Project name: 7a8be0f15aa919a

Status: done

Started: 2025-12-11 04:29:08
Settings
Chain sequence(s) L: KPLLPVDGKIKVEKID
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)
Show buried residues

Minimal score value
-1.8078
Maximal score value
1.6659
Average score
-0.2294
Total score value
-3.671

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
274 K L -1.7457
275 P L -0.3980
276 L L 1.1360
277 L L 1.6659
278 P L 0.3427
279 V L 1.4091
280 D L -1.5595
281 G L -1.1018
282 K L -1.4196
283 I L 1.3929
284 K L -0.9998
285 V L 1.1248
286 E L -1.8078
287 K L -1.6651
288 I L 1.3796
289 D L -1.4247
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Laboratory of Theory of Biopolymers 2018