Project name: 9757434e31bbd8

Status: done

Started: 2026-06-04 00:11:40
Settings
Chain sequence(s) A: MNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQ
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-3.5915
Maximal score value
2.379
Average score
-0.3709
Total score value
-18.5471

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
311 M A 0.8354
312 N A 0.0874
313 F A 1.5763
314 G A 1.1797
315 A A 1.4290
316 F A 2.3790
317 S A 1.5758
318 I A 1.7538
319 N A -0.0204
320 P A 0.1949
321 A A 0.4813
322 M A 1.1459
323 M A 0.9807
324 A A 0.4880
325 A A 0.5170
326 A A 0.5331
327 Q A 0.0314
328 A A 0.0948
329 A A 0.3474
330 L A 1.0773
331 Q A -0.0765
332 S A 0.2083
333 S A 0.5938
334 W A 1.3770
335 G A 0.7792
336 M A 1.5892
337 M A 1.5689
338 G A 0.6935
339 M A 1.0102
340 L A 0.3689
341 A A -0.5588
342 S A -0.9285
343 Q A -1.9863
344 Q A -2.8085
345 N A -2.7187
346 Q A -2.5991
347 S A -2.2639
348 G A -1.6498
349 P A -1.4884
350 S A -1.3442
351 G A -2.2290
352 N A -3.1878
353 N A -3.0958
354 Q A -3.5915
355 N A -3.1849
356 Q A -3.0768
357 G A -2.6557
358 N A -2.1556
359 M A -0.4648
360 Q A -1.3593
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Laboratory of Theory of Biopolymers 2018