Project name: 2794147a0aeecbf

Status: done

Started: 2025-12-07 14:09:20
Settings
Chain sequence(s) L: KRFYGYD
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-2.036
Maximal score value
1.8415
Average score
-0.149
Total score value
-1.0431

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
57 K L -2.0360
58 R L -1.7970
59 F L 1.8415
60 Y L 1.5848
61 G L 0.0083
62 Y L 0.9060
63 D L -1.5507
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Laboratory of Theory of Biopolymers 2018