Project name: 62e816bd53f6a77

Status: done

Started: 2026-05-21 15:43:08
Settings
Chain sequence(s) A: KGHKGHG
B: KGHKGHG
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-3.7002
Maximal score value
-1.5089
Average score
-2.9563
Total score value
-41.3887

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 K A -3.0646
2 G A -3.3113
3 H A -3.6836
4 K A -3.6614
5 G A -2.8036
6 H A -2.5793
7 G A -1.5102
1 K B -3.0620
2 G B -3.3067
3 H B -3.7002
4 K B -3.6938
5 G B -2.8951
6 H B -2.6080
7 G B -1.5089
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Laboratory of Theory of Biopolymers 2018