Project name: 5e27752d8df0b73

Status: done

Started: 2025-12-07 14:10:20
Settings
Chain sequence(s) L: SSQQGSWPFEPFV
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-1.5023
Maximal score value
2.2117
Average score
0.119
Total score value
1.5466

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
75 S L 0.0715
76 S L -0.4704
77 Q L -1.4561
78 Q L -1.5023
79 G L -0.6907
80 S L 0.0962
81 W L 0.9489
82 P L 0.3099
83 F L 1.5677
84 E L -1.1733
85 P L -0.2208
86 F L 2.2117
87 V L 1.8543
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Laboratory of Theory of Biopolymers 2018