Project name: 4198e4cb0345dd4

Status: done

Started: 2025-12-09 07:16:03
Settings
Chain sequence(s) L: TGFGKINSEYWIG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-1.7014
Maximal score value
2.1527
Average score
0.1606
Total score value
2.0881

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
88 T L -0.2638
89 G L -0.1733
90 F L 1.7681
91 G L -0.2777
92 K L -1.4142
93 I L 1.4666
94 N L -0.9467
95 S L -0.7665
96 E L -1.7014
97 Y L 0.6739
98 W L 1.7092
99 I L 2.1527
100 G L -0.1388
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Laboratory of Theory of Biopolymers 2018