Project name: 668f067afbc586b

Status: done

Started: 2026-06-27 15:37:37
Settings
Chain sequence(s) A: KLVFFAE
B: KLVFFAE
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)
Show buried residues

Minimal score value
-1.717
Maximal score value
4.6625
Average score
1.4314
Total score value
20.0402

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 -1.2288
2 L A 1.7695
3 V A 3.1947
4 F A 4.6405
5 F A 2.6447
6 A A 0.6198
7 E A -1.7170
1 K B -1.2247
2 L B 1.7706
3 V B 3.2139
4 F B 4.6625
5 F B 2.7338
6 A B 0.6641
7 E B -1.7034
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Laboratory of Theory of Biopolymers 2018