Project name: FGGHKFG2

Status: done

Started: 2026-05-21 14:12:57
Settings
Chain sequence(s) A: FGGHKFG
B: FGGHKFG
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-1.4832
Maximal score value
2.0651
Average score
-0.0347
Total score value
-0.4859

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 0.9681
2 G A -0.4600
3 G A -0.9495
4 H A -0.5945
5 K A -1.0806
6 F A 1.0396
7 G A 0.0914
1 F B 2.0651
2 G B 0.5434
3 G B -0.1515
4 H B -0.9894
5 K B -1.4832
6 F B 0.5330
7 G B -0.0178
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Laboratory of Theory of Biopolymers 2018