Project name: eab3a0f9555b089

Status: done

Started: 2026-02-08 09:20:57
Settings
Chain sequence(s) L: KPVGGGGATGAGFYAD
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-2.0781
Maximal score value
1.6416
Average score
-0.198
Total score value
-3.1679

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 K L -2.0609
254 P L -0.2392
255 V L 1.6416
256 G L -0.2297
257 G L -0.6849
258 G L -0.6899
259 G L -0.5472
260 A L -0.0371
261 T L -0.1187
262 G L -0.4636
263 A L 0.0246
264 G L -0.2791
265 F L 1.1189
266 Y L 1.5071
267 A L -0.0317
268 D L -2.0781
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Laboratory of Theory of Biopolymers 2018