Project name: 80a30476ba48b50

Status: done

Started: 2026-01-24 17:08:44
Settings
Chain sequence(s) L: KCPGRVVGGCK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-1.6816
Maximal score value
2.0125
Average score
-0.2573
Total score value
-2.8304

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
278 K L -1.6816
279 C L -0.2544
280 P L -0.3226
281 G L -0.8307
282 R L -1.4738
283 V L 1.7824
284 V L 2.0125
285 G L -0.2264
286 G L -0.4421
287 C L 0.1958
288 K L -1.5895
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Laboratory of Theory of Biopolymers 2018