Project name: 2f3c91871fbf607

Status: done

Started: 2026-01-28 10:56:37
Settings
Chain sequence(s) L: MKTDMNGDYV
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]                                                (00:00:02)
[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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-1.6585
Maximal score value
2.0595
Average score
-0.3569
Total score value
-3.5691

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
0 M L 0.3028
1 K L -1.6585
2 T L -0.7461
3 D L -1.6320
4 M L 0.4947
5 N L -1.1111
6 G L -0.9945
7 D L -1.5976
8 Y L 1.3137
9 V L 2.0595
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Laboratory of Theory of Biopolymers 2018