Project name: b6fba367775024

Status: done

Started: 2025-12-07 14:08:56
Settings
Chain sequence(s) L: KAFGYVDQPPFVSD
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-1.828
Maximal score value
2.2449
Average score
0.1859
Total score value
2.603

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
53 K L -1.6914
54 A L 0.0852
55 F L 1.9082
56 G L 0.1831
57 Y L 0.7548
58 V L 1.5313
59 D L -1.5356
60 Q L -0.7609
61 P L -0.3645
62 P L 0.2179
63 F L 2.2449
64 V L 2.0795
65 S L -0.2215
66 D L -1.8280
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Laboratory of Theory of Biopolymers 2018