Project name: 97764c74cdb6430

Status: done

Started: 2026-02-12 15:24:43
Settings
Chain sequence(s) A: FFKGHFG
C: FFKGHFG
B: FFKGHFG
D: FFKGHFG
input PDB
Selected Chain(s) A,C,B,D
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)
Show buried residues

Minimal score value
-0.9861
Maximal score value
3.0936
Average score
0.5846
Total score value
16.3687

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 3.0585
2 F A 2.0587
3 K A -0.6140
4 G A -0.6794
5 H A -0.7344
6 F A 1.0930
7 G A 0.0682
1 F B 3.0147
2 F B 2.0581
3 K B 0.1488
4 G B 0.0000
5 H B -0.9861
6 F B 0.0389
7 G B -0.4824
1 F C 2.9847
2 F C 1.9839
3 K C 0.1809
4 G C 0.0000
5 H C -0.8322
6 F C 0.0342
7 G C -0.4711
1 F D 3.0936
2 F D 2.1562
3 K D -0.5506
4 G D -0.6431
5 H D -0.7320
6 F D 1.0634
7 G D 0.0582
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Laboratory of Theory of Biopolymers 2018