Project name: a59b974323e12e7

Status: done

Started: 2026-05-12 10:33:36
Settings
Chain sequence(s) A: LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNASSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:03)
Show buried residues

Minimal score value
-3.3463
Maximal score value
2.0848
Average score
-0.4746
Total score value
-398.2176

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 1.8479
2 A A 1.1152
3 F A 2.0848
4 S A 0.9162
5 P A 0.3990
6 P A -0.1440
7 F A 0.0615
8 Y A -0.2613
9 P A 0.0000
10 S A 0.0000
11 P A -0.0838
12 W A -0.2955
13 A A 0.0000
14 N A -1.5489
15 G A 0.0000
16 Q A -1.2922
17 G A -1.5265
18 E A -1.7359
19 W A 0.0000
20 A A -2.0289
21 E A -2.8380
22 A A 0.0000
23 Y A -1.7331
24 Q A -2.3660
25 R A -2.2189
26 A A 0.0000
27 V A -0.6515
28 A A -0.7708
29 I A -0.4862
30 V A 0.0000
31 S A -0.9556
32 Q A -1.5268
33 M A 0.0000
34 T A -0.9003
35 L A 0.0000
36 D A -0.3415
37 E A 0.0000
38 K A 0.0000
39 V A 0.0000
40 N A -0.2453
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 0.3619
48 E A 0.1725
49 L A 0.0000
50 E A -0.0620
51 K A -0.3984
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 -0.2302
58 G A -0.6784
59 V A 0.0000
60 P A -1.5753
61 R A -2.3523
62 L A -1.4528
63 N A -1.9629
64 I A -1.0699
65 G A -0.7315
66 G A -0.4156
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 -0.6517
78 D A -0.8960
79 S A 0.0000
80 D A -0.8085
81 Y A -0.0321
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 -1.0155
97 K A -1.2150
98 N A -1.4569
99 L A 0.0000
100 A A 0.0000
101 Y A -0.7023
102 L A 0.2025
103 R A 0.0000
104 G A 0.0000
105 Q A -0.7080
106 A A 0.0000
107 M A 0.0000
108 G A 0.0000
109 Q A -0.9814
110 E A 0.0000
111 F A 0.0000
112 S A 0.0000
113 D A -0.6742
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 -0.1025
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 -0.1559
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 0.0677
150 L A 0.0000
151 F A 0.0000
152 A A -0.6573
153 E A -0.9352
154 T A 0.0000
155 I A 0.0000
156 K A -1.4971
157 G A 0.0000
158 I A 0.0000
159 Q A -1.5312
160 D A -2.2657
161 A A -1.2147
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 -0.4178
178 F A 0.0000
179 R A 0.0000
180 Q A -0.1131
181 V A 0.0575
182 A A -0.0584
183 E A -0.0119
184 A A 0.0000
185 A A -0.3759
186 G A -0.4017
187 Y A -0.1487
188 G A -0.5235
189 F A -0.6698
190 N A -1.5607
191 I A 0.0000
192 S A -1.0596
193 D A -0.9388
194 T A 0.0000
195 I A 0.0000
196 S A 0.0000
197 S A 0.0000
198 N A -0.7444
199 V A -1.2770
200 D A -1.7412
201 D A -0.8643
202 K A -0.7347
203 T A 0.0000
204 I A 0.0000
205 H A 0.0000
206 E A -0.3196
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 -0.7301
215 A A 0.0000
216 V A 0.0000
217 R A -1.7508
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 0.2528
232 N A 0.3709
233 S A 0.0597
234 Y A -0.2349
235 G A 0.0000
236 C A 0.0000
237 Q A -0.3698
238 N A 0.0000
239 S A 0.0000
240 Y A 0.0837
241 T A 0.0000
242 L A 0.0000
243 N A 0.0000
244 K A -0.0182
245 L A 0.0000
246 L A 0.0000
247 K A 0.0000
248 A A 0.0499
249 E A 0.0000
250 L A 0.0000
251 G A 0.0000
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 0.2383
261 G A 0.1016
262 A A 0.0000
263 H A 0.0000
264 H A -0.2353
265 S A -0.0635
266 G A 0.0518
267 V A 0.0349
268 G A -0.2722
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 0.8073
283 T A 0.5807
284 F A 0.7068
285 D A 0.1312
286 S A 0.1074
287 A A -0.0859
288 T A 0.1254
289 S A 0.0000
290 F A 0.2824
291 W A 0.0000
292 G A 0.0000
293 T A -0.1931
294 N A -0.4450
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 -0.5054
301 N A -0.9295
302 G A -0.8169
303 T A -0.6632
304 V A 0.0000
305 P A -0.6913
306 Q A -0.9538
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 -1.5808
322 K A -1.6339
323 V A 0.0000
324 G A -1.5003
325 R A 0.0000
326 D A -2.6302
327 R A -2.4067
328 L A -0.8985
329 Y A -0.7833
330 Q A -0.8318
331 P A -0.5422
332 P A 0.0000
333 N A -0.3934
334 F A 0.0000
335 S A 0.0000
336 S A 0.0000
337 W A -0.1870
338 T A -0.8193
339 R A -1.6972
340 D A -2.2688
341 E A -1.8890
342 Y A -0.7514
343 G A -0.3302
344 F A 0.5706
345 K A -0.4017
346 Y A 0.0677
347 F A 0.7162
348 Y A 0.4192
349 P A -0.3752
350 Q A -0.6469
351 E A -0.7928
352 G A -0.8197
353 P A -0.4700
354 Y A 0.4265
355 E A -1.3795
356 K A -1.6432
357 V A 0.0000
358 N A 0.0000
359 H A -0.7400
360 F A 0.1458
361 V A 0.1467
362 N A -1.1373
363 V A 0.0000
364 Q A -1.7177
365 R A -2.9423
366 N A -2.6996
367 H A 0.0000
368 S A -1.9972
369 E A -2.9093
370 V A -1.4611
371 I A 0.0000
372 R A -1.9601
373 K A -2.1275
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 -0.9663
384 N A -1.3295
385 N A -2.1630
386 N A -2.0267
387 A A -1.2093
388 L A 0.0000
389 P A -0.5747
390 L A 0.0000
391 T A -0.8418
392 G A -1.7495
393 K A -2.8957
394 E A -2.4189
395 R A -3.0951
396 K A -1.7810
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 -0.8586
403 D A 0.0000
404 A A 0.0000
405 G A 0.0000
406 S A -0.4327
407 N A -0.2561
408 S A 0.0910
409 Y A 0.7412
410 G A 0.0125
411 A A -0.1691
412 N A -0.6265
413 G A -0.3595
414 C A -0.2864
415 S A -0.5780
416 D A -0.6320
417 R A 0.0000
418 G A -0.2366
419 C A -0.3979
420 D A 0.0000
421 N A -0.4292
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 -0.1124
431 G A 0.0000
432 T A 0.0000
433 A A 0.0000
434 E A -0.7278
435 F A 0.0000
436 P A 0.1219
437 Y A 0.6849
438 L A 0.3329
439 V A 0.1077
440 T A 0.0000
441 P A 0.0000
442 E A -0.8456
443 Q A -1.3394
444 A A 0.0000
445 I A 0.0000
446 Q A -0.3980
447 A A -0.7362
448 E A -0.9015
449 V A 0.0000
450 L A -0.3004
451 K A -1.9488
452 H A -2.5880
453 K A -2.6659
454 G A -2.1957
455 S A -0.8365
456 V A 0.2621
457 Y A 1.0681
458 A A 0.1646
459 I A 0.0000
460 T A -0.6362
461 D A -1.2881
462 N A 0.0000
463 W A 0.4472
464 A A -0.2158
465 L A -0.3385
466 S A -0.7124
467 Q A -1.6484
468 V A 0.0000
469 E A -2.1065
470 T A -1.7074
471 L A 0.0000
472 A A 0.0000
473 K A -3.0347
474 Q A -2.4072
475 A A -1.6612
476 S A -1.7333
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 0.4939
491 I A 0.0366
492 S A -0.5936
493 V A 0.0000
494 D A -2.1909
495 G A -1.6251
496 N A 0.0000
497 E A -0.8324
498 G A 0.0000
499 D A 0.0000
500 R A 0.0000
501 N A -2.2184
502 N A -1.7520
503 L A 0.0000
504 T A -0.5762
505 L A 0.0000
506 W A -0.4934
507 K A -0.6280
508 N A -0.6262
509 G A 0.0000
510 D A -1.1747
511 N A -1.1348
512 L A 0.0000
513 I A 0.0000
514 K A -1.5358
515 A A 0.0000
516 A A 0.0000
517 A A 0.0000
518 N A -2.2002
519 N A -2.2387
520 C A 0.0000
521 N A -2.0856
522 N A -1.2971
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 -0.7874
535 V A 0.0000
536 D A -2.6477
537 E A -3.0131
538 W A 0.0000
539 Y A -1.6743
540 D A -2.4926
541 H A -2.0376
542 P A -1.4790
543 N A -1.7237
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 -0.7014
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 -0.4155
567 G A -0.6450
568 R A -1.3044
569 V A -0.6316
570 N A -0.1617
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 -1.4637
582 T A -1.1219
583 R A -1.7478
584 E A -2.5374
585 A A 0.0000
586 Y A 0.0000
587 G A -1.7395
588 D A -2.2921
589 Y A -1.2722
590 L A 0.0000
591 V A -1.1777
592 R A -1.5610
593 E A -2.1600
594 L A -1.6951
595 N A -2.1167
596 N A -1.6016
597 G A -1.9546
598 N A -2.2156
599 G A -1.5813
600 A A 0.0000
601 P A 0.0000
602 Q A -0.7585
603 D A 0.0000
604 D A -2.0988
605 F A 0.0000
606 S A -1.0967
607 E A -0.5738
608 G A -0.9349
609 V A 0.0000
610 F A 0.0000
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 -2.4917
618 K A -3.3463
619 R A -2.8299
620 N A -2.7380
621 E A -2.0482
622 T A -1.0174
623 P A 0.0000
624 I A -0.4568
625 Y A 0.0000
626 E A -0.4925
627 F A 0.0000
628 G A 0.0000
629 H A -0.3045
630 G A 0.0685
631 L A 0.3559
632 S A 0.3237
633 Y A -0.0906
634 T A 0.0000
635 T A -0.3490
636 F A -0.7207
637 N A -1.5337
638 Y A -0.6582
639 S A -0.5738
640 G A -0.3769
641 L A -0.3599
642 H A -1.3299
643 I A -0.6977
644 Q A -1.2084
645 V A -0.8112
646 L A -1.0906
647 N A -1.6536
648 A A -1.5036
649 S A -1.3439
650 S A -1.5663
651 N A -1.6879
652 A A -0.7523
653 Q A -0.5912
654 V A 1.2354
655 A A 0.3240
656 T A -0.6092
657 E A -1.9806
658 T A -1.4001
659 G A -1.2208
660 A A -0.6863
661 A A -0.5804
662 P A -0.3307
663 T A -0.4500
664 F A -0.5476
665 G A -1.3199
666 Q A -1.6042
667 V A -1.1248
668 G A -1.5499
669 N A -1.8551
670 A A -1.4695
671 S A -1.6005
672 D A -2.1852
673 Y A 0.0000
674 V A -1.0042
675 Y A -0.8177
676 P A -1.0910
677 E A -1.8207
678 G A -1.2630
679 L A -0.5705
680 T A -0.9050
681 R A -1.5652
682 I A -0.9726
683 S A -0.9204
684 K A -0.6867
685 F A -0.3190
686 I A 0.0000
687 Y A -0.0941
688 P A 0.0000
689 W A -0.2207
690 L A 0.0000
691 N A -1.3785
692 S A -1.3107
693 T A -1.7330
694 D A -2.4250
695 L A -1.8320
696 K A -2.4335
697 A A -1.8128
698 S A 0.0000
699 S A -1.3829
700 G A -1.1943
701 D A -1.1710
702 P A -0.3991
703 Y A 0.8814
704 Y A -0.1268
705 G A -0.5175
706 V A -0.2338
707 D A -2.0798
708 T A -1.6444
709 A A -1.7677
710 E A -2.6308
711 H A -1.8511
712 V A -1.3523
713 P A -1.3678
714 E A -2.2044
715 G A -1.2098
716 A A 0.0000
717 T A -0.9034
718 D A -1.2193
719 G A -0.7700
720 S A -0.8391
721 P A -1.0642
722 Q A -1.0284
723 P A -0.8758
724 V A -0.0170
725 L A -0.0800
726 P A -0.1057
727 A A 0.0000
728 G A 0.0000
729 G A -0.6730
730 G A -0.7289
731 S A -1.0141
732 G A 0.0000
733 G A 0.0000
734 N A 0.0000
735 P A -0.8994
736 R A -1.2811
737 L A 0.0000
738 Y A -0.5688
739 D A -1.4882
740 E A -1.9376
741 L A 0.0000
742 I A 0.0000
743 R A -1.5624
744 V A 0.0000
745 S A -0.3035
746 V A 0.0000
747 T A -0.2778
748 V A 0.0000
749 K A -1.8488
750 N A 0.0000
751 T A -1.2983
752 G A -1.1764
753 R A -1.7275
754 V A -0.4145
755 A A -0.8058
756 G A 0.0000
757 D A -0.3427
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 -0.8207
766 L A 0.0000
767 G A -0.7189
768 G A -0.8115
769 P A -1.1252
770 N A -2.0200
771 E A -1.6760
772 P A 0.0000
773 K A -2.4679
774 V A 0.0000
775 V A 0.0000
776 L A 0.0000
777 R A 0.0000
778 K A -0.3301
779 F A 0.0000
780 D A -0.8650
781 R A -0.6846
782 L A -0.0937
783 T A -0.5197
784 L A 0.0000
785 K A -2.4289
786 P A -1.8230
787 S A -1.6996
788 E A -2.3135
789 E A -2.3730
790 T A -0.2667
791 V A 1.2381
792 W A 0.0000
793 T A 0.0015
794 T A -0.4473
795 T A -0.9500
796 L A 0.0000
797 T A -0.8795
798 R A 0.0000
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 0.0776
806 V A 0.8203
807 A A 0.5096
808 A A 0.1646
809 Q A -0.0216
810 D A -0.1641
811 W A 0.0000
812 V A 0.2920
813 I A 0.2115
814 T A 0.3567
815 S A 0.0141
816 Y A 0.3177
817 P A -0.3646
818 K A 0.0000
819 K A -1.0031
820 V A 0.0000
821 H A -0.7525
822 V A 0.0000
823 G A 0.0000
824 S A -0.4553
825 S A 0.0000
826 S A 0.0000
827 R A -1.2446
828 Q A -1.1900
829 L A -0.6973
830 P A -0.7632
831 L A -0.5586
832 H A -1.0986
833 A A -0.6238
834 A A -0.5992
835 L A -0.6452
836 P A -1.0818
837 K A -1.8382
838 V A 0.0000
839 Q A -1.9359
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Laboratory of Theory of Biopolymers 2018