Project name: 5cab593dad6f1f7

Status: done

Started: 2026-02-12 08:43:43
Settings
Chain sequence(s) A: GGGHKGF
B: GGGHKGF
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-3.0808
Maximal score value
1.2925
Average score
-1.5036
Total score value
-21.0498

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 -1.1095
2 G A -1.7223
3 G A -2.4274
4 H A -3.0808
5 K A -2.6431
6 G A -0.8974
7 F A 1.2389
1 G B -1.1421
2 G B -1.5593
3 G B -2.4813
4 H B -3.0603
5 K B -2.6143
6 G B -0.8434
7 F B 1.2925
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Laboratory of Theory of Biopolymers 2018