Project name: bf027520f07946d

Status: done

Started: 2026-05-14 12:02:35
Settings
Chain sequence(s) A: LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLQASSNATVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:10)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:28)
Show buried residues

Minimal score value
-3.2503
Maximal score value
2.0608
Average score
-0.4511
Total score value
-378.5032

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 1.8430
2 A A 1.1021
3 F A 2.0608
4 S A 0.7323
5 P A 0.3742
6 P A -0.1083
7 F A 0.1739
8 Y A -0.2163
9 P A 0.0000
10 S A 0.0000
11 P A -0.1669
12 W A 0.0000
13 A A 0.0000
14 N A -1.7230
15 G A -1.6883
16 Q A -1.6261
17 G A -1.6474
18 E A -1.7580
19 W A 0.0000
20 A A -2.1295
21 E A -2.8601
22 A A 0.0000
23 Y A -1.8133
24 Q A -2.3462
25 R A -2.1615
26 A A 0.0000
27 V A -0.5944
28 A A -0.7226
29 I A -0.4855
30 V A 0.0000
31 S A -0.6614
32 Q A -1.4265
33 M A 0.0000
34 T A -0.8589
35 L A 0.0000
36 D A -0.4120
37 E A -0.7466
38 K A 0.0000
39 V A 0.0000
40 N A -0.3357
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 0.3743
48 E A 0.1603
49 L A 0.0000
50 E A -0.1693
51 K A -0.3883
52 C A 0.0000
53 V A 0.0000
54 G A 0.0000
55 Q A -0.2897
56 T A 0.0000
57 G A -0.3424
58 G A 0.0000
59 V A 0.0000
60 P A -1.6227
61 R A -2.3843
62 L A -1.5059
63 N A -1.9052
64 I A 0.0000
65 G A -0.8503
66 G A -0.4907
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 -0.5704
78 D A -0.7755
79 S A 0.0000
80 D A -0.6010
81 Y A 0.0552
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 -0.9983
97 K A -1.1948
98 N A -1.4326
99 L A 0.0000
100 A A 0.0000
101 Y A -0.5277
102 L A 0.1806
103 R A 0.0000
104 G A 0.0000
105 Q A -0.6483
106 A A 0.0000
107 M A 0.0000
108 G A 0.0000
109 Q A -1.0755
110 E A 0.0000
111 F A 0.0000
112 S A 0.0000
113 D A -0.6426
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 -0.0703
129 R A 0.0000
130 S A 0.0000
131 P A -0.0196
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 0.1148
150 L A 0.0000
151 F A 0.0000
152 A A -0.4062
153 E A -0.6241
154 T A 0.0000
155 I A 0.0000
156 K A -1.1555
157 G A 0.0000
158 I A 0.0000
159 Q A -1.3965
160 D A -2.1783
161 A A -1.1228
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 0.0000
178 F A 0.0000
179 R A 0.0000
180 Q A -0.0947
181 V A 0.0666
182 A A -0.0501
183 E A 0.0152
184 A A 0.0000
185 A A -0.3789
186 G A -0.3513
187 Y A -0.0049
188 G A -0.5043
189 F A -0.7659
190 N A -1.5986
191 I A 0.0000
192 S A -1.0654
193 D A -0.9366
194 T A 0.0000
195 I A 0.0000
196 S A 0.0000
197 S A 0.0000
198 N A -0.7677
199 V A -1.2709
200 D A -1.7505
201 D A -0.8318
202 K A -0.6449
203 T A 0.0000
204 I A 0.0000
205 H A 0.0000
206 E A -0.3146
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 -0.5118
215 A A 0.0000
216 V A 0.0000
217 R A -1.2983
218 A A -0.8190
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 0.2275
232 N A 0.3483
233 S A 0.0183
234 Y A -0.2273
235 G A 0.0000
236 C A 0.0000
237 Q A -0.3085
238 N A 0.0000
239 S A 0.0000
240 Y A 0.1369
241 T A 0.0000
242 L A 0.0000
243 N A 0.0000
244 K A 0.0273
245 L A 0.0000
246 L A 0.0000
247 K A 0.0000
248 A A 0.0392
249 E A 0.0000
250 L A 0.0000
251 G A -0.4687
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 0.0000
261 G A 0.1590
262 A A 0.0000
263 H A 0.0000
264 H A -0.1794
265 S A -0.0013
266 G A 0.1415
267 V A 0.1773
268 G A -0.2133
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 0.9149
283 T A 0.6777
284 F A 0.8380
285 D A 0.2582
286 S A 0.1945
287 A A 0.0012
288 T A 0.1709
289 S A 0.0000
290 F A 0.3580
291 W A 0.0000
292 G A 0.0000
293 T A -0.1810
294 N A -0.3723
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 -0.5049
301 N A -0.9787
302 G A -0.8501
303 T A -0.4157
304 V A 0.0000
305 P A -0.7119
306 Q A -0.8781
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 -1.1877
322 K A -1.4441
323 V A 0.0000
324 G A 0.0000
325 R A 0.0000
326 D A -1.3345
327 R A -1.6784
328 L A -0.3081
329 Y A -0.2654
330 Q A -0.5501
331 P A -0.4840
332 P A -0.4643
333 N A 0.0000
334 F A 0.0000
335 S A 0.0000
336 S A 0.0000
337 W A -0.1978
338 T A -0.8996
339 R A -1.7835
340 D A -2.5019
341 E A -2.2783
342 Y A -1.0623
343 G A -0.6259
344 F A 0.1718
345 K A -0.6542
346 Y A -0.1140
347 F A 0.4250
348 Y A 0.4053
349 P A -0.3968
350 Q A -0.7608
351 E A -0.8271
352 G A -0.7550
353 P A -0.4121
354 Y A 0.3655
355 E A -1.3173
356 K A -1.8559
357 V A 0.0000
358 N A 0.0000
359 H A -1.0550
360 F A -0.0106
361 V A 0.1045
362 N A -1.1472
363 V A 0.0000
364 Q A -1.7028
365 R A -2.9272
366 N A -2.7262
367 H A 0.0000
368 S A -2.0545
369 E A -2.9963
370 V A 0.0000
371 I A 0.0000
372 R A -1.9951
373 K A -2.1647
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 -0.9255
384 N A -1.2958
385 N A -2.1507
386 N A -1.9924
387 A A -1.1906
388 L A 0.0000
389 P A -0.5437
390 L A 0.0000
391 T A -0.7809
392 G A 0.0000
393 K A -2.7955
394 E A -2.3995
395 R A -3.1327
396 K A -1.8698
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 -0.8899
403 D A 0.0000
404 A A 0.0000
405 G A 0.0000
406 S A -0.4241
407 N A -0.2874
408 S A 0.0729
409 Y A 0.6954
410 G A -0.0329
411 A A -0.2117
412 N A -0.7384
413 G A -0.4539
414 C A -0.3470
415 S A -0.6222
416 D A -0.6712
417 R A 0.0000
418 G A -0.2349
419 C A -0.3768
420 D A 0.0000
421 N A -0.4663
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 -0.1070
431 G A 0.0000
432 T A 0.0000
433 A A 0.0000
434 E A -0.6560
435 F A 0.0000
436 P A 0.0738
437 Y A 0.7442
438 L A 0.3813
439 V A 0.1709
440 T A 0.0000
441 P A 0.0000
442 E A -0.8945
443 Q A -1.2171
444 A A 0.0000
445 I A 0.0000
446 Q A -0.6739
447 A A -0.8190
448 E A 0.0000
449 V A 0.0000
450 L A -0.6228
451 K A -1.9713
452 H A -2.3804
453 K A -2.6594
454 G A -2.2813
455 S A -0.8048
456 V A 0.2060
457 Y A 1.1765
458 A A 0.1932
459 I A 0.0000
460 T A -0.6840
461 D A -1.4239
462 N A 0.0000
463 W A 0.3516
464 A A -0.3103
465 L A -0.4884
466 S A -0.7465
467 Q A -1.5105
468 V A 0.0000
469 E A -2.0680
470 T A -1.6915
471 L A 0.0000
472 A A 0.0000
473 K A -2.9036
474 Q A -2.4337
475 A A -1.6953
476 S A -1.7869
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 0.5177
491 I A 0.0658
492 S A -0.4902
493 V A -0.9127
494 D A -2.0343
495 G A -1.4095
496 N A 0.0000
497 E A -0.7293
498 G A 0.0000
499 D A 0.0000
500 R A 0.0000
501 N A -1.7320
502 N A -1.2367
503 L A 0.0000
504 T A -0.4191
505 L A 0.0000
506 W A -0.4593
507 K A -0.6817
508 N A -0.7073
509 G A 0.0000
510 D A -1.4638
511 N A -1.3452
512 L A 0.0000
513 I A 0.0000
514 K A -1.6096
515 A A -1.2895
516 A A 0.0000
517 A A 0.0000
518 N A -2.1841
519 N A -2.2231
520 C A 0.0000
521 N A -2.0768
522 N A -1.1614
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 -0.9041
535 V A 0.0000
536 D A -3.1301
537 E A -3.2503
538 W A 0.0000
539 Y A -1.7006
540 D A -2.5169
541 H A -2.0580
542 P A -1.4630
543 N A -1.7045
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 -0.6580
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 -0.3706
567 G A -0.6535
568 R A -1.3012
569 V A -0.6339
570 N A -0.1751
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 -1.9371
582 T A -1.3877
583 R A -1.2381
584 E A -1.9189
585 A A 0.0000
586 Y A 0.0000
587 G A -0.5946
588 D A -0.1313
589 Y A 0.8749
590 L A 0.0000
591 V A -0.6159
592 R A -1.2887
593 E A -2.1692
594 L A -1.8033
595 N A -2.1455
596 N A -1.5709
597 G A -1.9525
598 N A -2.2323
599 G A -1.5781
600 A A 0.0000
601 P A 0.0000
602 Q A -0.7719
603 D A 0.0000
604 D A -2.1535
605 F A 0.0000
606 S A -1.1458
607 E A -0.6286
608 G A -0.9202
609 V A 0.0000
610 F A -0.6192
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 -3.2385
619 R A -2.7284
620 N A -2.5668
621 E A -1.7475
622 T A -0.8919
623 P A 0.0000
624 I A -0.5206
625 Y A 0.0000
626 E A -0.5009
627 F A 0.0000
628 G A 0.0000
629 H A -0.3313
630 G A 0.0833
631 L A 0.3954
632 S A 0.3040
633 Y A -0.1341
634 T A 0.0000
635 T A -0.3784
636 F A -0.7037
637 N A -1.5116
638 Y A -0.6203
639 S A -0.5556
640 G A -0.3551
641 L A -0.3096
642 H A -1.2514
643 I A -0.4935
644 Q A -0.8110
645 V A 0.0138
646 L A -0.4008
647 Q A -1.2800
648 A A -1.2542
649 S A -1.1631
650 S A -1.2639
651 N A -1.3911
652 A A -0.6777
653 T A -0.3082
654 V A -0.1009
655 A A -0.3844
656 T A -0.8251
657 E A -1.9561
658 T A -1.4262
659 G A -1.2062
660 A A -0.6866
661 A A -0.6109
662 P A -0.3446
663 T A -0.3432
664 F A -0.3420
665 G A -0.8948
666 Q A -1.3482
667 V A -0.8736
668 G A -1.4878
669 N A -1.8469
670 A A -1.4476
671 S A -1.6859
672 D A -2.1386
673 Y A 0.0000
674 V A -0.9178
675 Y A -0.8330
676 P A -1.2534
677 E A -1.9975
678 G A -1.3170
679 L A -0.7230
680 T A -0.9745
681 R A -1.7557
682 I A -0.9310
683 S A -0.8428
684 K A -0.5890
685 F A -0.2921
686 I A 0.0000
687 Y A -0.1150
688 P A 0.0000
689 W A -0.2331
690 L A 0.0000
691 N A -1.3903
692 S A -1.3127
693 T A -1.7239
694 D A -2.4090
695 L A -1.8881
696 K A -2.3458
697 A A -1.7553
698 S A 0.0000
699 S A -1.2662
700 G A -1.0367
701 D A -0.8850
702 P A -0.0511
703 Y A 0.9624
704 Y A 0.1007
705 G A -0.1167
706 V A 0.6998
707 D A -1.6586
708 T A -1.0285
709 A A -1.6510
710 E A -2.7954
711 H A -2.1364
712 V A -1.4000
713 P A -1.4387
714 E A -2.2309
715 G A -1.1721
716 A A 0.0000
717 T A -0.8957
718 D A -1.2305
719 G A -0.7209
720 S A -0.6550
721 P A -1.0505
722 Q A -1.0619
723 P A -0.9989
724 V A -0.4086
725 L A -0.1714
726 P A -0.1629
727 A A 0.0000
728 G A 0.0000
729 G A -0.3158
730 G A 0.0000
731 S A -0.8443
732 G A 0.0000
733 G A 0.0000
734 N A -0.2940
735 P A -0.4339
736 R A -0.8757
737 L A 0.0000
738 Y A -0.5283
739 D A -1.1958
740 E A -1.7978
741 L A 0.0000
742 I A 0.0000
743 R A -1.2372
744 V A 0.0000
745 S A 0.0000
746 V A 0.0000
747 T A -0.2480
748 V A 0.0000
749 K A -1.9161
750 N A 0.0000
751 T A -1.3950
752 G A -1.2882
753 R A -1.8284
754 V A -0.6409
755 A A -0.9999
756 G A 0.0000
757 D A -0.3594
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 -0.8432
766 L A 0.0000
767 G A -0.7792
768 G A -0.8627
769 P A -1.1390
770 N A -1.9489
771 E A -1.5882
772 P A 0.0000
773 K A -2.4155
774 V A 0.0000
775 V A 0.0000
776 L A 0.0000
777 R A 0.0000
778 K A -0.3082
779 F A 0.0000
780 D A -0.8198
781 R A -0.6840
782 L A 0.0889
783 T A -0.5896
784 L A 0.0000
785 K A -2.6611
786 P A -2.0443
787 S A -1.9692
788 E A -2.8484
789 E A -2.5961
790 T A -0.3709
791 V A 1.2919
792 W A 0.0000
793 T A 0.1008
794 T A -0.3859
795 T A -0.8046
796 L A 0.0000
797 T A -0.8876
798 R A -0.6070
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 0.1442
806 V A 0.8587
807 A A 0.5324
808 A A 0.2118
809 Q A 0.0661
810 D A -0.0961
811 W A 0.0000
812 V A 0.3411
813 I A 0.2814
814 T A 0.3320
815 S A -0.0405
816 Y A 0.1701
817 P A -0.4605
818 K A 0.0000
819 K A -1.0615
820 V A 0.0000
821 H A -0.7754
822 V A 0.0000
823 G A 0.0000
824 S A -0.5080
825 S A 0.0000
826 S A 0.0000
827 R A -1.3575
828 Q A -1.3880
829 L A -0.7635
830 P A -0.8062
831 L A -0.5801
832 H A -1.0994
833 A A -0.6304
834 A A -0.6204
835 L A -0.5644
836 P A -0.7869
837 K A -1.6587
838 V A -1.0187
839 Q A -1.4696
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Laboratory of Theory of Biopolymers 2018