Project name: 2e51bab0affcf13

Status: done

Started: 2025-12-09 12:25:41
Settings
Chain sequence(s) L: KSLSNPLDLPD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-1.8357
Maximal score value
1.4877
Average score
-0.316
Total score value
-3.4756

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
99 K L -1.7211
100 S L -0.1463
101 L L 1.4877
102 S L -0.1616
103 N L -1.2075
104 P L -0.3040
105 L L 1.0380
106 D L -1.2678
107 L L 0.9854
108 P L -0.3427
109 D L -1.8357
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018