Project name: 69c60f536c25379

Status: done

Started: 2026-05-21 12:24:57
Settings
Chain sequence(s) A: FKGH
C: FKGH
B: FKGH
D: FKGH
input PDB
Selected Chain(s) A,C,B,D
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 all 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)
Show buried residues

Minimal score value
-2.1888
Maximal score value
2.2131
Average score
-0.466
Total score value
-7.4561

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 1.5616
2 K A -0.9191
3 G A -1.0636
4 H A -1.8651
1 F B 2.1509
2 K B -0.3133
3 G B -1.0169
4 H B -2.1327
1 F C 2.2131
2 K C -0.2922
3 G C -1.0470
4 H C -2.1888
1 F D 1.6189
2 K D -0.8508
3 G D -1.3515
4 H D -1.9596
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Laboratory of Theory of Biopolymers 2018