Project name: 7bdc48296aeaef7

Status: done

Started: 2025-12-07 14:11:24
Settings
Chain sequence(s) L: KYDGVARFFDVMED
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-2.1131
Maximal score value
2.312
Average score
-0.0667
Total score value
-0.934

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
379 K L -1.6235
380 Y L -0.2047
381 D L -1.7982
382 G L -0.4692
383 V L 1.6965
384 A L 0.0330
385 R L -1.5133
386 F L 1.9573
387 F L 2.3120
388 D L 0.1579
389 V L 1.7999
390 M L 0.8517
391 E L -2.0203
392 D L -2.1131
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Laboratory of Theory of Biopolymers 2018