Project name: b51e73df1aaa339

Status: done

Started: 2025-12-09 12:08:18
Settings
Chain sequence(s) L: KAAHVCNPVGGYD
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-1.6893
Maximal score value
1.6734
Average score
-0.1157
Total score value
-1.5044

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
42 K L -1.6893
43 A L -0.2409
44 A L -0.1122
45 H L -0.6544
46 V L 1.6734
47 C L 0.5390
48 N L -1.2367
49 P L -0.2167
50 V L 1.6424
51 G L -0.2283
52 G L -0.3349
53 Y L 0.9067
54 D L -1.5525
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Laboratory of Theory of Biopolymers 2018