Project name: a23255435ac4d8a

Status: done

Started: 2026-02-18 14:31:55
Chain sequence(s) A: LEHLSGAGKAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYEGYQGMVDGGSNIAEADWESVSSILQVGGTIIGSARCQAFRTREGRLKAACNLLQRGITNLCVIGGDGSLTGANLFRKEWSGLLEELARNGQIDKEAVQKYAYLNVVGMVGSIDNDFCGTDMTIGTDSALHRIIEVVDAIMTTAQSHQRTFVLEVMGRHCGYLALVSALACGADWVFLPESPPEEGWEEQMCVKLSENRARKKRLNIIIVAEGAIDTQNKPITSEKIKELVVTQLGYDTRVTILGHVQRGGTPSAFDRILASRMGVEAVIALLEATPDTPACVVSLNGNHAVRLPLMECVQMTQDVQKAMDERRFQDAVRLRGRSFAGNLNTYKRLAIKLPDDQIPKTNCNVAVINVGAPAAGMNAAVRSAVRVGIADGHRMLAIYDGFDGFAKGQIKEIGWTDVGGWTGQGGSILGTKRVLPGKYLEEIATQMRTHSINALLIIGGFEAYLGLLELSAAREKHEEFCVPMVMVPATVSNNVPGSDFSIGADTALNTITDTCDRIKQKRRVFIIETMGGYCGYLANMGGLAAGADAAYIFEEPFDIRDLQSNVEHLTEKMKTTIQRGLVLRNESCSENYTTDFIYQLYSEEGKGVFDCRKNVLGHMQQGGAPSPFDRNFGTKISARAMEWITAKLKEAKFTTDDSICVLGISKRNVIFQPVAELKKQTDFEHRIPKEQWWLKLRPLMKILAK
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:04)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-4.3926
Maximal score value
1.6607
Average score
-0.7717
Total score value
-568.774

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
17 L A 0.8831
18 E A -0.9715
19 H A -0.7605
20 L A 0.7030
21 S A 0.1205
22 G A -0.2944
23 A A -0.4798
24 G A -1.2167
25 K A -1.4554
26 A A 0.0000
27 I A 0.0000
28 G A 0.0000
29 V A 0.0000
30 L A 0.0000
31 T A 0.0000
32 S A 0.0000
33 G A -0.9183
34 G A -0.7930
35 D A -0.9217
36 A A 0.0000
37 Q A 0.0000
38 G A 0.0000
39 M A 0.0000
40 N A 0.0000
41 A A 0.0000
42 A A 0.0000
43 V A 0.0000
44 R A 0.0000
45 A A 0.0000
46 V A 0.0000
47 V A 0.0000
48 R A 0.0000
49 M A 0.0000
50 G A 0.0000
51 I A 0.2297
52 Y A 0.5189
53 V A 0.0000
54 G A -0.5037
55 A A -0.9916
56 K A -2.1492
57 V A 0.0000
58 Y A 0.0000
59 F A 0.0000
60 I A 0.0000
61 Y A -0.1241
62 E A -1.1463
63 G A 0.0000
64 Y A 0.0000
65 Q A -1.4978
66 G A 0.0000
67 M A 0.0000
68 V A -1.4399
69 D A -2.2981
70 G A -1.6445
71 G A -1.2625
72 S A -0.7608
73 N A -0.8943
74 I A 0.0000
75 A A -1.0920
76 E A -2.2746
77 A A 0.0000
78 D A -2.2952
79 W A -0.9088
80 E A -1.5272
81 S A -1.2543
82 V A 0.0000
83 S A -0.6134
84 S A -0.2655
85 I A 0.0000
86 L A 0.0000
87 Q A -0.0083
88 V A 0.8686
89 G A 0.1681
90 G A -0.0700
91 T A 0.4113
92 I A 1.2175
93 I A 0.0000
94 G A 0.0065
95 S A -0.7802
96 A A -1.4677
97 R A -2.3368
98 C A -1.9594
99 Q A -2.2461
100 A A -2.1341
101 F A 0.0000
102 R A -2.6605
103 T A -2.2683
104 R A -2.5984
105 E A -2.8075
106 G A -2.3306
107 R A 0.0000
108 L A -1.3789
109 K A -2.0435
110 A A 0.0000
111 A A 0.0000
112 C A 0.0000
113 N A -1.3453
114 L A 0.0000
115 L A 0.0000
116 Q A -1.8385
117 R A -1.5748
118 G A -1.2909
119 I A 0.0000
120 T A -0.1654
121 N A 0.0000
122 L A 0.0000
123 C A 0.0000
124 V A 0.0000
125 I A 0.0000
126 G A 0.0000
127 G A -0.8013
128 D A -1.3685
129 G A -0.9403
130 S A -0.8451
131 L A 0.0000
132 T A -0.1222
133 G A -0.5531
134 A A 0.0000
135 N A -0.2859
136 L A -0.3622
137 F A 0.0000
138 R A -0.9332
139 K A -1.7336
140 E A -1.5499
141 W A 0.0000
142 S A -1.1227
143 G A -1.3956
144 L A 0.0000
145 L A 0.0000
146 E A -3.0184
147 E A -2.5763
148 L A 0.0000
149 A A -3.5153
150 R A -3.6851
151 N A -3.1001
152 G A -3.2823
153 Q A -2.7261
154 I A -2.7615
155 D A -3.5406
156 K A -4.3926
157 E A -3.7740
158 A A -2.8664
159 V A -2.6123
160 Q A -2.3900
161 K A -2.4823
162 Y A -0.7971
163 A A -0.3903
164 Y A 0.3610
165 L A 0.0000
166 N A -0.5156
167 V A 0.0000
168 V A 0.0000
169 G A 0.0000
170 M A 0.0000
171 V A 0.0000
172 G A 0.0000
173 S A -0.5063
174 I A 0.0000
175 D A -0.8132
176 N A 0.0000
177 D A 0.0000
178 F A 0.0000
179 C A -0.6367
180 G A -0.6827
181 T A 0.0000
182 D A -2.0787
183 M A -0.7856
184 T A 0.0000
185 I A 0.0000
186 G A 0.0000
187 T A 0.0000
188 D A 0.0000
189 S A 0.0000
190 A A 0.0000
191 L A 0.0000
192 H A -0.4569
193 R A -0.4875
194 I A 0.0000
195 I A 0.0000
196 E A -1.0558
197 V A 0.1087
198 V A 0.0000
199 D A -0.6529
200 A A -0.0551
201 I A 0.2129
202 M A -0.1361
203 T A -0.5485
204 T A -0.6845
205 A A 0.0000
206 Q A -2.0081
207 S A -1.7414
208 H A -2.2633
209 Q A -2.9513
210 R A -2.0721
211 T A 0.0000
212 F A 0.0000
213 V A 0.0000
214 L A 0.0000
215 E A 0.3226
216 V A 0.0000
217 M A -0.5813
218 G A 0.0000
219 R A -2.4879
220 H A -1.8999
221 C A 0.0000
222 G A 0.0000
223 Y A -0.0033
224 L A 0.0000
225 A A 0.0000
226 L A 0.0000
227 V A 0.0000
228 S A 0.0000
229 A A 0.0000
230 L A 0.0000
231 A A 0.0000
232 C A 0.0000
233 G A -0.1766
234 A A 0.0000
235 D A 0.0000
236 W A 0.1059
237 V A 0.1281
238 F A 0.0000
239 L A 0.0000
240 P A 0.0000
241 E A 0.0000
242 S A -0.7583
243 P A -1.1770
244 P A -1.8111
245 E A -3.1498
246 E A -3.5256
247 G A -2.8745
248 W A 0.0000
249 E A -2.6954
250 E A -2.9367
251 Q A -2.4982
252 M A 0.0000
253 C A 0.0000
254 V A -0.1824
255 K A 0.0000
256 L A 0.0000
257 S A -0.4032
258 E A -1.2555
259 N A 0.0000
260 R A -2.0522
261 A A -1.5452
262 R A -2.0194
263 K A -2.9190
264 K A -2.7205
265 R A -2.9979
266 L A 0.0000
267 N A 0.0000
268 I A 0.0000
269 I A 0.0000
270 I A 0.0000
271 V A 0.0000
272 A A 0.0000
273 E A -1.1537
274 G A -1.4033
275 A A 0.0000
276 I A -0.9797
277 D A -1.9047
278 T A -2.1300
279 Q A -2.6316
280 N A -2.6803
281 K A -2.3368
282 P A -1.4770
283 I A 0.0000
284 T A -1.2910
285 S A 0.0000
286 E A -2.8980
287 K A -2.2713
288 I A 0.0000
289 K A -2.3253
290 E A -2.5113
291 L A -1.6435
292 V A 0.0000
293 V A -0.2317
294 T A -0.5504
295 Q A -1.0837
296 L A -0.0964
297 G A -0.3899
298 Y A -0.6202
299 D A -1.4260
300 T A 0.0000
301 R A -1.8383
302 V A -0.6379
303 T A 0.3727
304 I A 1.6607
305 L A 0.0000
306 G A 0.1690
307 H A -0.4542
308 V A 0.4228
309 Q A 0.0000
310 R A -0.6899
311 G A -0.4232
312 G A -0.3516
313 T A -0.2454
314 P A 0.0000
315 S A 0.0000
316 A A 0.0000
317 F A 0.3131
318 D A 0.0000
319 R A 0.0000
320 I A 0.0000
321 L A 0.0000
322 A A 0.0000
323 S A 0.0000
324 R A -0.2691
325 M A 0.0000
326 G A 0.0000
327 V A 0.0975
328 E A -0.1397
329 A A 0.0000
330 V A 0.0000
331 I A 0.2235
332 A A 0.0000
333 L A 0.0000
334 L A -0.5906
335 E A -1.4287
336 A A -1.1358
337 T A -0.9930
338 P A -0.7913
339 D A -1.8093
340 T A -1.3103
341 P A -0.7817
342 A A 0.0000
343 C A 0.0000
344 V A 0.0000
345 V A 0.0000
346 S A 0.0000
347 L A -0.5975
348 N A -1.5120
349 G A -2.4010
350 N A 0.0000
351 H A -1.3595
352 A A -0.3019
353 V A 0.2634
354 R A -0.1023
355 L A 0.0439
356 P A -0.2640
357 L A 0.0000
358 M A 0.0353
359 E A -1.3133
360 C A 0.0000
361 V A -1.0232
362 Q A -1.7225
363 M A -0.9372
364 T A 0.0000
365 Q A -2.1216
366 D A -2.0280
367 V A 0.0000
368 Q A -2.3400
369 K A -3.3651
370 A A 0.0000
371 M A 0.0000
372 D A -3.9223
373 E A -3.8640
374 R A -3.8588
375 R A -3.0894
376 F A -2.4359
377 Q A -2.3699
378 D A -2.4791
379 A A 0.0000
380 V A -1.6680
381 R A -2.7881
382 L A -1.3136
383 R A 0.0000
384 G A -1.8696
385 R A -2.6851
386 S A -1.9440
387 F A 0.0000
388 A A -1.4489
389 G A -1.4425
390 N A 0.0000
391 L A -0.8745
392 N A -1.8682
393 T A 0.0000
394 Y A 0.0000
395 K A -2.0926
396 R A -1.4956
397 L A 0.0000
398 A A -0.5078
399 I A -0.0585
400 K A -0.5294
401 L A -0.3799
402 P A -1.6809
403 D A -3.1464
404 D A -3.4131
405 Q A -2.7229
406 I A -2.0288
407 P A -2.0891
408 K A -2.8787
409 T A -1.8041
410 N A -1.9721
411 C A -1.3009
412 N A -1.1414
413 V A 0.0000
414 A A 0.0000
415 V A 0.0000
416 I A 0.0000
417 N A 0.0000
418 V A 0.0000
419 G A 0.0000
420 A A -0.7646
421 P A -0.5119
422 A A 0.0000
423 A A 0.0000
424 G A 0.0000
425 M A 0.0000
426 N A 0.0000
427 A A 0.0000
428 A A 0.0000
429 V A 0.0000
430 R A 0.0000
431 S A 0.0000
432 A A 0.0000
433 V A 0.0000
434 R A -0.3468
435 V A 0.0000
436 G A 0.0000
437 I A -0.4565
438 A A -0.6236
439 D A -0.7630
440 G A 0.0000
441 H A 0.0000
442 R A -1.4556
443 M A 0.0000
444 L A 0.0000
445 A A 0.0000
446 I A 0.0000
447 Y A -0.6942
448 D A -1.1500
449 G A 0.0000
450 F A 0.0000
451 D A -1.0888
452 G A 0.0000
453 F A 0.0000
454 A A -1.7339
455 K A -2.3064
456 G A -1.8804
457 Q A -1.8096
458 I A -1.6393
459 K A -2.3969
460 E A -2.2486
461 I A 0.0000
462 G A -1.0862
463 W A 0.0000
464 T A -1.2426
465 D A -1.3275
466 V A 0.0000
467 G A -0.9413
468 G A -0.9603
469 W A -0.6085
470 T A 0.0000
471 G A -0.8722
472 Q A -1.2904
473 G A -0.7908
474 G A -0.4455
475 S A 0.0612
476 I A 0.7346
477 L A 0.0000
478 G A -0.1770
479 T A -0.8585
480 K A -1.5564
481 R A -1.8315
482 V A -0.3915
483 L A 0.1880
484 P A 0.0000
485 G A -0.6329
486 K A -1.4852
487 Y A -0.7862
488 L A -1.0378
489 E A -2.3725
490 E A -2.4517
491 I A 0.0000
492 A A 0.0000
493 T A -1.7470
494 Q A -1.8541
495 M A 0.0000
496 R A -2.4278
497 T A -1.2320
498 H A -1.4668
499 S A -1.2110
500 I A 0.0000
501 N A -0.6174
502 A A 0.0000
503 L A 0.0000
504 L A 0.0000
505 I A 0.0000
506 I A 0.0000
507 G A 0.0000
508 G A 0.0000
509 F A 0.0000
510 E A 0.0000
511 A A 0.0000
512 Y A 0.0000
513 L A 0.0975
514 G A 0.0000
515 L A 0.0000
516 L A -0.2911
517 E A -0.3770
518 L A 0.0000
519 S A -0.6877
520 A A -0.9164
521 A A 0.0000
522 R A 0.0000
523 E A -3.0142
524 K A -3.0439
525 H A -2.6112
526 E A -2.9604
527 E A 0.0000
528 F A 0.0000
529 C A -1.1757
530 V A -0.3707
531 P A 0.0000
532 M A 0.0000
533 V A 0.0000
534 M A 0.0000
535 V A 0.0000
536 P A 0.0000
537 A A 0.0000
538 T A 0.0000
539 V A 0.0000
540 S A 0.0000
541 N A 0.0000
542 N A 0.0000
543 V A 0.0000
544 P A 0.0000
545 G A -0.2851
546 S A 0.0518
547 D A -0.3041
548 F A 0.2196
549 S A 0.0000
550 I A 0.0000
551 G A 0.0000
552 A A 0.0000
553 D A 0.0000
554 T A 0.0000
555 A A 0.0000
556 L A 0.0000
557 N A -0.3333
558 T A -0.3510
559 I A 0.0000
560 T A 0.0000
561 D A -1.3269
562 T A -1.1215
563 C A 0.0000
564 D A -1.6790
565 R A -2.5061
566 I A -1.3127
567 K A -1.6126
568 Q A -1.9901
574 K A -2.6027
575 R A -2.6796
576 R A -2.4127
577 V A 0.0000
578 F A -0.7704
579 I A 0.0000
580 I A 0.0000
581 E A -0.1362
582 T A 0.0000
583 M A -0.1745
584 G A 0.0000
585 G A -0.2066
586 Y A -0.0019
587 C A 0.0000
588 G A 0.0000
589 Y A 0.0000
590 L A 0.0000
591 A A 0.0000
592 N A 0.0000
593 M A 0.0000
594 G A 0.0000
595 G A 0.0000
596 L A 0.0000
597 A A 0.0000
598 A A 0.0000
599 G A -0.3271
600 A A 0.0000
601 D A 0.0000
602 A A 0.0000
603 A A 0.0000
604 Y A 0.0000
605 I A 0.0000
606 F A -0.0624
607 E A -0.3962
608 E A -0.5356
609 P A -0.8052
610 F A -1.1826
611 D A -1.8856
612 I A -1.2299
613 R A -2.9526
614 D A -3.0302
615 L A 0.0000
616 Q A -2.5392
617 S A -2.1819
618 N A -1.9967
619 V A 0.0000
620 E A -2.8046
621 H A -2.1729
622 L A 0.0000
623 T A -2.2650
624 E A -2.9721
625 K A -2.3506
626 M A 0.0000
627 K A -2.4659
628 T A -1.5419
629 T A -1.0721
630 I A -1.1019
631 Q A -2.1405
632 R A -1.7629
633 G A 0.0000
634 L A 0.0000
635 V A 0.0000
636 L A 0.0000
637 R A 0.0000
638 N A 0.0000
639 E A -0.4517
640 S A -0.7829
641 C A 0.0000
642 S A -1.2595
643 E A -2.3795
644 N A -2.0982
645 Y A -0.9965
646 T A -1.1421
647 T A 0.0000
648 D A -1.5959
649 F A -0.4109
650 I A 0.0000
651 Y A -1.3024
652 Q A -1.9436
653 L A -1.4265
654 Y A 0.0000
655 S A -2.4697
656 E A -3.4759
657 E A -3.2732
658 G A 0.0000
659 K A -3.0320
660 G A -1.7720
661 V A -1.4380
662 F A 0.0000
663 D A -2.4602
664 C A 0.0000
665 R A -2.2162
666 K A -1.4539
667 N A -0.4598
668 V A 0.9594
669 L A 0.0000
670 G A -0.1907
671 H A -0.7151
672 M A -0.0925
673 Q A 0.0000
674 Q A -0.5366
675 G A -0.7597
676 G A -0.7220
677 A A -0.8347
678 P A 0.0000
679 S A 0.0000
680 P A 0.0000
681 F A 0.4280
682 D A 0.0000
683 R A 0.0000
684 N A 0.0000
685 F A 0.0000
686 G A 0.0000
687 T A 0.0000
688 K A -0.7160
689 I A 0.0000
690 S A 0.0000
691 A A 0.0000
692 R A -1.2644
693 A A 0.0000
694 M A 0.0000
695 E A -1.2676
696 W A -0.5967
697 I A 0.0000
698 T A -1.2274
699 A A -1.2514
700 K A -1.4541
701 L A -1.4408
702 K A -2.4688
703 E A -2.8075
704 A A -1.6027
710 K A -1.8682
711 F A -1.0070
712 T A -1.0364
713 T A -1.0571
714 D A -1.8256
715 D A -1.8163
716 S A 0.0000
717 I A 0.0000
718 C A 0.0000
719 V A 0.0000
720 L A 0.0000
721 G A 0.0000
722 I A -0.4572
723 S A -1.1864
724 K A -2.9809
725 R A -3.3960
726 N A -2.2855
727 V A 0.0000
728 I A 1.1287
729 F A 1.0719
730 Q A -0.2206
731 P A -1.2335
732 V A 0.0000
733 A A -2.0536
734 E A -3.1874
735 L A 0.0000
736 K A -3.3182
737 K A -3.4929
738 Q A -3.1928
739 T A 0.0000
740 D A -2.2429
741 F A -1.2612
742 E A -1.8023
743 H A -1.2985
744 R A -1.3023
745 I A 0.0000
746 P A -2.1894
747 K A -3.4249
748 E A -2.8049
749 Q A -1.6517
750 W A -0.9817
751 W A 0.0000
752 L A -0.7236
753 K A -1.4643
754 L A 0.0000
755 R A 0.0000
756 P A -1.0017
757 L A -0.7062
758 M A 0.0000
759 K A -1.1159
760 I A -0.6143
761 L A 0.0000
762 A A -1.0730
763 K A -1.7489
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