Project name: 832f00b8825de33

Status: done

Started: 2026-02-23 15:11:51
Settings
Chain sequence(s) A: FEFEFEGSKGH
B: FEFEFEGSKGH
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)
Show buried residues

Minimal score value
-3.3702
Maximal score value
1.7403
Average score
-1.4273
Total score value
-31.3996

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 1.7239
2 E A -0.8178
3 F A 0.3625
4 E A -1.5960
5 F A 0.0446
6 E A -2.1652
7 G A -1.9852
8 S A -2.6517
9 K A -3.3702
10 G A -2.6413
11 H A -2.4144
1 F B 1.7403
2 E B -0.8210
3 F B 0.1795
4 E B -1.7225
5 F B -0.1912
6 E B -2.1725
7 G B -1.7439
8 S B -2.7389
9 K B -3.2949
10 G B -2.6365
11 H B -2.4872
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Laboratory of Theory of Biopolymers 2018