Project name: 8ef2c79dd243b7a

Status: done

Started: 2026-05-11 10:59:28
Settings
Chain sequence(s) A: LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNASSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLDPSDETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:22)
Show buried residues

Minimal score value
-3.2464
Maximal score value
2.0629
Average score
-0.4571
Total score value
-383.5115

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
1 L A 1.8445
2 A A 1.1019
3 F A 2.0629
4 S A 0.8734
5 P A 0.3414
6 P A -0.1630
7 F A 0.0605
8 Y A -0.2817
9 P A 0.0000
10 S A 0.0000
11 P A -0.1801
12 W A 0.0000
13 A A 0.0000
14 N A -1.7690
15 G A -1.7718
16 Q A -1.7813
17 G A -1.7426
18 E A -1.8595
19 W A 0.0000
20 A A -2.1895
21 E A -2.8892
22 A A 0.0000
23 Y A -1.8289
24 Q A -2.3560
25 R A -2.1829
26 A A 0.0000
27 V A -0.6184
28 A A -0.7387
29 I A -0.4785
30 V A 0.0000
31 S A -0.8035
32 Q A -1.4307
33 M A 0.0000
34 T A -0.7796
35 L A 0.0000
36 D A -0.3155
37 E A 0.0000
38 K A 0.0000
39 V A 0.0000
40 N A -0.2607
41 L A 0.0000
42 T A 0.0000
43 T A 0.0000
44 G A 0.0000
45 T A 0.0000
46 G A 0.0000
47 W A 0.3691
48 E A 0.1139
49 L A 0.0000
50 E A -0.2258
51 K A -0.3953
52 C A 0.0000
53 V A 0.0000
54 G A 0.0000
55 Q A 0.0000
56 T A 0.0000
57 G A -0.2957
58 G A 0.0000
59 V A 0.0000
60 P A -1.5963
61 R A -2.3623
62 L A -1.4897
63 N A -1.9060
64 I A 0.0000
65 G A -0.7885
66 G A -0.4797
67 M A 0.0000
68 C A 0.0000
69 L A 0.0000
70 Q A 0.0000
71 D A 0.0000
72 S A 0.0000
73 P A 0.0000
74 L A 0.0000
75 G A 0.0000
76 I A 0.0000
77 R A -0.5707
78 D A -0.7651
79 S A 0.0000
80 D A -0.6875
81 Y A 0.0508
82 N A 0.0000
83 S A 0.0000
84 A A 0.0000
85 F A 0.0000
86 P A 0.0000
87 A A 0.0000
88 G A 0.0000
89 V A 0.0000
90 N A 0.0000
91 V A 0.0000
92 A A 0.0000
93 A A 0.0000
94 T A 0.0000
95 W A 0.0000
96 D A -1.0028
97 K A -1.2195
98 N A -1.4595
99 L A 0.0000
100 A A 0.0000
101 Y A -0.6616
102 L A 0.1138
103 R A 0.0000
104 G A 0.0000
105 Q A -0.7371
106 A A 0.0000
107 M A 0.0000
108 G A 0.0000
109 Q A -1.1510
110 E A 0.0000
111 F A 0.0000
112 S A -0.3595
113 D A -0.9565
114 K A 0.0000
115 G A 0.0000
116 I A 0.0000
117 D A 0.0000
118 V A 0.0000
119 Q A 0.0000
120 L A 0.0000
121 G A 0.0000
122 P A 0.0000
123 A A 0.0000
124 A A 0.0000
125 G A 0.0000
126 P A 0.0000
127 L A 0.0000
128 G A -0.1211
129 R A 0.0000
130 S A 0.0000
131 P A 0.0000
132 D A 0.0000
133 G A 0.0000
134 G A 0.0000
135 R A 0.0000
136 N A -0.1587
137 W A 0.0000
138 E A 0.0000
139 G A 0.0000
140 F A 0.0000
141 S A 0.0000
142 P A 0.0000
143 D A 0.0000
144 P A 0.0000
145 A A 0.0000
146 L A 0.0000
147 T A 0.0000
148 G A 0.0000
149 V A 0.0909
150 L A 0.0000
151 F A 0.0000
152 A A -0.5376
153 E A -0.8946
154 T A 0.0000
155 I A 0.0000
156 K A -1.4688
157 G A 0.0000
158 I A 0.0000
159 Q A -1.5322
160 D A -2.2599
161 A A -1.1862
162 G A 0.0000
163 V A 0.0000
164 V A 0.0000
165 A A 0.0000
166 T A 0.0000
167 A A 0.0000
168 K A 0.0000
169 H A 0.0000
170 Y A 0.0000
171 I A 0.0000
172 L A 0.0000
173 N A 0.0000
174 E A 0.0000
175 Q A 0.0000
176 E A 0.0000
177 H A -0.4007
178 F A 0.0000
179 R A 0.0000
180 Q A -0.1109
181 V A 0.0592
182 A A -0.0616
183 E A -0.0269
184 A A 0.0000
185 A A -0.4014
186 G A -0.3969
187 Y A -0.1145
188 G A -0.5453
189 F A -0.8016
190 N A -1.6213
191 I A 0.0000
192 S A -1.0674
193 D A -0.9383
194 T A 0.0000
195 I A 0.0000
196 S A 0.0000
197 S A 0.0000
198 N A -0.7682
199 V A -1.2787
200 D A -1.7717
201 D A -0.8734
202 K A -0.6973
203 T A 0.0000
204 I A 0.0000
205 H A 0.0000
206 E A -0.3165
207 M A 0.0000
208 Y A 0.0000
209 L A 0.0000
210 W A 0.0000
211 P A 0.0000
212 F A 0.0000
213 A A 0.0000
214 D A -0.5018
215 A A 0.0000
216 V A 0.0000
217 R A -1.2419
218 A A 0.0000
219 G A 0.0000
220 V A 0.0000
221 G A 0.0000
222 A A 0.0000
223 I A 0.0000
224 M A 0.0000
225 C A 0.0000
226 S A 0.0000
227 Y A 0.0000
228 N A 0.0000
229 Q A 0.0000
230 I A 0.0000
231 N A 0.2294
232 N A 0.3513
233 S A 0.0150
234 Y A -0.2274
235 G A 0.0000
236 C A 0.0000
237 Q A -0.3261
238 N A 0.0000
239 S A 0.0000
240 Y A 0.0876
241 T A 0.0000
242 L A 0.0000
243 N A 0.0000
244 K A -0.0074
245 L A 0.0000
246 L A 0.0000
247 K A 0.0000
248 A A 0.0374
249 E A 0.0000
250 L A 0.0000
251 G A -0.5365
252 F A 0.0000
253 Q A 0.0000
254 G A 0.0000
255 F A 0.0000
256 V A 0.0000
257 M A 0.0000
258 S A 0.0000
259 D A 0.0000
260 W A 0.2681
261 G A 0.1673
262 A A 0.0000
263 H A 0.0000
264 H A -0.1788
265 S A 0.0096
266 G A 0.1610
267 V A 0.1839
268 G A -0.1836
269 S A 0.0000
270 A A 0.0000
271 L A 0.0000
272 A A 0.0000
273 G A 0.0000
274 L A 0.0000
275 D A 0.0000
276 M A 0.0000
277 S A 0.0000
278 M A 0.0000
279 P A 0.0000
280 G A 0.0000
281 D A 0.0000
282 I A 0.8807
283 T A 0.6544
284 F A 0.8253
285 D A 0.2470
286 S A 0.1673
287 A A -0.0024
288 T A 0.1639
289 S A 0.0000
290 F A 0.3878
291 W A 0.0000
292 G A 0.0000
293 T A -0.1595
294 N A -0.3339
295 L A 0.0000
296 T A 0.0000
297 I A 0.0000
298 A A 0.0000
299 V A 0.0000
300 L A -0.4178
301 N A -0.9570
302 G A -0.7536
303 T A -0.3530
304 V A 0.0000
305 P A -0.4533
306 Q A -0.3398
307 W A 0.0000
308 R A 0.0000
309 V A 0.0000
310 D A 0.0000
311 D A 0.0000
312 M A 0.0000
313 A A 0.0000
314 V A 0.0000
315 R A 0.0000
316 I A 0.0000
317 M A 0.0000
318 A A 0.0000
319 A A 0.0000
320 Y A 0.0000
321 Y A -1.2054
322 K A -1.4797
323 V A 0.0000
324 G A 0.0000
325 R A 0.0000
326 D A -1.2837
327 R A -1.6326
328 L A -0.2716
329 Y A -0.0616
330 Q A -0.4585
331 P A -0.4320
332 P A 0.0000
333 N A 0.0000
334 F A 0.0000
335 S A 0.0000
336 S A 0.0000
337 W A -0.2093
338 T A -0.9500
339 R A -1.8616
340 D A -2.7057
341 E A -2.6404
342 Y A -0.9630
343 G A -0.5012
344 F A 0.2829
345 K A -0.5260
346 Y A -0.1945
347 F A 0.3355
348 Y A 0.3749
349 P A -0.3998
350 Q A -0.7867
351 E A -0.8696
352 G A -0.7266
353 P A -0.2847
354 Y A 0.6974
355 E A -0.6095
356 K A -1.6023
357 V A 0.0000
358 N A 0.0000
359 H A -1.1180
360 F A -0.1168
361 V A -0.0459
362 N A -1.1477
363 V A 0.0000
364 Q A -1.4966
365 R A -2.3849
366 N A -2.4609
367 H A 0.0000
368 S A -1.9642
369 E A -2.9390
370 V A 0.0000
371 I A 0.0000
372 R A -2.0097
373 K A -2.1910
374 L A 0.0000
375 G A 0.0000
376 A A 0.0000
377 D A 0.0000
378 S A 0.0000
379 T A 0.0000
380 V A 0.0000
381 L A 0.0000
382 L A 0.0000
383 K A -0.9266
384 N A -1.3004
385 N A -2.1536
386 N A -1.9948
387 A A -1.1932
388 L A 0.0000
389 P A -0.5555
390 L A 0.0000
391 T A -0.7946
392 G A 0.0000
393 K A -2.8349
394 E A -2.4043
395 R A -3.1407
396 K A -1.8773
397 V A 0.0000
398 A A 0.0000
399 I A 0.0000
400 L A 0.0000
401 G A 0.0000
402 E A -0.9071
403 D A 0.0000
404 A A 0.0000
405 G A 0.0000
406 S A -0.4472
407 N A -0.2960
408 S A 0.0750
409 Y A 0.7256
410 G A 0.0104
411 A A -0.1559
412 N A -0.5963
413 G A -0.3720
414 C A -0.3138
415 S A -0.5771
416 D A -0.6169
417 R A 0.0000
418 G A -0.2556
419 C A -0.4626
420 D A -0.5680
421 N A -0.5378
422 G A 0.0000
423 T A 0.0000
424 L A 0.0000
425 A A 0.0000
426 M A 0.0000
427 A A 0.0000
428 W A 0.0000
429 G A 0.0000
430 S A -0.1015
431 G A 0.0000
432 T A 0.0000
433 A A 0.0000
434 E A -0.6630
435 F A 0.0000
436 P A 0.0418
437 Y A 0.7003
438 L A 0.3396
439 V A 0.1036
440 T A 0.0000
441 P A 0.0000
442 E A -0.8656
443 Q A -1.3697
444 A A 0.0000
445 I A 0.0000
446 Q A -0.4662
447 A A -0.5216
448 E A 0.0000
449 V A 0.0000
450 L A -0.2592
451 K A -1.8195
452 H A -2.3420
453 K A -2.5763
454 G A -2.1761
455 S A -0.8565
456 V A 0.3380
457 Y A 1.2414
458 A A 0.2279
459 I A 0.0000
460 T A -0.6477
461 D A -1.3715
462 N A 0.0000
463 W A 0.3466
464 A A -0.3180
465 L A -0.5444
466 S A -0.7733
467 Q A -1.6678
468 V A 0.0000
469 E A -2.0976
470 T A -1.6651
471 L A -1.2441
472 A A 0.0000
473 K A -3.0071
474 Q A -2.4343
475 A A -1.6825
476 S A -1.7915
477 V A 0.0000
478 S A 0.0000
479 L A 0.0000
480 V A 0.0000
481 F A 0.0000
482 V A 0.0000
483 N A 0.0000
484 S A 0.0000
485 D A 0.0000
486 A A 0.0000
487 G A 0.0000
488 E A 0.0000
489 G A 0.0000
490 Y A 0.4574
491 I A 0.0455
492 S A -0.5337
493 V A -0.9690
494 D A -2.1061
495 G A -1.5297
496 N A 0.0000
497 E A -0.7846
498 G A 0.0000
499 D A 0.0000
500 R A 0.0000
501 N A -2.0372
502 N A -1.7265
503 L A 0.0000
504 T A -0.5705
505 L A 0.0000
506 W A -0.5326
507 K A -0.6559
508 N A -0.7853
509 G A 0.0000
510 D A -1.3135
511 N A -1.3279
512 L A 0.0000
513 I A 0.0000
514 K A -1.5947
515 A A 0.0000
516 A A 0.0000
517 A A 0.0000
518 N A -2.1872
519 N A -2.2270
520 C A 0.0000
521 N A -2.0696
522 N A -1.1636
523 T A 0.0000
524 I A 0.0000
525 V A 0.0000
526 V A 0.0000
527 I A 0.0000
528 H A 0.0000
529 S A 0.0000
530 V A 0.0000
531 G A 0.0000
532 P A 0.0000
533 V A 0.0000
534 L A -0.9462
535 V A 0.0000
536 D A -3.0999
537 E A -3.2464
538 W A 0.0000
539 Y A -1.7183
540 D A -2.5059
541 H A -2.0096
542 P A -1.4394
543 N A -1.6892
544 V A 0.0000
545 T A 0.0000
546 A A 0.0000
547 I A 0.0000
548 L A 0.0000
549 W A 0.0000
550 A A 0.0000
551 G A 0.0000
552 L A 0.0000
553 P A 0.0000
554 G A 0.0000
555 Q A 0.0000
556 E A 0.0000
557 S A 0.0000
558 G A 0.0000
559 N A -0.6908
560 S A 0.0000
561 L A 0.0000
562 A A 0.0000
563 D A 0.0000
564 V A 0.0000
565 L A 0.0000
566 Y A -0.3857
567 G A -0.6745
568 R A -1.3185
569 V A -0.6392
570 N A -0.1785
571 P A 0.0000
572 G A 0.0000
573 A A 0.0000
574 K A 0.0000
575 S A 0.0000
576 P A 0.0000
577 F A 0.0000
578 T A 0.0000
579 W A 0.0000
580 G A 0.0000
581 K A -1.8873
582 T A -1.2844
583 R A 0.0000
584 E A -1.8171
585 A A 0.0000
586 Y A 0.0000
587 G A -0.5478
588 D A -0.1078
589 Y A 0.8993
590 L A 0.0000
591 V A -0.6680
592 R A -1.3559
593 E A -2.2409
594 L A -1.9037
595 N A -2.1979
596 N A -1.6017
597 G A -1.9796
598 N A -2.2511
599 G A -1.5946
600 A A 0.0000
601 P A 0.0000
602 Q A -0.7902
603 D A 0.0000
604 D A -2.1542
605 F A 0.0000
606 S A -1.1469
607 E A -0.6291
608 G A -0.9266
609 V A 0.0000
610 F A -0.5933
611 I A 0.0000
612 D A 0.0000
613 Y A 0.0000
614 R A 0.0000
615 G A 0.0000
616 F A 0.0000
617 D A 0.0000
618 K A -3.1813
619 R A -2.6274
620 N A -2.5113
621 E A -1.7070
622 T A -0.8730
623 P A -0.5198
624 I A -0.5364
625 Y A 0.0000
626 E A -0.4562
627 F A 0.0000
628 G A 0.0000
629 H A -0.2799
630 G A 0.0839
631 L A 0.3942
632 S A 0.3054
633 Y A -0.1382
634 T A 0.0000
635 T A -0.3920
636 F A -0.7216
637 N A -1.5446
638 Y A -0.6006
639 S A -0.4788
640 G A -0.1566
641 L A -0.2207
642 H A -1.2270
643 I A -0.5457
644 Q A -1.0865
645 V A -0.1938
646 L A -0.5441
647 N A -1.3777
648 A A -1.3627
649 S A -1.3852
650 S A -1.5891
651 N A -1.8133
652 A A -1.4195
653 Q A -1.5570
654 V A -0.8460
655 A A -0.7088
656 T A -0.9854
657 E A -1.9585
658 T A -1.4245
659 G A -1.2067
660 A A -0.6879
661 A A -0.5510
662 P A -0.2766
663 T A -0.2056
664 F A -0.2594
665 G A -0.8609
666 Q A -1.2631
667 V A -0.7606
668 G A -1.5067
669 N A -1.8493
670 A A -1.4364
671 S A -1.6823
672 D A -2.1421
673 Y A 0.0000
674 V A -0.9052
675 Y A -0.8435
676 P A -1.2707
677 E A -2.0078
678 G A -1.3271
679 L A -0.7443
680 T A -0.9923
681 R A -1.7722
682 I A -0.9306
683 S A -0.8191
684 K A -0.5472
685 F A -0.2886
686 I A 0.0000
687 Y A -0.1097
688 P A 0.0000
689 W A -0.2097
690 L A 0.0000
691 N A -1.3685
692 S A -1.2658
693 T A -1.6997
694 D A -2.3896
695 L A -1.8715
696 K A -2.3273
697 A A -1.7404
698 S A 0.0000
699 S A 0.0000
700 G A -1.0341
701 D A -0.8945
702 P A -0.0581
703 Y A 0.9647
704 Y A 0.1024
705 G A -0.1126
706 V A 0.7136
707 D A -1.6509
708 T A -1.0307
709 A A -1.6564
710 E A -2.7931
711 H A -2.1258
712 V A -1.3983
713 P A -1.4496
714 E A -2.2452
715 G A -1.1891
716 A A 0.0000
717 T A -0.8369
718 D A -1.2218
719 G A -0.6949
720 S A -0.6517
721 P A -1.0501
722 Q A -1.0545
723 P A -0.9802
724 V A -0.3870
725 L A -0.1604
726 P A -0.1869
727 A A 0.0000
728 G A 0.0000
729 G A -0.5756
730 G A 0.0000
731 S A -0.8651
732 G A 0.0000
733 G A 0.0000
734 N A -0.6218
735 P A -1.0112
736 R A -1.8534
737 L A 0.0000
738 Y A -0.8376
739 D A -1.5122
740 E A -1.9614
741 L A 0.0000
742 I A 0.0000
743 R A -1.3525
744 V A 0.0000
745 S A 0.0000
746 V A 0.0000
747 T A -0.2211
748 V A 0.0000
749 K A -2.0797
750 N A 0.0000
751 T A -1.4596
752 G A -1.3243
753 R A -1.8363
754 V A -0.6684
755 A A -1.0463
756 G A 0.0000
757 D A -0.3640
758 A A 0.0000
759 V A 0.0000
760 P A 0.0000
761 Q A 0.0000
762 L A 0.0000
763 Y A 0.0000
764 V A 0.0000
765 S A -0.9279
766 L A 0.0000
767 G A -0.7559
768 G A -0.7908
769 P A -1.1072
770 N A -1.9448
771 E A -1.5831
772 P A 0.0000
773 K A -2.4381
774 V A 0.0000
775 V A 0.0000
776 L A 0.0000
777 R A 0.0000
778 K A -0.2962
779 F A 0.0000
780 D A -0.8019
781 R A -0.6751
782 L A 0.0391
783 T A -0.8091
784 L A 0.0000
785 D A -2.7937
786 P A -2.1145
787 S A -2.0490
788 D A -3.0637
789 E A -2.7583
790 T A -0.4429
791 V A 1.3001
792 W A 0.0000
793 T A 0.1046
794 T A -0.3958
795 T A -0.8587
796 L A 0.0000
797 T A -1.0470
798 R A -0.8166
799 R A 0.0000
800 D A 0.0000
801 L A 0.0000
802 S A 0.0000
803 N A 0.0000
804 W A 0.0000
805 D A 0.0797
806 V A 0.7611
807 A A 0.4632
808 A A 0.1305
809 Q A -0.0630
810 D A -0.2540
811 W A 0.0073
812 V A 0.3502
813 I A 0.3119
814 T A 0.4051
815 S A 0.0401
816 Y A 0.3155
817 P A -0.4207
818 K A 0.0000
819 K A -1.3441
820 V A 0.0000
821 H A -0.7978
822 V A 0.0000
823 G A 0.0000
824 S A -0.4091
825 S A 0.0000
826 S A 0.0000
827 R A -1.1563
828 Q A -1.0803
829 L A -0.6165
830 P A -0.7218
831 L A -0.5198
832 H A -1.1762
833 A A -0.7332
834 A A -0.7877
835 L A 0.0000
836 P A -0.9327
837 K A -1.6913
838 V A -1.0621
839 Q A -1.5002
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Laboratory of Theory of Biopolymers 2018