Project name: 3a3afca594345da

Status: done

Started: 2025-12-09 12:26:01
Settings
Chain sequence(s) L: KRDFKVLD
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)
Show buried residues

Minimal score value
-2.4792
Maximal score value
1.5455
Average score
-0.5716
Total score value
-4.5732

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
171 K L -1.9791
172 R L -2.4792
173 D L -1.7764
174 F L 1.3122
175 K L -1.2131
176 V L 1.5257
177 L L 1.5455
178 D L -1.5088
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018