Project name: FEFEFEGGKGH2

Status: done

Started: 2026-02-10 02:37:04
Settings
Chain sequence(s) A: FEFEFEGGKGH
B: FEFEFEGGKGH
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-2.8583
Maximal score value
2.0921
Average score
-0.8105
Total score value
-17.8303

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 2.0921
2 E A 0.0793
3 F A 1.8830
4 E A -0.2494
5 F A 1.6450
6 E A -1.1406
7 G A -2.0382
8 G A -2.1435
9 K A -2.5793
10 G A -2.5424
11 H A -1.5908
1 F B 1.4458
2 E B -0.9140
3 F B 0.6978
4 E B -1.1753
5 F B 1.0940
6 E B -1.5595
7 G B -1.9295
8 G B -2.2219
9 K B -2.8583
10 G B -1.9930
11 H B -1.8316
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Laboratory of Theory of Biopolymers 2018