Project name: a5ab05c356e2946

Status: done

Started: 2026-01-21 15:41:41
Settings
Chain sequence(s) L: LEAARNTTTMLSKTLS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)
Show buried residues

Minimal score value
-2.2753
Maximal score value
1.6682
Average score
-0.2185
Total score value
-3.4959

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
253 L L 1.2088
254 E L -1.7189
255 A L -0.4036
256 A L -0.4941
257 R L -2.2753
258 N L -1.6146
259 T L -0.3169
260 T L -0.2801
261 T L 0.1049
262 M L 1.0927
263 L L 1.6682
264 S L -0.1950
265 K L -1.7441
266 T L -0.0965
267 L L 1.4950
268 S L 0.0736
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Laboratory of Theory of Biopolymers 2018