Project name: b2e16072a4eb4a2

Status: done

Started: 2025-12-09 12:24:49
Settings
Chain sequence(s) L: KEINPWFTD
input PDB
Selected Chain(s) L
Distance of aggregation 5 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 L 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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-2.0292
Maximal score value
2.1425
Average score
-0.1188
Total score value
-1.0692

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
2 K L -2.0292
3 E L -1.8333
4 I L 1.6020
5 N L -0.3027
6 P L -0.2978
7 W L 1.4908
8 F L 2.1425
9 T L -0.0393
10 D L -1.8022
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Laboratory of Theory of Biopolymers 2018