Project name: b14270693ef8d4d

Status: done

Started: 2026-01-28 10:58:58
Settings
Chain sequence(s) L: KDTNGYPD
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-2.2007
Maximal score value
-0.2002
Average score
-1.2205
Total score value
-9.7639

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
0 K L -1.9599
1 D L -2.2007
2 T L -0.7224
3 N L -1.3407
4 G L -1.0463
5 Y L -0.2002
6 P L -0.4653
7 D L -1.8284
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018