Project name: e2cb39e2e3f85a9

Status: done

Started: 2026-01-21 15:40:36
Settings
Chain sequence(s) L: GVKSLKRRRCY
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.503
Maximal score value
1.4482
Average score
-0.5365
Total score value
-5.9012

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 G L -0.1448
206 V L 1.3781
207 K L -1.4160
208 S L -0.2418
209 L L 1.2019
210 K L -1.7470
211 R L -2.4707
212 R L -2.5030
213 R L -2.0456
214 C L 0.6395
215 Y L 1.4482
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Laboratory of Theory of Biopolymers 2018