Project name: 531070f614b664

Status: done

Started: 2026-03-05 11:38:26
Settings
Chain sequence(s) A: VQIINK
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
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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)                                                   (00:00:03)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.9089
Maximal score value
2.3423
Average score
0.6465
Total score value
3.8789

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
275 V A 1.8230
276 Q A 1.0487
277 I A 2.3423
278 I A 1.4259
279 N A -0.8521
280 K A -1.9089
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Laboratory of Theory of Biopolymers 2018