Project name: a67d650bd51ddde

Status: done

Started: 2026-01-21 15:41:16
Settings
Chain sequence(s) L: PLDDEEAFEKQVTS
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-2.4834
Maximal score value
1.6124
Average score
-0.6962
Total score value
-9.747

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
203 P L 0.0294
204 L L 1.1719
205 D L -1.8352
206 D L -2.4543
207 E L -2.4834
208 E L -2.1490
209 A L 0.0526
210 F L 1.6124
211 E L -1.7767
212 K L -2.2551
213 Q L -1.1862
214 V L 1.5409
215 T L 0.2116
216 S L -0.2259
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Laboratory of Theory of Biopolymers 2018