Project name: d9dd61576672e55

Status: done

Started: 2026-02-08 09:22:40
Settings
Chain sequence(s) L: CMYHGNWPVVAGAPDC
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-1.7025
Maximal score value
1.9333
Average score
0.1805
Total score value
2.8882

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 0.8933
206 M L 0.7886
207 Y L 1.2137
208 H L -0.8401
209 G L -0.8811
210 N L -1.1441
211 W L 0.9089
212 P L 0.2967
213 V L 1.9333
214 V L 1.4689
215 A L 0.3066
216 G L -0.2442
217 A L -0.0354
218 P L -0.5673
219 D L -1.7025
220 C L 0.4929
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Laboratory of Theory of Biopolymers 2018