Project name: eaea20a8192e7a

Status: done

Started: 2025-07-15 04:54:00
Settings
Chain sequence(s) A: VTQVGF
B: VTQVGF
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
0.2142
Maximal score value
2.5924
Average score
1.4812
Total score value
17.7745

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 V B 2.0627
2 T B 0.5943
3 Q B 0.2142
4 V B 1.5727
5 G B 1.4482
6 F B 2.4561
1 V A 2.0673
2 T A 0.7119
3 Q A 0.5535
4 V A 1.8194
5 G A 1.6818
6 F A 2.5924
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Laboratory of Theory of Biopolymers 2018