Project name: fc72403de72ed87

Status: done

Started: 2025-12-11 04:29:13
Settings
Chain sequence(s) L: KGDLPWLDPPPD
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-1.8361
Maximal score value
1.3961
Average score
-0.4399
Total score value
-5.2782

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
398 K L -1.7835
399 G L -1.1023
400 D L -1.5902
401 L L 1.1713
402 P L 0.2046
403 W L 1.2151
404 L L 1.3961
405 D L -1.5511
406 P L -0.5936
407 P L -0.2056
408 P L -0.6029
409 D L -1.8361
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Laboratory of Theory of Biopolymers 2018