Project name: c50449eb44caa29

Status: done

Started: 2026-05-21 14:26:17
Settings
Chain sequence(s) A: FFGHKFG
B: FFGHKFG
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)
Show buried residues

Minimal score value
-1.3883
Maximal score value
3.704
Average score
1.067
Total score value
14.9375

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 3.6556
2 F A 3.4047
3 G A 0.8478
4 H A 0.0978
5 K A -1.3325
6 F A 0.6981
7 G A 0.2387
1 F B 3.7040
2 F B 3.3508
3 G B 0.8326
4 H B 0.1399
5 K B -1.3883
6 F B 0.6136
7 G B 0.0747
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Laboratory of Theory of Biopolymers 2018