Project name: FEFEFKFK_2

Status: done

Started: 2026-06-26 02:10:26
Settings
Chain sequence(s) A: FEFEFKFK
B: FEFEFKFK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-1.5246
Maximal score value
1.3343
Average score
-0.3143
Total score value
-5.0284

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 1.3343
2 E A -0.5336
3 F A 0.5433
4 E A -0.9847
5 F A 0.1778
6 K A -0.9770
7 F A 0.3876
8 K A -1.0600
1 F B 1.1876
2 E B -0.8455
3 F B -0.0222
4 E B -1.5246
5 F B -0.5477
6 K B -1.2956
7 F B 0.2610
8 K B -1.1291
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Laboratory of Theory of Biopolymers 2018