Project name: 90209412b2f7015

Status: done

Started: 2026-04-11 13:10:20
Settings
Chain sequence(s) A: GCLAMELLVQAYE
input PDB
Selected Chain(s) A
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.4485
Maximal score value
2.1922
Average score
0.7358
Total score value
9.565

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 G A 0.2681
2 C A 1.3821
3 L A 2.1922
4 A A 1.4827
5 M A 1.5004
6 E A -0.1307
7 L A 1.4066
8 L A 2.0336
9 V A 0.8244
10 Q A -0.5369
11 A A 0.1541
12 Y A 0.4369
13 E A -1.4485
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Laboratory of Theory of Biopolymers 2018