Project name: b4b66a26c208d14 [mutate: LS22A, AT23A, FS24A, ST25A, PT26A, FT28A]

Status: done

Started: 2026-04-03 11:07:06
Settings
Chain sequence(s) A: LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNAVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LS22A,AT23A,FS24A,ST25A,PT26A,FT28A
Energy difference between WT (input) and mutated protein (by FoldX) 8.05751 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:04:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:06:24)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:12)
Show buried residues

Minimal score value
-3.153
Maximal score value
1.3012
Average score
-0.4866
Total score value
-405.821

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
22 S A -0.5219 mutated: LS22A
23 T A -0.6518 mutated: AT23A
24 S A -0.5198 mutated: FS24A
25 T A -0.3738 mutated: ST25A
26 T A -0.2494 mutated: PT26A
27 P A -0.5619
28 T A -0.3259 mutated: FT28A
29 Y A -0.4633
30 P A 0.0000
31 S A 0.0000
32 P A -0.2556
33 W A 0.0000
34 A A 0.0000
35 N A -1.6453
36 G A -1.5864
37 Q A -1.3523
38 G A -1.5112
39 E A -1.6756
40 W A 0.0000
41 A A -2.0434
42 E A -2.8273
43 A A 0.0000
44 Y A -1.7823
45 Q A -2.3333
46 R A -2.0969
47 A A 0.0000
48 V A -0.5806
49 A A -0.6867
50 I A -0.4625
51 V A 0.0000
52 S A -0.7942
53 Q A -1.1989
54 M A 0.0000
55 T A -0.8437
56 L A 0.0000
57 D A -0.4247
58 E A -0.7526
59 K A 0.0000
60 V A 0.0000
61 N A -0.3451
62 L A 0.0000
63 T A 0.0000
64 T A 0.0000
65 G A 0.0000
66 T A 0.0000
67 G A 0.0000
68 W A 0.2438
69 E A 0.0762
70 L A 0.0000
71 E A -0.2142
72 K A -0.4394
73 C A 0.0000
74 V A 0.0000
75 G A 0.0000
76 Q A 0.0000
77 T A 0.0000
78 G A -0.3251
79 G A 0.0000
80 V A 0.0000
81 P A -1.6466
82 R A -2.2803
83 L A -1.5206
84 N A -1.9093
85 I A 0.0000
86 G A -1.0177
87 G A -0.6017
88 M A 0.0000
89 C A 0.0000
90 L A 0.0000
91 Q A 0.0000
92 D A 0.0000
93 S A 0.0000
94 P A 0.0000
95 L A 0.0000
96 G A 0.0000
97 I A 0.0000
98 R A -0.6007
99 D A -0.8185
100 S A 0.0000
101 D A -0.5119
102 Y A 0.0577
103 N A 0.0000
104 S A 0.0000
105 A A 0.0000
106 F A 0.0000
107 P A 0.0000
108 A A 0.0000
109 G A 0.0000
110 V A 0.0000
111 N A 0.0000
112 V A 0.0000
113 A A 0.0000
114 A A 0.0000
115 T A 0.0000
116 W A 0.0000
117 D A -0.9564
118 K A -1.1691
119 N A -1.4559
120 L A 0.0000
121 A A 0.0000
122 Y A -0.7378
123 L A 0.1143
124 R A 0.0000
125 G A 0.0000
126 Q A -0.8142
127 A A 0.0000
128 M A 0.0000
129 G A 0.0000
130 Q A -1.0703
131 E A 0.0000
132 F A 0.0000
133 S A -0.3938
134 D A -0.8801
135 K A 0.0000
136 G A 0.0000
137 I A 0.0000
138 D A 0.0000
139 V A 0.0000
140 Q A 0.0000
141 L A 0.0000
142 G A 0.0000
143 P A 0.0000
144 A A 0.0000
145 A A 0.0000
146 G A 0.0000
147 P A 0.0000
148 L A 0.0000
149 G A -0.0968
150 R A 0.0000
151 S A 0.0000
152 P A -0.1040
153 D A 0.0000
154 G A 0.0000
155 G A 0.0000
156 R A 0.0000
157 N A -0.1436
158 W A 0.0000
159 E A 0.0000
160 G A 0.0000
161 F A 0.0000
162 S A 0.0000
163 P A 0.0000
164 D A 0.0000
165 P A 0.0000
166 A A 0.0000
167 L A 0.0000
168 T A 0.0000
169 G A 0.0000
170 V A 0.1245
171 L A 0.0000
172 F A 0.0000
173 A A -0.5327
174 E A -0.8993
175 T A 0.0000
176 I A 0.0000
177 K A -1.6716
178 G A 0.0000
179 I A 0.0000
180 Q A -1.4830
181 D A -2.2848
182 A A -1.1553
183 G A 0.0000
184 V A 0.0000
185 V A 0.0000
186 A A 0.0000
187 T A 0.0000
188 A A 0.0000
189 K A 0.0000
190 H A 0.0000
191 Y A 0.0000
192 I A 0.0000
193 L A 0.0000
194 N A 0.0000
195 E A 0.0000
196 Q A 0.0000
197 E A 0.0000
198 H A -0.3560
199 F A 0.0000
200 R A 0.0000
201 Q A -0.0611
202 V A -0.0341
203 A A -0.1338
204 E A -0.2418
205 A A 0.0000
206 A A -0.4761
207 G A -0.4441
208 Y A -0.2521
209 G A -0.5914
210 F A -0.8693
211 N A -1.6596
212 I A 0.0000
213 S A -1.0701
214 D A -1.0108
215 T A 0.0000
216 I A 0.0000
217 S A 0.0000
218 S A 0.0000
219 N A 0.0000
220 V A -1.2309
221 D A -1.7857
222 D A -0.9830
223 K A -0.8677
224 T A 0.0000
225 I A 0.0000
226 H A 0.0000
227 E A -0.3431
228 M A 0.0000
229 Y A 0.0000
230 L A 0.0000
231 W A 0.0000
232 P A 0.0000
233 F A 0.0000
234 A A 0.0000
235 D A -0.4630
236 A A 0.0000
237 V A 0.0000
238 R A -1.1305
239 A A -0.8576
240 G A 0.0000
241 V A 0.0000
242 G A 0.0000
243 A A 0.0000
244 I A 0.0000
245 M A 0.0000
246 C A 0.0000
247 S A 0.0000
248 Y A 0.0000
249 N A 0.0000
250 Q A 0.0000
251 I A 0.0000
252 N A -0.8955
253 N A -0.7192
254 S A -0.4909
255 Y A 0.0000
256 G A 0.0000
257 C A 0.0000
258 Q A -0.3567
259 N A 0.0000
260 S A 0.0000
261 Y A -0.0421
262 T A 0.0000
263 L A 0.0000
264 N A 0.0000
265 K A -0.1173
266 L A 0.0000
267 L A 0.0000
268 K A 0.0000
269 A A 0.0248
270 E A 0.0000
271 L A 0.0000
272 G A -0.4420
273 F A 0.0000
274 Q A 0.0000
275 G A 0.0000
276 F A 0.0000
277 V A 0.0000
278 M A 0.0000
279 S A 0.0000
280 D A 0.0000
281 W A 0.2462
282 G A 0.1108
283 A A 0.0000
284 H A 0.0000
285 H A -0.2123
286 S A 0.0012
287 G A 0.1763
288 V A 0.2543
289 G A -0.1457
290 S A 0.0000
291 A A 0.0000
292 L A 0.0000
293 A A 0.0000
294 G A 0.0000
295 L A 0.0000
296 D A 0.0000
297 M A 0.0000
298 S A 0.0000
299 M A 0.0000
300 P A 0.0000
301 G A 0.0000
302 D A 0.0000
303 I A 0.6722
304 T A 0.4109
305 F A 0.5197
306 D A -0.1800
307 S A -0.0775
308 A A -0.1664
309 T A -0.0493
310 S A 0.0000
311 F A 0.3141
312 W A 0.0000
313 G A 0.0000
314 T A -0.1476
315 N A -0.3307
316 L A 0.0000
317 T A 0.0000
318 I A 0.0000
319 A A 0.0000
320 V A 0.0000
321 L A -0.3818
322 N A -0.9260
323 G A -0.7425
324 T A -0.3206
325 V A 0.0000
326 P A -0.4421
327 Q A -0.3769
328 W A 0.0000
329 R A 0.0000
330 V A 0.0000
331 D A 0.0000
332 D A 0.0000
333 M A 0.0000
334 A A 0.0000
335 V A 0.0000
336 R A 0.0000
337 I A 0.0000
338 M A 0.0000
339 A A 0.0000
340 A A 0.0000
341 Y A 0.0000
342 Y A 0.0000
343 K A -1.3965
344 V A -0.9020
345 G A 0.0000
346 R A 0.0000
347 D A -1.3190
348 R A -1.6638
349 L A -0.3455
350 Y A -0.7277
351 Q A -1.4214
352 P A -0.8993
353 P A 0.0000
354 N A -0.6650
355 F A 0.0000
356 S A 0.0000
357 S A 0.0000
358 W A -0.2276
359 T A -0.9493
360 R A -1.8592
361 D A -2.6689
362 E A -2.6206
363 Y A -1.3014
364 G A -0.7736
365 F A 0.1538
366 K A -0.9559
367 Y A -0.2360
368 F A 0.2167
369 Y A 0.2458
370 P A -0.4313
371 Q A -0.7149
372 E A -0.6817
373 G A -0.8135
374 P A -0.5687
375 Y A 0.1543
376 E A -1.6507
377 K A -2.0312
378 V A 0.0000
379 N A 0.0000
380 H A -1.0506
381 F A -0.0467
382 V A 0.0923
383 N A -1.1481
384 V A 0.0000
385 Q A -1.7128
386 R A -2.9438
387 N A -2.6844
388 H A 0.0000
389 S A -1.9345
390 E A -2.7792
391 V A -1.3186
392 I A 0.0000
393 R A -1.7608
394 K A -1.7872
395 L A 0.0000
396 G A 0.0000
397 A A 0.0000
398 D A 0.0000
399 S A 0.0000
400 T A 0.0000
401 V A 0.0000
402 L A 0.0000
403 L A 0.0000
404 K A -0.9740
405 N A -1.3518
406 N A -2.1823
407 N A -2.0214
408 A A -1.2330
409 L A 0.0000
410 P A -0.5866
411 L A 0.0000
412 T A -0.7471
413 G A 0.0000
414 K A -2.7195
415 E A -2.3250
416 R A -3.0641
417 K A -1.8638
418 V A 0.0000
419 A A 0.0000
420 I A 0.0000
421 L A 0.0000
422 G A 0.0000
423 E A -0.9141
424 D A 0.0000
425 A A 0.0000
426 G A 0.0000
427 S A -0.4416
428 N A -0.2687
429 S A 0.1021
430 Y A 0.7148
431 G A -0.0510
432 A A -0.2487
433 N A -0.7832
434 G A -0.4405
435 C A -0.3420
436 S A -0.6902
437 D A -0.7928
438 R A 0.0000
439 G A -0.2538
440 C A -0.3616
441 D A 0.0000
442 N A -0.3690
443 G A 0.0000
444 T A 0.0000
445 L A 0.0000
446 A A 0.0000
447 M A 0.0000
448 A A 0.0000
449 W A 0.0000
450 G A 0.0000
451 S A -0.1369
452 G A 0.0000
453 T A 0.0000
454 A A 0.0000
455 E A -0.7770
456 F A 0.0000
457 P A 0.1137
458 Y A 0.5704
459 L A 0.2843
460 V A 0.0910
461 T A 0.0000
462 P A 0.0000
463 E A -0.9609
464 Q A -1.3741
465 A A 0.0000
466 I A 0.0000
467 Q A -0.8216
468 A A -0.9650
469 E A -1.0406
470 V A 0.0000
471 L A -0.6790
472 K A -1.9435
473 H A -2.2109
474 K A -2.5360
475 G A -2.1548
476 S A -0.7786
477 V A -0.0272
478 Y A 0.9138
479 A A 0.1066
480 I A -0.1748
481 T A -0.7265
482 D A -1.6007
483 N A 0.0000
484 W A 0.2785
485 A A -0.3155
486 L A -0.4734
487 S A -0.6972
488 Q A -1.4513
489 V A 0.0000
490 E A -2.0527
491 T A -1.6682
492 L A 0.0000
493 A A 0.0000
494 K A -2.9294
495 Q A -2.4506
496 A A -1.7429
497 S A -1.7356
498 V A 0.0000
499 S A 0.0000
500 L A 0.0000
501 V A 0.0000
502 F A 0.0000
503 V A 0.0000
504 N A 0.0000
505 S A 0.0000
506 D A 0.0000
507 A A 0.0000
508 G A 0.0000
509 E A 0.0000
510 G A 0.0000
511 Y A 0.4607
512 I A 0.0793
513 S A -0.4411
514 V A -0.8790
515 D A -2.0542
516 G A -1.4968
517 N A 0.0000
518 E A -0.6998
519 G A 0.0000
520 D A 0.0000
521 R A 0.0000
522 N A -1.9012
523 N A -1.5868
524 L A 0.0000
525 T A -0.5342
526 L A 0.0000
527 W A -0.4834
528 K A -0.7456
529 N A -0.8342
530 G A 0.0000
531 D A -1.6964
532 N A -1.7653
533 L A 0.0000
534 I A 0.0000
535 K A -1.9132
536 A A 0.0000
537 A A 0.0000
538 A A 0.0000
539 N A -2.2322
540 N A -2.2717
541 C A 0.0000
542 N A -2.0540
543 N A -1.1689
544 T A 0.0000
545 I A 0.0000
546 V A 0.0000
547 V A 0.0000
548 I A 0.0000
549 H A 0.0000
550 S A 0.0000
551 V A 0.0000
552 G A 0.0000
553 P A 0.0000
554 V A 0.0000
555 L A -0.8478
556 V A 0.0000
557 D A -2.7791
558 E A -3.1530
559 W A 0.0000
560 Y A -1.6521
561 D A -2.4403
562 H A -1.9930
563 P A -1.4131
564 N A -1.6863
565 V A 0.0000
566 T A -1.4616
567 A A 0.0000
568 I A 0.0000
569 L A 0.0000
570 W A 0.0000
571 A A 0.0000
572 G A 0.0000
573 L A 0.0000
574 P A 0.0000
575 G A 0.0000
576 Q A 0.0000
577 E A 0.0000
578 S A 0.0000
579 G A 0.0000
580 N A -0.6703
581 S A 0.0000
582 L A 0.0000
583 A A 0.0000
584 D A 0.0000
585 V A 0.0000
586 L A 0.0000
587 Y A -0.4603
588 G A -0.7448
589 R A -1.4548
590 V A -0.7838
591 N A -0.2300
592 P A 0.0000
593 G A 0.0000
594 A A 0.0000
595 K A 0.0000
596 S A 0.0000
597 P A 0.0000
598 F A 0.0000
599 T A 0.0000
600 W A 0.0000
601 G A 0.0000
602 K A -1.6947
603 T A -1.2797
604 R A -1.2975
605 E A -1.9192
606 A A -1.4203
607 Y A 0.0000
608 G A -0.4991
609 D A 0.0000
610 Y A 0.6506
611 L A 0.0000
612 V A -0.6763
613 R A -1.3410
614 E A -2.3250
615 L A -2.1152
616 N A -2.5155
617 N A -2.4324
618 G A -2.2909
619 N A -2.4232
620 G A -1.8016
621 A A 0.0000
622 P A 0.0000
623 Q A -1.4144
624 D A 0.0000
625 D A -2.0875
626 F A 0.0000
627 S A -1.1558
628 E A -0.7183
629 G A -1.0382
630 V A 0.0000
631 F A 0.0000
632 I A 0.0000
633 D A 0.0000
634 Y A 0.0000
635 R A 0.0000
636 G A 0.0000
637 F A 0.0000
638 D A 0.0000
639 K A -3.0438
640 R A -2.5229
641 N A -2.5223
642 E A -1.8795
643 T A -0.9845
644 P A 0.0000
645 I A -0.4679
646 Y A 0.0000
647 E A -0.4514
648 F A 0.0000
649 G A 0.0000
650 H A 0.0000
651 G A 0.0850
652 L A 0.3586
653 S A 0.3098
654 Y A -0.0932
655 T A 0.0000
656 T A -0.2694
657 F A -0.6846
658 N A -1.2086
659 Y A 0.0000
660 S A -0.3718
661 G A -0.2165
662 L A -0.3336
663 H A -1.3675
664 I A -0.5948
665 Q A -0.9761
666 V A 0.3860
667 L A -0.3022
668 N A -1.0557
669 A A -1.0095
675 V A 1.3012
676 A A 0.3348
677 T A -0.4566
678 E A -1.7612
679 T A -1.4463
680 G A -1.2183
681 A A -0.6867
682 A A -0.5522
683 P A -0.2832
684 T A -0.2828
685 F A -0.3123
686 G A -0.8980
687 Q A -1.2807
688 V A -0.7566
689 G A -1.4248
690 N A -1.8585
691 A A -1.4461
692 S A -1.7190
693 D A -2.1816
694 Y A 0.0000
695 V A -0.9950
696 Y A -0.8314
697 P A -1.2869
698 E A -1.8500
699 G A -1.3077
700 L A -0.6773
701 T A -0.9060
702 R A -1.4437
703 I A -0.8725
704 S A -0.8429
705 K A -0.7155
706 F A -0.3578
707 I A 0.0000
708 Y A -0.1141
709 P A 0.0000
710 W A -0.2446
711 L A 0.0000
712 N A -1.3758
713 S A -1.4338
714 T A -1.7016
715 D A -2.2501
716 L A -1.8240
717 K A -2.3447
718 A A -1.7351
719 S A -1.5856
720 S A -1.3471
721 G A -1.1340
722 D A -0.9834
723 P A -0.2620
724 Y A 0.6279
725 Y A -0.2937
726 G A -0.5952
727 V A -0.2857
728 D A -2.0466
729 T A -1.3750
730 A A -1.7623
731 E A -2.8653
732 H A -2.1978
733 V A -1.3611
734 P A -1.4942
735 E A -2.2836
736 G A -1.2162
737 A A 0.0000
738 T A -0.8231
739 D A -1.1951
740 G A -0.6960
741 S A -0.6306
742 P A -1.0441
743 Q A -1.0461
744 P A -0.9410
745 V A -0.1814
746 L A -0.1126
747 P A -0.0449
748 A A 0.0000
749 G A 0.0000
750 G A -0.1163
751 G A 0.0000
752 S A -0.7516
753 G A 0.0000
754 G A 0.0000
755 N A -0.4854
756 P A -0.7190
757 R A -1.7490
758 L A 0.0000
759 Y A -0.9139
760 D A -1.4649
761 E A -1.7525
762 L A 0.0000
763 I A 0.0000
764 R A -1.7653
765 V A 0.0000
766 S A -0.3730
767 V A 0.0000
768 T A -0.1717
769 V A 0.0000
770 K A -1.8346
771 N A 0.0000
772 T A -1.2734
773 G A -1.1605
774 R A -1.6573
775 V A -0.3056
776 A A -0.8958
777 G A 0.0000
778 D A -0.4083
779 A A 0.0000
780 V A 0.0000
781 P A 0.0000
782 Q A 0.0000
783 L A 0.0000
784 Y A 0.0000
785 V A 0.0000
786 S A -0.8012
787 L A 0.0000
788 G A -0.6553
789 G A -0.7350
790 P A -1.1110
791 N A -2.0078
792 E A -1.6433
793 P A 0.0000
794 K A -2.2362
795 V A -1.1157
796 V A 0.0000
797 L A 0.0000
798 R A -0.2967
799 K A -0.4064
800 F A 0.0000
801 D A -0.8419
802 R A -0.6926
803 L A -0.1604
804 T A -0.8425
805 L A 0.0000
806 K A -2.5886
807 P A -1.9441
808 S A -1.9507
809 E A -2.7841
810 E A -2.5599
811 T A -0.3776
812 V A 1.2627
813 W A 0.0000
814 T A -0.0604
815 T A -0.5287
816 T A -1.0133
817 L A 0.0000
818 T A -1.1184
819 R A -0.9827
820 R A 0.0000
821 D A 0.0000
822 L A 0.0000
823 S A 0.0000
824 N A 0.0000
825 W A 0.0000
826 D A 0.0015
827 V A 0.6766
828 A A 0.4155
829 A A 0.1118
830 Q A -0.0621
831 D A -0.2339
832 W A 0.0617
833 V A 0.3405
834 I A 0.0341
835 T A 0.0593
836 S A -0.0230
837 Y A 0.5288
838 P A -0.2919
839 K A 0.0000
840 K A -1.0182
841 V A 0.0000
842 H A -0.7134
843 V A 0.0000
844 G A 0.0000
845 S A -0.5111
846 S A 0.0000
847 S A 0.0000
848 R A -1.3505
849 Q A -1.4217
850 L A -0.8311
851 P A -0.7765
852 L A -0.5940
853 H A -1.1742
854 A A -0.7149
855 A A -0.6820
856 L A -0.5665
857 P A -0.8872
858 K A -1.5947
859 V A -0.9128
860 Q A -1.4031
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Laboratory of Theory of Biopolymers 2018