Project name: 5e8799754cc80cf

Status: done

Started: 2025-12-09 12:25:51
Settings
Chain sequence(s) L: KKYIILQQFGFRD
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)
Show buried residues

Minimal score value
-2.006
Maximal score value
2.424
Average score
0.1269
Total score value
1.6493

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
208 K L -2.0060
209 K L -1.7692
210 Y L 1.1371
211 I L 1.3136
212 I L 2.4240
213 L L 1.6963
214 Q L -1.1058
215 Q L -0.9140
216 F L 1.6959
217 G L 0.4126
218 F L 1.7046
219 R L -0.9685
220 D L -1.9713
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Laboratory of Theory of Biopolymers 2018