Project name: 5524b4579ca9139

Status: done

Started: 2025-12-09 07:17:07
Settings
Chain sequence(s) L: KGTPLGTTIYVTD
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
-1.8021
Maximal score value
2.2429
Average score
0.2303
Total score value
2.9942

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
312 K L -1.7840
313 G L -0.7795
314 T L -0.1684
315 P L 0.0179
316 L L 1.4171
317 G L -0.1989
318 T L -0.1700
319 T L 0.2859
320 I L 2.2429
321 Y L 2.0070
322 V L 1.9968
323 T L -0.0705
324 D L -1.8021
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Laboratory of Theory of Biopolymers 2018