Project name: 18ea9086f6108ce

Status: done

Started: 2026-02-25 23:09:53
Settings
Chain sequence(s) A: KFFEAAAKKFFE
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-2.0608
Maximal score value
1.6762
Average score
-0.0247
Total score value
-0.2966

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 -0.3309
2 F A 1.6762
3 F A 1.6267
4 E A -0.3950
5 A A -0.3610
6 A A -0.6661
7 A A -1.1113
8 K A -2.0608
9 K A -1.1377
10 F A 1.2773
11 F A 1.6229
12 E A -0.4369
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Laboratory of Theory of Biopolymers 2018