Project name: 34a6a18e35613cf

Status: done

Started: 2026-01-21 15:39:56
Settings
Chain sequence(s) L: KSLTIYAQVQK
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.9157
Maximal score value
2.2414
Average score
0.1365
Total score value
1.5019

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
105 K L -1.7388
106 S L -0.2326
107 L L 1.4948
108 T L 0.5838
109 I L 2.2414
110 Y L 1.6964
111 A L 0.0793
112 Q L -0.8596
113 V L 1.3302
114 Q L -1.1773
115 K L -1.9157
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Laboratory of Theory of Biopolymers 2018