Project name: 4061b971933b371

Status: done

Started: 2025-12-09 07:16:21
Settings
Chain sequence(s) L: KYYDLYEEDGQTD
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-2.4578
Maximal score value
1.3724
Average score
-0.7443
Total score value
-9.6762

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
219 K L -1.4599
220 Y L 1.2418
221 Y L 1.2278
222 D L -1.2718
223 L L 1.3724
224 Y L 0.4486
225 E L -1.9931
226 E L -2.4578
227 D L -2.1963
228 G L -1.0097
229 Q L -1.2971
230 T L -0.6202
231 D L -1.6609
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Laboratory of Theory of Biopolymers 2018