Project name: 9cb667caf6c85dc

Status: done

Started: 2025-12-09 07:16:10
Settings
Chain sequence(s) L: KIWEERGLVAD
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-2.2605
Maximal score value
1.7601
Average score
-0.4118
Total score value
-4.5293

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
418 K L -1.6022
419 I L 0.8819
420 W L 0.9460
421 E L -1.3731
422 E L -2.2418
423 R L -2.2605
424 G L -0.6390
425 L L 1.7505
426 V L 1.7601
427 A L 0.0276
428 D L -1.7788
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Laboratory of Theory of Biopolymers 2018