Project name: d1379b6420aaf6f

Status: done

Started: 2026-04-11 13:03:50
Settings
Chain sequence(s) A: GCEAMELLVEAYE
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-1.3509
Maximal score value
1.866
Average score
0.1355
Total score value
1.7621

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 G A -0.6930
2 C A -0.2736
3 E A -1.2101
4 A A 0.0888
5 M A 0.7929
6 E A -0.4647
7 L A 1.3182
8 L A 1.8660
9 V A 1.2002
10 E A -0.6313
11 A A 0.3482
12 Y A 0.7714
13 E A -1.3509
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Laboratory of Theory of Biopolymers 2018