Project name: FFKGHFG2

Status: done

Started: 2026-02-13 12:25:55
Settings
Chain sequence(s) A: FFKGHFG
B: FFKGHFG
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)
Show buried residues

Minimal score value
-0.8463
Maximal score value
2.6325
Average score
0.9069
Total score value
12.6965

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 2.4078
2 F A 1.5047
3 K A -0.8463
4 G A -0.3959
5 H A -0.0460
6 F A 1.7020
7 G A 1.7394
1 F B 2.6325
2 F B 1.9452
3 K B -0.7122
4 G B -0.6917
5 H B 0.2239
6 F B 1.8286
7 G B 1.4045
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Laboratory of Theory of Biopolymers 2018