Project name: c46ff47f7dbecc9

Status: done

Started: 2026-02-08 09:20:25
Settings
Chain sequence(s) L: CWPTHDGGAAAC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-2.0442
Maximal score value
1.2827
Average score
-0.1316
Total score value
-1.5791

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
213 C L 1.0514
214 W L 1.2827
215 P L -0.0497
216 T L -0.2963
217 H L -1.3514
218 D L -2.0442
219 G L -0.7514
220 G L -0.5180
221 A L -0.0161
222 A L 0.0797
223 A L 0.2033
224 C L 0.8309
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Laboratory of Theory of Biopolymers 2018