Project name: dbfc5f105345131

Status: done

Started: 2026-02-08 09:22:37
Settings
Chain sequence(s) L: KGPPPSSPQSACHDGD
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)
Show buried residues

Minimal score value
-2.0559
Maximal score value
0.4002
Average score
-0.7622
Total score value
-12.1956

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 -1.7949
206 G L -0.8254
207 P L -0.3592
208 P L -0.3703
209 P L -0.3092
210 S L -0.2941
211 S L -0.2680
212 P L -0.5112
213 Q L -1.1929
214 S L -0.4406
215 A L 0.0000
216 C L 0.4002
217 H L -1.1883
218 D L -2.0559
219 G L -1.1121
220 D L -1.8737
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Laboratory of Theory of Biopolymers 2018