Project name: f362643a0c4f652

Status: done

Started: 2026-02-23 15:26:03
Settings
Chain sequence(s) A: FKFKGHFKF
B: FKFKGHFKF
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)
Show buried residues

Minimal score value
-2.7318
Maximal score value
1.9053
Average score
-0.544
Total score value
-9.7925

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 1.9053
2 K A -0.4384
3 F A 0.0967
4 K A -2.4531
5 G A -1.9270
6 H A -2.1428
7 F A -0.2354
8 K A -0.5914
9 F A 1.7258
1 F B 1.8114
2 K B -0.7602
3 F B -0.7146
4 K B -2.7318
5 G B -1.7316
6 H B -2.1839
7 F B -0.4828
8 K B -0.6418
9 F B 1.7031
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018