Project name: 841b78640597562

Status: done

Started: 2026-02-08 09:22:30
Settings
Chain sequence(s) L: CGPGPPCDWGTSPDWC
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.6525
Maximal score value
1.1079
Average score
-0.147
Total score value
-2.3515

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
205 C L 0.8713
206 G L -0.2915
207 P L -0.4011
208 G L -0.5962
209 P L -0.3865
210 P L -0.1693
211 C L 0.3572
212 D L -1.4415
213 W L 0.7811
214 G L -0.2659
215 T L -0.1921
216 S L -0.2595
217 P L -0.6093
218 D L -1.6525
219 W L 0.7964
220 C L 1.1079
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Laboratory of Theory of Biopolymers 2018