Project name: 78d9844f18fe5da

Status: done

Started: 2025-12-11 04:30:09
Settings
Chain sequence(s) L: SPEYNACCASYY
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.6224
Maximal score value
1.5405
Average score
0.1924
Total score value
2.3084

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
86 S L 0.1297
87 P L -0.5921
88 E L -1.6224
89 Y L 0.7495
90 N L -1.0261
91 A L -0.0501
92 C L 0.8402
93 C L 0.6768
94 A L 0.1159
95 S L 0.0328
96 Y L 1.5137
97 Y L 1.5405
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Laboratory of Theory of Biopolymers 2018