Project name: b79851e1943d7a5

Status: done

Started: 2026-01-21 15:40:45
Settings
Chain sequence(s) L: DTSRMEEVD
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
-2.0092
Maximal score value
1.1234
Average score
-0.9551
Total score value
-8.5958

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
414 D L -1.8020
415 T L -0.4278
416 S L -0.5561
417 R L -1.8805
418 M L 0.3936
419 E L -1.9573
420 E L -2.0092
421 V L 1.1234
422 D L -1.4799
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Laboratory of Theory of Biopolymers 2018