Project name: ae6362fc909b9f1

Status: done

Started: 2025-12-09 07:17:06
Settings
Chain sequence(s) L: KHTYEID
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)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-1.6672
Maximal score value
1.1698
Average score
-0.4965
Total score value
-3.4753

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
182 K L -1.6672
183 H L -1.3102
184 T L -0.0112
185 Y L 0.9775
186 E L -1.2190
187 I L 1.1698
188 D L -1.4150
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Laboratory of Theory of Biopolymers 2018