Project name: 6e0ba2af5df765a

Status: done

Started: 2026-02-11 07:11:52
Settings
Chain sequence(s) A: GKGHKGH
B: GKGHKGH
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)
Show buried residues

Minimal score value
-3.8139
Maximal score value
-2.003
Average score
-3.0352
Total score value
-42.4929

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 -2.1456
2 K A -3.3073
3 G A -3.3295
4 H A -3.4742
5 K A -3.7739
6 G A -2.8110
7 H A -2.2690
1 G B -2.0030
2 K B -3.3321
3 G B -3.2527
4 H B -3.6992
5 K B -3.8139
6 G B -2.9628
7 H B -2.3187
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Laboratory of Theory of Biopolymers 2018