Project name: fa457fc0348b989

Status: done

Started: 2026-02-12 13:39:58
Settings
Chain sequence(s) A: FGKGHGF
B: FGKGHGF
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]                                                (00:00:00)
[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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-2.4251
Maximal score value
2.1762
Average score
-0.3678
Total score value
-5.1486

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 1.5137
2 G A -0.4031
3 K A -2.1129
4 G A -2.1401
5 H A -1.4582
6 G A 0.4166
7 F A 2.1762
1 F B 1.1924
2 G B -0.7939
3 K B -2.2973
4 G B -2.4251
5 H B -1.2355
6 G B 0.2870
7 F B 2.1316
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Laboratory of Theory of Biopolymers 2018