Project name: 712d4ef08f9bc07

Status: done

Started: 2026-05-11 11:27:06
Settings
Chain sequence(s) A: LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNASSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLDRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:16)
Show buried residues

Minimal score value
-3.2791
Maximal score value
2.0601
Average score
-0.4592
Total score value
-385.3033

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 1.8289
2 A A 1.1023
3 F A 2.0601
4 S A 0.7179
5 P A 0.3470
6 P A -0.1588
7 F A 0.0628
8 Y A -0.2667
9 P A 0.0000
10 S A 0.0000
11 P A -0.1720
12 W A 0.0000
13 A A 0.0000
14 N A -1.5985
15 G A -1.5381
16 Q A -1.3148
17 G A -1.5552
18 E A -1.8395
19 W A 0.0000
20 A A -2.0906
21 E A -2.8917
22 A A 0.0000
23 Y A -1.8039
24 Q A -2.4147
25 R A -2.3181
26 A A 0.0000
27 V A -0.6376
28 A A -0.7675
29 I A -0.4953
30 V A 0.0000
31 S A -0.7941
32 Q A -1.3981
33 M A 0.0000
34 T A -0.8479
35 L A 0.0000
36 D A -0.4098
37 E A -0.7440
38 K A 0.0000
39 V A 0.0000
40 N A -0.3390
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 0.3576
48 E A 0.1131
49 L A 0.0000
50 E A -0.1671
51 K A -0.3810
52 C A 0.0000
53 V A 0.0000
54 G A 0.0000
55 Q A -0.2929
56 T A 0.0000
57 G A -0.3414
58 G A 0.0000
59 V A 0.0000
60 P A -1.6246
61 R A -2.3854
62 L A -1.5099
63 N A -1.9138
64 I A 0.0000
65 G A -0.8700
66 G A -0.4872
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 -0.5815
78 D A -0.7790
79 S A 0.0000
80 D A -0.6175
81 Y A 0.0517
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 -1.0087
97 K A -1.2210
98 N A -1.4477
99 L A 0.0000
100 A A 0.0000
101 Y A -0.6629
102 L A 0.1799
103 R A 0.0000
104 G A 0.0000
105 Q A -0.7499
106 A A 0.0000
107 M A 0.0000
108 G A 0.0000
109 Q A -1.5697
110 E A 0.0000
111 F A 0.0000
112 S A -0.9137
113 D A -1.9601
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 -0.0698
129 R A 0.0000
130 S A 0.0000
131 P A -0.0199
132 D A 0.0000
133 G A 0.0000
134 G A 0.0000
135 R A 0.0000
136 N A 0.0000
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 0.0831
150 L A 0.0000
151 F A 0.0000
152 A A -0.5879
153 E A -0.9361
154 T A 0.0000
155 I A 0.0000
156 K A -1.5700
157 G A 0.0000
158 I A 0.0000
159 Q A -1.5409
160 D A -2.3040
161 A A -1.2340
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 -0.3572
178 F A 0.0000
179 R A 0.0000
180 Q A -0.1073
181 V A 0.0638
182 A A -0.0585
183 E A -0.0198
184 A A 0.0000
185 A A -0.4093
186 G A -0.4014
187 Y A -0.1248
188 G A -0.5594
189 F A -0.8223
190 N A -1.6224
191 I A 0.0000
192 S A -1.0664
193 D A -0.9333
194 T A 0.0000
195 I A 0.0000
196 S A 0.0000
197 S A 0.0000
198 N A -0.7631
199 V A -1.2713
200 D A -1.7656
201 D A -0.8668
202 K A -0.6867
203 T A 0.0000
204 I A 0.0000
205 H A 0.0000
206 E A -0.3216
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 -0.5278
215 A A 0.0000
216 V A 0.0000
217 R A -1.3163
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 0.2291
232 N A 0.3453
233 S A 0.0094
234 Y A -0.2356
235 G A 0.0000
236 C A 0.0000
237 Q A -0.3457
238 N A 0.0000
239 S A 0.0000
240 Y A 0.0920
241 T A 0.0000
242 L A 0.0000
243 N A 0.0000
244 K A -0.0018
245 L A 0.0000
246 L A 0.0000
247 K A 0.0000
248 A A 0.0239
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 0.2603
261 G A 0.1409
262 A A 0.0000
263 H A 0.0000
264 H A -0.2143
265 S A -0.0216
266 G A 0.1346
267 V A 0.1728
268 G A -0.2418
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 0.8523
283 T A 0.6428
284 F A 0.8281
285 D A 0.2488
286 S A 0.1689
287 A A -0.0040
288 T A 0.1547
289 S A 0.0000
290 F A 0.3541
291 W A 0.0000
292 G A 0.0000
293 T A -0.1652
294 N A -0.3353
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 -0.4671
301 N A -0.9669
302 G A -0.8132
303 T A -0.3892
304 V A 0.0000
305 P A -0.6158
306 Q A -0.6999
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 -1.2460
322 K A -1.5342
323 V A 0.0000
324 G A 0.0000
325 R A 0.0000
326 D A -1.4215
327 R A -1.7447
328 L A -0.5911
329 Y A -0.5208
330 Q A -0.8075
331 P A -0.6290
332 P A -0.6496
333 N A 0.0000
334 F A 0.0000
335 S A 0.0000
336 S A 0.0000
337 W A -0.1963
338 T A -0.8522
339 R A -1.7058
340 D A -2.4632
341 E A -2.3134
342 Y A -0.9596
343 G A -0.5860
344 F A 0.1505
345 K A -0.6452
346 Y A -0.1237
347 F A 0.3807
348 Y A 0.3815
349 P A -0.3798
350 Q A -0.7064
351 E A -0.8240
352 G A -0.7647
353 P A -0.4308
354 Y A 0.3632
355 E A -1.3431
356 K A -1.8476
357 V A 0.0000
358 N A 0.0000
359 H A -1.1222
360 F A -0.0419
361 V A -0.1348
362 N A -1.3381
363 V A 0.0000
364 Q A -1.7347
365 R A -2.7342
366 N A -2.2297
367 H A 0.0000
368 S A -1.8549
369 E A -2.7733
370 V A 0.0000
371 I A 0.0000
372 R A -1.8199
373 K A -1.9084
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 -0.9242
384 N A -1.2955
385 N A -2.1520
386 N A -1.9933
387 A A -1.1904
388 L A 0.0000
389 P A -0.5463
390 L A 0.0000
391 T A -0.8344
392 G A 0.0000
393 K A -2.9108
394 E A -2.4723
395 R A -3.2010
396 K A -1.9149
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 -0.8791
403 D A 0.0000
404 A A 0.0000
405 G A 0.0000
406 S A -0.4285
407 N A -0.2455
408 S A 0.0782
409 Y A 0.7468
410 G A 0.0469
411 A A -0.1041
412 N A -0.4882
413 G A -0.3235
414 C A -0.2497
415 S A -0.5437
416 D A -0.5771
417 R A 0.0000
418 G A -0.2295
419 C A -0.4092
420 D A 0.0000
421 N A -0.4506
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 -0.0990
431 G A 0.0000
432 T A 0.0000
433 A A 0.0000
434 E A -0.6306
435 F A 0.0000
436 P A 0.0703
437 Y A 0.7208
438 L A 0.3614
439 V A 0.1189
440 T A 0.0000
441 P A 0.0000
442 E A -0.8110
443 Q A -1.2918
444 A A 0.0000
445 I A 0.0000
446 Q A -0.5653
447 A A -0.9122
448 E A -1.0702
449 V A 0.0000
450 L A -0.7308
451 K A -2.2130
452 H A -2.8631
453 K A -2.8794
454 G A -2.3964
455 S A -0.8012
456 V A 0.2402
457 Y A 1.2141
458 A A 0.2241
459 I A 0.0000
460 T A -0.6465
461 D A -1.3520
462 N A 0.0000
463 W A 0.4239
464 A A -0.2386
465 L A -0.3523
466 S A -0.6943
467 Q A -1.6346
468 V A 0.0000
469 E A -2.0337
470 T A -1.6792
471 L A 0.0000
472 A A 0.0000
473 K A -3.0388
474 Q A -2.4802
475 A A -1.7314
476 S A -1.8094
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 0.4745
491 I A 0.0250
492 S A -0.6053
493 V A 0.0000
494 D A -2.1963
495 G A -1.6279
496 N A 0.0000
497 E A -0.8468
498 G A 0.0000
499 D A 0.0000
500 R A 0.0000
501 N A -2.1632
502 N A -1.6016
503 L A 0.0000
504 T A -0.5041
505 L A 0.0000
506 W A -0.4716
507 K A -0.6394
508 N A -0.6344
509 G A 0.0000
510 D A -1.1754
511 N A -1.1442
512 L A 0.0000
513 I A 0.0000
514 K A -1.5547
515 A A 0.0000
516 A A 0.0000
517 A A 0.0000
518 N A -2.1913
519 N A -2.2339
520 C A 0.0000
521 N A -2.0794
522 N A -1.1644
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 -0.7721
535 V A 0.0000
536 D A -2.8829
537 E A -3.1309
538 W A 0.0000
539 Y A -1.7321
540 D A -2.5300
541 H A -2.0617
542 P A -1.4707
543 N A -1.7150
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 -0.6492
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 -0.3913
567 G A -0.6659
568 R A -1.3013
569 V A -0.7119
570 N A -0.2276
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 -1.5342
582 T A -1.0933
583 R A 0.0000
584 E A -1.7646
585 A A -1.3757
586 Y A 0.0000
587 G A -0.5707
588 D A -0.1132
589 Y A 0.9004
590 L A 0.0000
591 V A -0.6287
592 R A -1.3320
593 E A -2.2040
594 L A -1.8612
595 N A -2.2166
596 N A -1.7173
597 G A -2.0288
598 N A -2.2816
599 G A -1.6350
600 A A 0.0000
601 P A 0.0000
602 Q A -0.7878
603 D A 0.0000
604 D A -2.1476
605 F A 0.0000
606 S A -1.1470
607 E A -0.6305
608 G A -0.9235
609 V A 0.0000
610 F A -0.6137
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 -3.2791
619 R A -2.7963
620 N A -2.6955
621 E A -1.9991
622 T A -0.9777
623 P A 0.0000
624 I A -0.5105
625 Y A 0.0000
626 E A -0.4739
627 F A 0.0000
628 G A 0.0000
629 H A -0.2956
630 G A 0.0920
631 L A 0.4061
632 S A 0.2933
633 Y A -0.1524
634 T A 0.0000
635 T A -0.3834
636 F A -0.7086
637 N A -1.5099
638 Y A -0.5790
639 S A -0.4404
640 G A -0.1079
641 L A -0.1994
642 H A -1.2099
643 I A -0.5340
644 Q A -1.0849
645 V A -0.2190
646 L A -0.5761
647 N A -1.2909
648 A A -1.3436
649 S A -1.2220
650 S A -1.4983
651 N A -1.7463
652 A A -1.2812
653 Q A -1.4953
654 V A -0.7881
655 A A -0.7404
656 T A -1.0072
657 E A -1.9716
658 T A -1.4426
659 G A -1.2054
660 A A -0.6828
661 A A -0.5865
662 P A -0.3204
663 T A -0.2955
664 F A -0.3105
665 G A -0.8625
666 Q A -1.3097
667 V A -0.8228
668 G A -1.4836
669 N A -1.8464
670 A A -1.4393
671 S A -1.6835
672 D A -2.1434
673 Y A 0.0000
674 V A -0.9172
675 Y A -0.8463
676 P A -1.2788
677 E A -2.0132
678 G A -1.3306
679 L A -0.7487
680 T A -0.9881
681 R A -1.7656
682 I A -0.9206
683 S A -0.8153
684 K A -0.5580
685 F A -0.2774
686 I A 0.0000
687 Y A -0.1087
688 P A 0.0000
689 W A -0.2305
690 L A 0.0000
691 N A -1.3706
692 S A -1.2721
693 T A -1.7059
694 D A -2.3955
695 L A -1.8726
696 K A -2.3411
697 A A -1.7431
698 S A 0.0000
699 S A 0.0000
700 G A -1.0170
701 D A -0.8561
702 P A -0.0343
703 Y A 0.9868
704 Y A 0.1206
705 G A -0.0957
706 V A 0.7450
707 D A -1.6364
708 T A -1.0194
709 A A -1.6501
710 E A -2.7883
711 H A -2.1300
712 V A -1.4052
713 P A -1.4562
714 E A -2.2440
715 G A -1.1874
716 A A 0.0000
717 T A -0.8689
718 D A -1.2112
719 G A -0.7648
720 S A -0.6490
721 P A -1.0429
722 Q A -1.0494
723 P A -0.9809
724 V A -0.4196
725 L A -0.1508
726 P A -0.1722
727 A A 0.0000
728 G A 0.0000
729 G A -0.5645
730 G A -0.5254
731 S A -0.8359
732 G A 0.0000
733 G A 0.0000
734 N A -0.3900
735 P A -0.6942
736 R A -1.2144
737 L A 0.0000
738 Y A -0.7064
739 D A -1.4221
740 E A -2.0896
741 L A 0.0000
742 I A 0.0000
743 R A -1.3866
744 V A 0.0000
745 S A 0.0000
746 V A 0.0000
747 T A -0.1795
748 V A 0.0000
749 K A -1.7549
750 N A 0.0000
751 T A -1.3108
752 G A -1.2458
753 R A -1.8475
754 V A -0.6573
755 A A -0.9482
756 G A 0.0000
757 D A -0.3695
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 -0.8483
766 L A 0.0000
767 G A -0.7398
768 G A -0.8030
769 P A -1.1168
770 N A -1.9523
771 E A -1.6058
772 P A 0.0000
773 K A -2.4212
774 V A 0.0000
775 V A 0.0000
776 L A 0.0000
777 R A 0.0000
778 K A -0.3437
779 F A 0.0000
780 D A -0.8154
781 R A -0.6718
782 L A 0.0973
783 T A -0.5146
784 L A 0.0000
785 K A -2.4868
786 P A -1.9104
787 S A -1.7164
788 E A -2.2871
789 E A -2.3230
790 T A -0.2427
791 V A 1.3216
792 W A 0.0000
793 T A 0.1010
794 T A -0.4339
795 T A -0.9436
796 L A 0.0000
797 D A -1.1979
798 R A -0.7965
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 0.0918
806 V A 0.7806
807 A A 0.4901
808 A A 0.1695
809 Q A 0.0006
810 D A -0.1208
811 W A 0.0000
812 V A 0.2889
813 I A 0.1996
814 T A 0.2195
815 S A 0.0260
816 Y A 0.2849
817 P A -0.3936
818 K A 0.0000
819 K A -1.0992
820 V A 0.0000
821 H A -0.7554
822 V A 0.0000
823 G A 0.0000
824 S A -0.4510
825 S A 0.0000
826 S A 0.0000
827 R A -1.1889
828 Q A -1.2064
829 L A -0.6959
830 P A -0.7677
831 L A -0.5389
832 H A -1.1272
833 A A -0.6552
834 A A -0.6818
835 L A 0.0000
836 P A -0.8982
837 K A -1.7066
838 V A -1.0957
839 Q A -1.3451
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Laboratory of Theory of Biopolymers 2018