Project name: c248f8191bcc8ee

Status: done

Started: 2026-02-08 09:22:59
Settings
Chain sequence(s) L: KTTDPSGGTVCPPSVD
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-1.8482
Maximal score value
1.4071
Average score
-0.3562
Total score value
-5.6994

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 K L -1.7137
206 T L -0.4349
207 T L -0.4420
208 D L -1.8482
209 P L -0.6237
210 S L -0.3443
211 G L -0.5905
212 G L -0.5642
213 T L 0.0066
214 V L 0.9301
215 C L 0.4959
216 P L -0.2395
217 P L -0.3380
218 S L 0.0655
219 V L 1.4071
220 D L -1.4656
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018