Project name: 75ab7d1ffeeebb1

Status: done

Started: 2025-12-09 07:16:11
Settings
Chain sequence(s) L: KYNDLDLVFCEPD
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-1.8352
Maximal score value
2.4104
Average score
-0.1138
Total score value
-1.4796

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
287 K L -1.4526
288 Y L 0.7630
289 N L -1.3611
290 D L -1.7372
291 L L 0.8967
292 D L -1.2334
293 L L 1.5482
294 V L 2.4104
295 F L 2.4007
296 C L 0.7575
297 E L -1.7327
298 P L -0.9039
299 D L -1.8352
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Laboratory of Theory of Biopolymers 2018