Project name: 70accfd4985b756

Status: done

Started: 2026-01-14 16:59:06
Settings
Chain sequence(s) A: LKKHSGPGPGSL
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]                                                (00:00:02)
[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 A 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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-2.7463
Maximal score value
-0.391
Average score
-1.4547
Total score value
-16.0022

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 L A -0.3910
2 K A -2.4997
3 K A -2.7463
4 H A -2.0884
5 S A -1.5349
6 G A -1.6143
7 P A -1.2049
8 G A -1.1971
9 P A -0.9817
10 G A -1.0060
11 S A -0.7379
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Laboratory of Theory of Biopolymers 2018