Project name: 1eb372442617c1

Status: done

Started: 2026-02-12 13:18:15
Settings
Chain sequence(s) A: FKFEKGH
B: FKFEKGH
input PDB
Selected Chain(s) A,B
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)
Show buried residues

Minimal score value
-3.6315
Maximal score value
1.9885
Average score
-1.5877
Total score value
-22.2283

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 F A 1.8755
2 K A -0.5379
3 F A -0.8772
4 E A -3.4599
5 K A -3.6315
6 G A -3.1836
7 H A -2.3124
1 F B 1.9885
2 K B -0.1365
3 F B -0.0674
4 E B -2.9380
5 K B -3.5965
6 G B -3.1129
7 H B -2.2385
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Laboratory of Theory of Biopolymers 2018