Project name: d22656a44070bb9

Status: done

Started: 2026-02-12 08:27:05
Settings
Chain sequence(s) A: GGGHKGG
B: GGGHKGG
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)
Show buried residues

Minimal score value
-3.653
Maximal score value
-1.1399
Average score
-2.328
Total score value
-32.5924

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 -1.1853
2 G A -1.6708
3 G A -2.5332
4 H A -3.2305
5 K A -3.6434
6 G A -2.4152
7 G A -1.5188
1 G B -1.1399
2 G B -1.7435
3 G B -2.4176
4 H B -3.3113
5 K B -3.6530
6 G B -2.6198
7 G B -1.5101
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Laboratory of Theory of Biopolymers 2018