Project name: T12502250025

Status: done

Started: 2026-08-18 04:41:34
Chain sequence(s) A: MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHWGGGGSGGGGSGGGGSKAAILRTIILASSVAVFATGCSKVSNMNGMDHSKMNMGSNSTSNSSESATSAKLTTATPVVDGKEFTITAQESNLEVEKGKTIPVWTFNNSVPGPQIRVKVGDTVKINLKNNLKQPVSIHWHGYPVPNNMDGIPGVTQDAVEPGKTFTYEFKATVPGTYWYHSHQDSVNQVDKGLYGSLVVEDPQDTADRDYTLVLDEWMSSGDMDMDNDGMNMAGHDMSMYDLYTINGKTGDAIDKLTVKEGEKVKLRLINAGYITHRMHLHGHSFKVVASDGQPVNAPAVIKDQFVSIAPGERYDIEFTAEHPGTWLLEEHAKDNRAQNMRAMIQYEGSNAKPTPSDASEELPDFDLEEYGSMSASAFTLDQTFDEDVTMNLNTEMRNGEMVYTINGKVFPDTDTIKVKKGDKVKVTFVNQSKMNDHPMHLHGHFFQVLSKNGKPVQGSPIMKDTLNVKPGETYEVAFEADNPGEWMFHCHDLHHASAGMVTDVMYDDYQNNYTPDPNVNNVPE
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:20:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:20:28)
Show buried residues

Minimal score value
-4.5306
Maximal score value
3.7508
Average score
-0.6808
Total score value
-549.4199

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 1.2992
2 S A 0.8525
3 I A 1.5558
4 Q A -0.3633
5 H A -0.4282
6 F A 0.9757
7 R A -0.2264
8 V A 1.9483
9 A A 1.9128
10 L A 2.9768
11 I A 3.6302
12 P A 2.6411
13 F A 3.5150
14 F A 3.3875
15 A A 2.2188
16 A A 2.3016
17 F A 3.0512
18 C A 2.6786
19 L A 3.1396
20 P A 2.3666
21 V A 2.9432
22 F A 2.7479
23 A A 0.8625
24 H A -0.2918
25 P A -0.4797
26 E A -1.7312
27 T A 0.0000
28 L A -0.1723
29 V A 0.3037
30 K A -1.0775
31 V A 0.0000
32 K A -2.1516
33 D A -2.2976
34 A A 0.0000
35 E A -2.4281
36 D A -3.4418
37 Q A -2.8153
38 L A 0.0000
39 G A -2.0513
40 A A -1.7519
41 R A -1.3889
42 V A 0.0000
43 G A 0.0000
44 Y A 0.0000
45 I A 0.0000
46 E A 0.0000
47 L A 0.0000
48 D A -1.3359
49 L A 0.0000
50 N A -1.9347
51 S A -1.5552
52 G A -1.4931
53 K A -1.7168
54 I A -0.1226
55 L A 0.1676
56 E A 0.0271
57 S A -0.0692
58 F A -0.4068
59 R A -1.3748
60 P A -1.2796
61 E A -2.2714
62 E A -1.8722
63 R A -1.6479
64 F A 0.0000
65 P A 0.0000
66 M A 0.0000
67 M A 0.0000
68 S A 0.0000
69 T A 0.0000
70 F A 0.0000
71 K A 0.0000
72 V A 0.0000
73 L A 0.0000
74 L A 0.0000
75 C A 0.0000
76 G A 0.0000
77 A A 0.0000
78 V A 0.0000
79 L A 0.0000
80 S A -0.4795
81 R A -1.1862
82 V A -1.1651
83 D A -1.1759
84 A A -1.1060
85 G A -1.5340
86 Q A -1.8873
87 E A -1.7501
88 Q A -2.3875
89 L A -1.7701
90 G A -1.9346
91 R A -2.3052
92 R A -2.2048
93 I A -1.2439
94 H A -1.6623
95 Y A 0.0000
96 S A -1.7182
97 Q A -2.2383
98 N A -2.2100
99 D A -2.0503
100 L A -1.4447
101 V A -1.0091
102 E A -1.4703
103 Y A -0.6446
104 S A -0.7583
105 P A -1.3553
106 V A -1.0432
107 T A 0.0000
108 E A -2.4873
109 K A -2.7850
110 H A -2.1349
111 L A -1.8082
112 T A -1.6447
113 D A -2.3520
114 G A 0.0000
115 M A 0.0000
116 T A -2.0490
117 V A 0.0000
118 R A -2.4368
119 E A -1.7685
120 L A 0.0000
121 C A 0.0000
122 S A -0.8571
123 A A 0.0000
124 A A 0.0000
125 I A 0.0000
126 T A -0.8007
127 M A 0.0000
128 S A 0.0000
129 D A 0.0000
130 N A 0.0000
131 T A 0.0000
132 A A 0.0000
133 A A 0.0000
134 N A -0.0315
135 L A -0.1147
136 L A 0.0000
137 L A 0.0000
138 T A -0.2350
139 T A -0.2253
140 I A -0.7055
141 G A -1.1145
142 G A 0.0000
143 P A 0.0000
144 K A -2.5765
145 E A -2.3416
146 L A 0.0000
147 T A -1.6095
148 A A -1.5711
149 F A -1.0885
150 L A 0.0000
151 H A -1.6076
152 N A -1.6279
153 M A -0.9494
154 G A -1.2368
155 D A 0.0000
156 H A -1.3139
157 V A -0.6838
158 T A 0.0000
159 R A -1.6445
160 L A 0.0000
161 D A -1.6095
162 R A -0.9805
163 W A -0.0677
164 E A 0.0000
165 P A -1.2522
166 E A -2.0773
167 L A 0.0000
168 N A -1.7380
169 E A -2.2523
170 A A 0.0000
171 I A -1.0989
172 P A -1.2033
173 N A -1.9714
174 D A -2.0077
175 E A -2.5472
176 R A -2.2137
177 D A 0.0000
178 T A 0.0000
179 T A 0.0000
180 M A -0.7981
181 P A 0.0000
182 A A -0.4539
183 A A -0.4820
184 M A 0.0000
185 A A 0.0000
186 T A -0.4959
187 T A 0.0000
188 L A 0.0000
189 R A -1.0385
190 K A -1.1355
191 L A 0.0000
192 L A 0.0000
193 T A -0.8680
194 G A -1.0108
195 E A -1.5094
196 L A -0.3882
197 L A 0.0000
198 T A 0.0725
199 L A 0.9875
200 A A 0.3054
201 S A 0.0000
202 R A -0.4380
203 Q A -0.8209
204 Q A -0.9958
205 L A 0.0000
206 I A -0.9614
207 D A -1.6309
208 W A 0.0000
209 M A 0.0000
210 E A -1.6575
211 A A -1.1883
212 D A 0.0000
213 K A -1.8745
214 V A -0.6410
215 A A 0.0000
216 G A -0.7683
217 P A -1.1901
218 L A 0.0000
219 L A 0.0000
220 R A -0.4908
221 S A -0.8596
222 A A -0.8003
223 L A -0.1344
224 P A -0.2785
225 A A -0.3756
226 G A -1.1757
227 W A -1.0252
228 F A -1.2026
229 I A 0.0000
230 A A 0.0000
231 D A 0.0000
232 K A 0.0000
233 S A 0.0000
234 G A 0.0000
235 A A -0.5624
236 G A -1.6157
237 E A -2.7798
238 R A -2.3144
239 G A 0.0000
240 S A 0.0000
241 R A 0.0000
242 G A 0.0000
243 I A 0.0000
244 I A 0.0000
245 A A 0.0000
246 A A 0.0000
247 L A 0.0000
248 G A 0.0000
249 P A -1.5104
250 D A -2.5951
251 G A -2.1025
252 K A -2.4997
253 P A -1.4675
254 S A -1.3235
255 R A -1.0182
256 I A 0.0000
257 V A 0.0000
258 V A 0.0000
259 I A 0.0000
260 Y A 0.0000
261 T A 0.0000
262 T A 0.0000
263 G A -1.3741
264 S A 0.0000
265 Q A -1.6029
266 A A -1.3742
267 T A -1.1452
268 M A -1.1418
269 D A -2.5525
270 E A -2.3696
271 R A 0.0000
272 N A 0.0000
273 R A -2.9809
274 Q A 0.0000
275 I A 0.0000
276 A A -1.5932
277 E A -2.0614
278 I A 0.0000
279 G A 0.0000
280 A A -1.0307
281 S A -1.1712
282 L A 0.0000
283 I A -0.8593
284 K A -1.9863
285 H A -1.6523
286 W A -0.8890
287 G A -1.1080
288 G A -1.3123
289 G A -0.5970
290 G A -0.9348
291 S A -1.0395
292 G A -1.1670
293 G A -1.1402
294 G A -1.1678
295 G A -1.1368
296 S A -0.8782
297 G A -1.0741
298 G A -1.1217
299 G A -1.0816
300 G A -1.2479
301 S A -1.3749
302 K A -1.8546
303 A A -0.3671
304 A A 1.0494
305 I A 2.3965
306 L A 1.6501
307 R A -0.1585
308 T A 0.8133
309 I A 2.8930
310 I A 3.7508
311 L A 3.0077
312 A A 1.0473
313 S A 0.4443
314 S A 0.6089
315 V A 2.0492
316 A A 2.1631
317 V A 3.1612
318 F A 2.8300
319 A A 1.2885
320 T A 0.3265
321 G A -0.1819
322 C A 0.0196
323 S A -0.4296
324 K A -0.8156
325 V A 0.5026
326 S A -0.0211
327 N A -0.7230
328 M A -0.3567
329 N A -1.0693
330 G A -0.7425
331 M A -0.5378
332 D A -2.0871
333 H A -1.9982
334 S A -1.8877
335 K A -1.8674
336 M A -0.3780
337 N A -0.8512
338 M A 0.0787
339 G A -0.6750
340 S A -1.0046
341 N A -1.5392
342 S A -1.2061
343 T A -1.0161
344 S A -1.1692
345 N A -1.8644
346 S A -1.5862
347 S A -1.6694
348 E A -2.2793
349 S A -1.2191
350 A A -0.6773
351 T A -0.7536
352 S A -0.5682
353 A A -0.7666
354 K A -1.6762
355 L A -0.4819
356 T A -0.4835
357 T A -0.2542
358 A A -0.0547
359 T A 0.2442
360 P A 0.6205
361 V A 1.4689
362 V A -0.1231
363 D A -2.1945
364 G A -2.7121
365 K A -3.7492
366 E A -3.3347
367 F A 0.0000
368 T A -0.8597
369 I A 0.0000
370 T A -1.0852
371 A A 0.0000
372 Q A -1.7686
373 E A -2.0840
374 S A 0.0000
375 N A -0.9341
376 L A 0.0000
377 E A -1.4984
378 V A 0.0000
379 E A -3.0519
380 K A -3.1013
381 G A -2.0168
382 K A -1.9304
383 T A -1.1632
384 I A 0.0000
385 P A -1.0195
386 V A 0.0000
387 W A 0.0000
388 T A 0.0000
389 F A 0.0000
390 N A -0.8168
391 N A -0.8197
392 S A 0.0000
393 V A 0.0000
394 P A 0.0000
395 G A 0.0000
396 P A 0.0000
397 Q A 0.0000
398 I A 0.0000
399 R A -1.0669
400 V A 0.0000
401 K A -2.0831
402 V A -0.7790
403 G A -1.0319
404 D A -1.6758
405 T A -2.1429
406 V A 0.0000
407 K A -2.5448
408 I A 0.0000
409 N A -0.9995
410 L A 0.0000
411 K A -1.9217
412 N A 0.0000
413 N A -2.7429
414 L A 0.0000
415 K A -2.6055
416 Q A -1.8919
417 P A -1.6023
418 V A 0.0000
419 S A 0.0000
420 I A 0.0000
421 H A 0.0000
422 W A 0.0000
423 H A 0.0000
424 G A -0.0459
425 Y A 0.0000
426 P A -0.2511
427 V A 0.0000
428 P A -0.6607
429 N A 0.0000
430 N A -0.5943
431 M A -0.2415
432 D A 0.0000
433 G A 0.0000
434 I A 0.0000
435 P A 0.0000
436 G A -0.4493
437 V A -0.0005
438 T A 0.0000
439 Q A 0.0000
440 D A -1.0101
441 A A 0.0000
442 V A 0.0000
443 E A -2.1681
444 P A -2.2813
445 G A -2.2820
446 K A -2.2999
447 T A -1.3838
448 F A -0.3140
449 T A -0.4542
450 Y A 0.0000
451 E A -2.1899
452 F A 0.0000
453 K A -2.4145
454 A A 0.0000
455 T A -0.5901
456 V A -0.1148
457 P A -0.5949
458 G A -0.2058
459 T A 0.0000
460 Y A 0.0000
461 W A 0.0000
462 Y A 0.0000
463 H A 0.0000
464 S A 0.0000
465 H A 0.0000
466 Q A 0.0000
467 D A -0.3857
468 S A 0.0000
469 V A 0.0000
470 N A 0.0000
471 Q A 0.0000
472 V A 0.0000
473 D A 0.0000
474 K A 0.0000
475 G A 0.0000
476 L A 0.0000
477 Y A 0.0000
478 G A 0.0000
479 S A 0.0000
480 L A 0.0000
481 V A 0.0000
482 V A 0.0000
483 E A -1.2125
484 D A -1.4793
485 P A -1.4545
486 Q A -1.8278
487 D A -1.7430
488 T A -1.4025
489 A A -1.7126
490 D A -2.7316
491 R A -1.9479
492 D A -1.1866
493 Y A -0.1115
494 T A 0.1202
495 L A 0.0000
496 V A 0.0000
497 L A 0.0000
498 D A 0.0000
499 E A 0.0000
500 W A 0.0000
501 M A -0.6496
502 S A -0.7387
503 S A -0.9126
504 G A 0.0000
505 D A -2.4241
506 M A 0.0000
507 D A -2.6289
508 M A -2.0027
509 D A -2.8076
510 N A -3.0404
511 D A -2.2485
512 G A -1.2695
513 M A -0.4406
514 N A -0.7516
515 M A -0.3995
516 A A -0.3807
517 G A -0.5037
518 H A -0.4651
519 D A -0.9211
520 M A -0.3021
521 S A -0.4998
522 M A -0.3068
523 Y A 0.0000
524 D A -1.3591
525 L A -0.8139
526 Y A 0.0000
527 T A 0.0000
528 I A 0.0000
529 N A -0.8476
530 G A 0.0000
531 K A -1.9285
532 T A 0.0000
533 G A -1.9168
534 D A -2.8904
535 A A -2.5093
536 I A 0.0000
537 D A -2.7496
538 K A -2.1344
539 L A 0.0000
540 T A -1.4550
541 V A 0.0000
542 K A -4.0864
543 E A -3.9332
544 G A -2.8431
545 E A -2.7143
546 K A -2.2853
547 V A 0.0000
548 K A 0.0000
549 L A 0.0000
550 R A 0.0000
551 L A 0.0000
552 I A 0.0000
553 N A 0.0000
554 A A 0.0000
555 G A 0.0000
556 Y A 0.0000
557 I A 0.3003
558 T A -0.0208
559 H A 0.0000
560 R A -0.5065
561 M A 0.0000
562 H A 0.0000
563 L A 0.0000
564 H A 0.0000
565 G A -0.7985
566 H A 0.0000
567 S A -0.7713
568 F A 0.0000
569 K A -0.1566
570 V A 0.0000
571 V A -0.1975
572 A A 0.0000
573 S A 0.0000
574 D A 0.0000
575 G A 0.0000
576 Q A -0.1320
577 P A -0.3648
578 V A 0.0000
579 N A -0.4850
580 A A -0.0410
581 P A 0.0703
582 A A 0.7108
583 V A 1.2932
584 I A -0.0138
585 K A -1.6831
586 D A -1.7245
587 Q A -1.6282
588 F A 0.0000
589 V A 0.0000
590 S A -0.6272
591 I A 0.0000
592 A A 0.0000
593 P A 0.0000
594 G A 0.0000
595 E A 0.0000
596 R A 0.0000
597 Y A 0.0000
598 D A 0.0000
599 I A 0.0000
600 E A -0.3896
601 F A 0.0000
602 T A -1.8665
603 A A 0.0000
604 E A -3.2221
605 H A -2.2376
606 P A -2.2321
607 G A 0.0000
608 T A 0.0000
609 W A -0.3054
610 L A 0.0000
611 L A 0.0000
612 E A 0.0000
613 E A 0.0000
614 H A 0.0000
615 A A -2.1175
616 K A -2.8505
617 D A -2.2880
618 N A -2.4416
619 R A -1.9092
620 A A 0.0000
621 Q A -1.7036
622 N A -1.6155
623 M A 0.0000
624 R A -1.3157
625 A A 0.0000
626 M A 0.0000
627 I A 0.0000
628 Q A -1.5271
629 Y A 0.0000
630 E A -3.1181
631 G A -1.9678
632 S A -1.9553
633 N A -2.1095
634 A A -1.5312
635 K A -2.0515
636 P A -1.0667
637 T A -0.6555
638 P A -0.7331
639 S A -0.9819
640 D A -1.8649
641 A A 0.0000
642 S A -2.5958
643 E A -3.2660
644 E A -3.1752
645 L A -1.6291
646 P A -1.4639
647 D A -1.6743
648 F A -1.6501
649 D A -2.5145
650 L A -1.6308
651 E A -2.2658
652 E A -2.7518
653 Y A 0.0000
654 G A -0.5286
655 S A -0.3343
656 M A 0.3181
657 S A 0.2050
658 A A 0.0919
659 S A 0.0693
660 A A -0.1068
661 F A 0.0000
662 T A -0.3703
663 L A -0.3861
664 D A -1.6196
665 Q A -1.0225
666 T A -1.2036
667 F A -1.8284
668 D A -2.9424
669 E A -2.8374
670 D A -2.4758
671 V A -0.8825
672 T A -0.4775
673 M A 0.0000
674 N A -0.7824
675 L A 0.0000
676 N A -1.1973
677 T A -0.5926
678 E A -0.4736
679 M A -0.0662
680 R A -1.2299
681 N A -1.8075
682 G A -1.5878
683 E A -1.2444
684 M A -0.4346
685 V A 0.0000
686 Y A 0.0000
687 T A 0.0000
688 I A 0.0000
689 N A -1.1923
690 G A -1.0427
691 K A -1.5442
692 V A -0.6411
693 F A -0.5147
694 P A -1.0580
695 D A -2.2158
696 T A 0.0000
697 D A -2.5837
698 T A -1.5830
699 I A 0.0000
700 K A -2.9625
701 V A 0.0000
702 K A -4.5306
703 K A -4.0722
704 G A -2.8100
705 D A -3.0321
706 K A -2.6019
707 V A 0.0000
708 K A -1.4721
709 V A 0.0000
710 T A -0.4756
711 F A 0.0000
712 V A -0.5719
713 N A 0.0000
714 Q A -1.7106
715 S A 0.0000
716 K A -1.9004
717 M A -0.5378
718 N A -0.8601
719 D A -1.1043
720 H A 0.0000
721 P A 0.0000
722 M A 0.0000
723 H A 0.0000
724 L A 0.0000
725 H A 0.0000
726 G A -0.3831
727 H A 0.0000
728 F A -0.0546
729 F A 0.0000
730 Q A 0.0000
731 V A 0.0000
732 L A 0.0000
733 S A 0.0000
734 K A -1.8492
735 N A -2.0996
736 G A -2.0056
737 K A -2.6786
738 P A -1.8007
739 V A -1.4654
740 Q A -1.9378
741 G A 0.0000
742 S A 0.0000
743 P A -0.3264
744 I A 0.0000
745 M A 0.2821
746 K A 0.0000
747 D A 0.0000
748 T A 0.0000
749 L A 0.0000
750 N A -0.5428
751 V A 0.0000
752 K A -1.6486
753 P A -1.5392
754 G A -1.4870
755 E A -1.3376
756 T A -1.2444
757 Y A 0.0000
758 E A -0.9493
759 V A 0.0000
760 A A 0.0000
761 F A 0.0000
762 E A -2.4346
763 A A 0.0000
764 D A -3.1166
765 N A -1.8806
766 P A -2.1167
767 G A 0.0000
768 E A -0.9108
769 W A 0.0000
770 M A 0.0000
771 F A 0.0000
772 H A 0.0000
773 C A 0.0000
774 H A 0.0000
775 D A 0.0000
776 L A 0.0000
777 H A 0.0000
778 H A 0.0000
779 A A 0.0000
780 S A -0.0194
781 A A 0.0000
782 G A 0.0000
783 M A 0.0000
784 V A 0.0000
785 T A 0.0000
786 D A -0.7742
787 V A 0.0000
788 M A -1.4881
789 Y A 0.0000
790 D A -3.8753
791 D A -3.7883
792 Y A -2.5659
793 Q A -2.3423
794 N A -1.7340
795 N A -1.7152
796 Y A -0.9370
797 T A -0.6545
798 P A -0.9768
799 D A -1.5931
800 P A -1.5416
801 N A -1.9472
802 V A -1.6204
803 N A -1.9052
804 N A -1.1501
805 V A -0.1205
806 P A -0.2007
807 E A -0.2249
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