106
44 S A -1.1120
45 A A -0.7876
46 L A 0.0000
47 C A 0.0000
48 E A -1.9896
49 K A -1.4318
50 W A 0.0000
51 T A 0.0000
52 D A -1.5603
53 I A -0.6650
54 I A -0.1749
55 T A -0.3764
56 G A 0.0000
57 R A -1.5349
58 N A -2.0381
59 A A -1.7945
60 A A -2.1423
61 K A -2.6198
62 T A -1.7003
63 A A -1.1458
64 D A -1.6039
65 P A -1.7353
66 R A -1.9317
67 A A 0.0000
68 R A -2.8680
69 A A -1.6452
70 I A -1.2620
71 I A 0.0000
72 A A -2.0562
73 K A -2.7351
74 T A -2.0111
75 D A -1.8866
76 K A -2.8734
77 R A -2.4001
78 V A 0.0000
79 A A -0.9394
80 T A -0.8706
81 I A 0.0000
82 L A 0.0114
83 T A 0.1067
84 D A 0.2830
85 L A 0.4744
86 A A 0.0000
87 S A -0.2455
88 S A -0.5411
89 S A -0.8299
90 S A -0.5620
91 R A -0.3494
92 T A -0.5820
93 T A 0.0000
94 V A 0.0000
95 L A 0.0000
96 L A 1.1917
97 S A 0.3868
98 A A 0.0000
99 N A -1.1788
100 L A 0.0000
101 Q A -2.3375
102 K A -3.1703
103 E A -3.3654
104 E A -2.7023
105 S A -1.4274
106 S A -0.7387
107 F A -0.9541
108 I A 0.0000
109 T A -0.3930
110 T A -0.3960
111 T A 0.0000
112 A A 0.0000
113 R A -1.1282
114 A A 0.0000
115 I A 0.0000
116 S A 0.0000
117 S A 0.0000
118 I A 0.0000
119 A A 0.0000
120 C A 0.0098
121 A A 0.0000
122 W A -0.3105
123 A A 0.0000
124 T A 0.0000
125 P A -1.1702
126 G A -1.3823
127 S A -0.7150
128 A A -0.4608
129 Y A -0.5120
130 H A -0.6938
131 A A -0.6569
132 E A -1.2642
133 P A -1.1023
134 H A -1.2734
135 V A 0.0000
136 L A -0.6462
137 S A -0.9736
138 A A -0.7918
139 C A 0.0000
140 I A -0.9189
141 D A -1.9868
142 A A 0.0000
143 L A 0.0000
144 K A -1.9029
145 D A -1.5642
146 F A 0.0000
147 C A 0.0000
148 R A -1.6709
149 L A -0.9651
150 R A -1.0037
151 Y A 0.0000
152 H A -1.1000
153 P A -1.0969
154 S A -1.0107
155 Q A -1.4314
156 D A -2.6031
157 E A 0.0000
158 Y A 0.0000
159 G A -1.2963
160 N A -0.8560
161 W A -0.2762
162 W A 0.1601
163 D A 0.0000
164 W A 0.0000
165 E A 0.0000
166 D A 0.0000
167 G A 0.0000
168 A A 0.0000
169 S A 0.0000
170 R A -0.5375
171 A A 0.0000
172 I A 0.0000
173 G A 0.0000
174 D A 0.0000
175 V A 0.0000
176 M A 0.0000
177 C A 0.0000
178 I A 0.0000
179 L A 0.0000
180 H A -1.2734
181 D A -2.0669
182 A A -0.8843
183 L A 0.0000
184 P A -1.0107
185 T A -1.1563
186 D A -1.8979
187 V A 0.0000
188 M A -0.7581
189 A A -0.5254
190 A A -0.9298
191 A A 0.0000
192 A A 0.0000
193 A A -0.3130
194 G A 0.0000
195 I A 0.0000
196 D A -0.9021
197 H A -0.9241
198 F A 0.0000
199 V A 0.0000
200 P A -0.6442
201 D A -0.4373
202 P A 0.0000
203 W A 0.6656
204 Y A 1.1999
205 Q A 0.3713
206 Q A 0.0000
207 P A -1.3943
208 E A -3.0203
209 S A -1.9479
210 V A 0.0000
211 K A -3.0915
212 P A 0.0000
213 T A -1.4027
214 A A -0.8583
215 H A -1.6834
216 P A -1.0973
217 T A -0.7766
218 Q A -0.8118
219 P A -0.1536
220 V A 0.9360
221 I A 2.1713
222 S A 0.0000
223 T A -0.0184
224 G A -0.3417
225 A A 0.2513
226 N A 0.0039
227 R A 0.0000
228 M A 0.0000
229 D A 0.0000
230 L A 0.0000
231 T A 0.0000
232 R A -0.2893
233 A A 0.0000
234 V A 0.0000
235 I A 0.0000
236 C A 0.0000
237 R A 0.0000
238 S A 0.0000
239 I A 0.0000
240 A A -0.5088
241 T A -0.4248
242 G A -0.7454
243 D A -1.6843
244 E A -2.4355
245 S A -1.9526
246 K A -2.0882
247 L A 0.0000
248 R A -3.2503
249 H A -2.0590
250 A A 0.0000
251 V A 0.0000
252 Q A -1.9692
253 G A 0.0000
254 L A 0.0000
255 P A -1.1428
256 D A -1.2651
257 S A 0.0000
258 W A 0.0000
259 R A -2.0928
260 T A -1.3011
261 V A -0.7548
262 A A -1.0647
263 E A -2.2050
264 G A -1.8565
265 D A -2.2376
266 G A -1.4141
267 F A 0.0000
268 R A 0.0000
269 A A -0.4161
270 D A -0.6009
271 G A 0.0000
272 G A 0.0000
273 F A 0.0000
274 I A 0.0000
275 Q A -0.9635
276 H A -1.1839
277 S A -1.6909
278 H A -1.7199
279 V A 0.0000
280 P A 0.0000
281 Y A 0.0000
282 T A 0.0000
283 G A 0.0000
284 S A 0.5861
285 F A 1.1706
286 G A 0.0000
287 D A 0.0000
288 V A 1.8654
289 L A 0.0000
290 L A 0.0000
291 S A 0.3991
292 G A 0.0000
293 L A 0.0000
294 A A 0.0000
295 M A -0.0070
296 L A 0.0000
297 L A 0.0000
298 P A 0.0000
299 L A 0.0000
300 V A 0.0000
301 A A -0.9135
302 G A -1.0546
303 T A -1.2447
304 R A -2.2548
305 F A 0.0000
306 D A -1.9431
307 I A 0.0000
308 T A -1.4629
309 D A -2.2286
310 S A -1.4865
311 A A -1.4514
312 Q A -1.2720
313 A A -1.2700
314 N A -1.9538
315 L A 0.0000
316 L A 0.0000
317 S A -0.9499
318 Q A 0.0000
319 V A 0.0000
320 E A -1.0548
321 R A -1.2386
322 G A 0.0000
323 I A 0.0000
324 V A -0.2046
325 P A -0.2902
326 V A 0.0000
327 M A 0.0000
328 Y A 0.0000
329 G A 0.0000
330 G A 0.0000
331 Q A 0.0000
332 I A 0.0000
333 L A 0.0000
334 D A 0.0000
335 C A 0.0000
336 V A 0.0000
337 R A 0.0000
338 G A -0.0948
339 R A -0.3548
340 S A 0.0000
341 I A 0.0000
342 S A 0.0000
343 R A -0.2513
344 I A -0.4063
345 D A -0.6899
346 E A -0.2823
347 P A -0.4122
348 A A 0.0000
349 A A 0.2105
350 M A 0.4435
351 H A 0.0000
352 G A 0.0000
353 M A -0.2133
354 S A 0.2270
355 I A 0.0000
356 A A 0.0000
357 R A -0.6949
358 S A 0.0000
359 M A 0.0000
360 L A 0.0000
361 L A 0.0000
362 M A 0.0000
363 A A 0.0000
364 N A -1.4710
365 A A -0.8043
366 I A 0.0000
367 P A -1.0958
368 A A -1.2697
369 H A -1.7068
370 R A -1.4610
371 A A 0.0000
372 E A -2.4107
373 L A -0.8681
374 W A 0.0000
375 R A -1.2615
376 G A 0.0000
377 T A -0.3705
378 V A 0.0000
379 H A -0.7953
380 G A 0.0000
381 W A 0.0000
382 M A -0.6248
383 T A -0.5176
384 R A -0.9726
385 N A 0.0000
386 T A -0.1587
387 F A 0.6525
388 D A -0.2685
389 H A -1.3814
390 L A 0.0000
391 S A -1.5370
392 E A -2.2511
393 P A -1.3563
394 A A -0.7700
395 S A -0.7088
396 L A 0.0000
397 R A -0.9428
398 D A 0.0000
399 I A 0.0000
400 D A -1.1827
401 L A 0.0000
402 F A 0.0000
403 D A -1.2844
404 T A -0.9765
405 A A 0.0000
406 A A -1.2308
407 N A -1.8295
408 V A -1.7344
409 R A -2.1921
410 P A -1.1870
411 I A -0.2966
412 P A -0.6882
413 E A -0.7152
414 S A -0.4728
415 S A -0.9821
416 T A -0.6732
417 P A 0.0000
418 T A -0.3039
419 Y A -0.0040
420 F A 0.0000
421 A A 0.0000
422 S A -0.5951
423 I A 0.0000
424 D A 0.0000
425 R A 0.0000
426 L A 0.0000
427 V A 0.0000
428 H A 0.0000
429 R A 0.0000
430 T A 0.0000
431 P A -1.3128
432 N A -1.8332
433 W A 0.0000
434 L A 0.0000
435 I A 0.0000
436 A A 0.0000
437 V A 0.0000
438 S A 0.0000
439 N A 0.0000
440 C A 0.0000
441 S A 0.0000
442 N A -1.9804
443 R A -1.8603
444 I A 0.0000
445 S A 0.0000
446 W A 0.0000
447 Y A 0.0000
448 E A 0.0000
449 Y A -0.2549
450 G A 0.0000
451 N A -1.3550
452 S A -0.9393
453 E A 0.0000
454 N A 0.0000
455 E A -0.9937
456 W A -0.6373
457 A A 0.0000
458 S A 0.0000
459 R A 0.0000
460 T A 0.0000
461 S A 0.0000
462 Q A 0.0000
463 G A 0.0000
464 M A 0.0000
465 R A 0.0000
466 Y A 0.0000
467 L A 0.0000
468 M A 0.0000
469 L A 0.0000
470 P A -1.4845
471 E A -2.2575
472 D A -1.2590
473 M A 0.0000
474 G A -0.7231
475 Q A 0.0000
476 Y A 0.0000
477 E A -1.0075
478 D A -1.8932
479 G A 0.0000
480 F A 0.0000
481 W A 0.0000
482 A A 0.0000
483 T A 0.0000
484 V A 0.0000
485 D A -0.3729
486 Y A 0.0000
487 S A -0.2985
488 A A 0.0000
489 P A 0.0000
490 T A 0.0000
491 G A 0.0000
492 T A 0.0000
493 T A 0.0000
494 V A 0.0000
495 D A 0.0000
496 S A -0.9285
497 T A -0.9506
498 P A -0.6883
499 L A -0.7694
500 K A -1.7518
501 R A -1.3859
502 A A -0.7558
503 V A -0.8020
504 G A -1.1652
505 T A -1.0369
506 A A -0.7115
507 W A -0.6205
508 A A 0.0000
509 E A -2.6141
510 R A -2.9230
511 T A 0.0000
512 P A 0.0000
513 D A -2.5453
514 N A -1.8193
515 E A -1.5110
516 W A 0.0000
517 S A 0.0000
518 G A 0.0000
519 G A 0.0000
520 L A 0.0000
521 A A -0.3696
522 S A 0.0000
523 G A -1.1581
524 E A -1.7700
525 W A 0.0000
526 S A 0.0000
527 A A 0.0000
528 A A 0.0000
529 A A 0.0000
530 S A 0.0000
531 Q A -0.9413
532 I A 0.0000
533 T A -1.0922
534 S A -0.8273
535 Q A -0.8236
536 D A -1.0318
537 S A -1.0651
538 T A -1.1100
539 L A 0.0000
540 K A -1.6674
541 A A 0.0000
542 R A 0.0000
543 R A 0.0000
544 L A 0.0000
545 W A 0.0000
546 V A 0.0000
547 G A 0.0000
548 L A 0.0000
549 K A -1.2828
550 D A -0.7411
551 A A 0.0000
552 L A 0.0000
553 L A 0.0000
554 E A 0.0000
555 L A 0.0000
556 T A 0.0000
557 T A 0.0000
558 D A -2.0457
559 V A -1.6385
560 S A -1.5956
561 T A -1.6099
562 D A -2.2619
563 A A -1.5609
564 S A -1.3575
565 K A -1.9529
566 A A 0.0000
567 T A -0.5528
568 T A 0.0000
569 V A 0.0000
570 V A 0.0000
571 E A 0.0000
572 H A 0.0000
573 R A 0.0000
574 K A -0.7228
575 V A -0.9831
576 G A -1.3733
577 K A -2.1192
578 T A -1.1440
580 P A -1.2244
581 E A -0.9821
582 L A 0.0000
583 L A 0.0000
584 V A 0.0000
585 D A -0.4093
586 G A -0.1854
587 I A 1.0460
588 T A 0.2262
589 I A 0.0000
590 T A -0.6568
591 S A -1.2281
592 K A -2.0285
593 T A -0.8494
594 S A -1.1126
595 F A -1.2083
596 D A -2.5078
597 N A -2.2630
598 P A 0.0000
599 H A -1.7829
600 W A 0.0000
601 A A 0.0000
602 H A 0.0000
603 L A 0.0000
604 R A -1.4045
605 G A -1.2845
606 V A 0.0000
607 G A 0.0000
608 G A 0.0000
609 Y A 0.0000
610 V A 0.0000
611 F A 0.0000
612 A A -0.1219
613 T A -0.8516
614 D A -2.3595
615 V A 0.0000
616 D A -1.6756
617 L A 0.0000
618 T A -0.8914
619 A A 0.0000
620 Q A -1.2314
621 L A -1.0041
622 E A -1.7878
623 K A -2.3915
624 R A -2.4391
625 K A -2.7947
626 G A -1.9591
627 S A 0.0000
628 W A -0.7603
629 I A -0.8834
630 D A -1.4868
631 V A 0.0000
632 N A 0.0000
633 P A -0.7374
634 A A -0.5527
635 R A -0.7888
636 T A -0.5353
637 V A -0.8155
638 K A -2.1657
639 G A -1.8836
640 F A -1.6169
641 N A -2.4541
642 E A -2.5119
643 A A -1.7436
644 I A -1.7506
645 E A -2.3826
646 R A -2.4793
647 N A -1.9588
648 Y A 0.0000
649 A A 0.0000
650 S A 0.0000
651 L A 0.0000
652 H A -0.3409
653 V A 0.0000
654 T A -0.8737
655 H A 0.0000
656 H A -2.5976
657 N A -2.7523
658 R A -3.2061
659 P A -2.1122
660 V A 0.0000
661 A A 0.0000
662 W A 0.0000
663 A A 0.0000
664 V A 0.0000
665 L A 0.0000
666 P A 0.0000
667 T A -0.9201
668 A A 0.0000
669 S A -1.2552
670 R A -1.8655
671 S A -1.1569
672 Q A -1.2375
673 T A 0.0000
674 M A -1.2371
675 A A -1.1395
676 L A 0.0000
677 A A -1.3474
678 Q A -2.1639
679 R A -2.6636
680 P A -1.5326
681 V A -0.0521
682 D A -1.6305
683 N A -2.1035
684 L A 0.0000
685 F A 0.0000
686 I A 0.4816
687 V A 0.9115
688 L A 0.8049
689 S A -0.0728
690 N A -1.0515
691 D A -2.2828
692 R A -2.4840
693 M A -1.2569
694 V A 0.0000
695 Q A 0.0000
696 A A 0.0000
697 V A 0.0000
698 R A -0.0943
699 S A 0.0000
700 T A -0.2444
701 G A 0.0000
702 C A 0.0000
703 L A 0.0000
704 L A -0.2805
705 T A -0.8595
706 K A -1.7120
707 D A 0.0000
708 P A -0.7219
709 T A 0.0000
710 V A 0.4971
711 V A 0.0000
712 T A 0.0000
713 T A 0.0000
714 Y A 0.0000
715 A A 0.0000
716 F A 0.0000
717 W A 0.0000
718 K A -1.7401
719 P A -1.3486
720 A A -0.7087
721 T A -0.3969
722 C A 0.0000
723 A A -0.2603
724 G A -0.8146
725 M A 0.0000
726 T A -0.7240
727 A A 0.0000
728 D A -1.7550
729 A A 0.0000
730 P A -0.8859
731 A A 0.0000
732 I A 0.0000
733 I A 0.0000
734 Q A 0.0000
735 T A -0.1605
736 Q A 0.0000
737 A A -0.7466
738 Q A -1.4960
739 G A -1.4423
740 S A -1.5779
741 R A -2.5097
742 V A -1.0264
743 E A -1.2240
744 V A 0.0000
745 I A 0.0000
746 M A 0.0000
747 S A 0.0000
748 E A 0.0000
749 P A 0.0000
750 T A -1.1741
751 Q A -1.8074
752 K A -2.4382
753 R A -1.8358
754 P A -1.6261
755 S A -1.7155
756 L A 0.0000
757 T A -1.2562
758 V A 0.0000
759 A A -1.0316
760 I A 0.0000
761 E A -2.4324
762 G A -1.8135
763 V A -0.9620
764 W A -0.4044
765 T A -0.5435
766 V A -0.8972
767 E A -2.3552
768 N A -1.9577
769 S A -1.4824
770 S A -1.8131
771 D A -2.3529
772 R A -2.1171
773 I A 0.0000
774 S A -1.2243
775 V A -0.6426
776 S A -0.8976
777 R A -1.9841
778 S A -2.3840
779 D A -3.0947
780 K A -3.1798
781 T A -2.3402
782 T A 0.0000
783 T A -0.8918
784 L A 0.0000
785 R A -1.9260
786 I A 0.0000
787 N A -2.4463
788 T A 0.0000
789 A A -1.9485
790 D A -2.5201
791 L A -1.6410
792 G A -1.3695
793 G A 0.0000
794 Q A -0.8867
795 S A -0.5805
796 I A -0.7408
797 R A -1.6739
798 V A 0.0000
799 T A -1.5058
800 L A 0.0000
801 S A -0.9755
802 P A -0.3381
803 A A 0.1924
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Laboratory of Theory of Biopolymers 2018