Project name: Prince Kumar

Status: done

Started: 2026-03-30 11:12:29
Settings
Chain sequence(s) A: KVQIINKKKLD
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-2.4892
Maximal score value
2.2454
Average score
-0.3545
Total score value
-3.5446

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
274 K A -1.1515
275 V A 0.7824
276 Q A 0.5610
277 I A 2.2454
278 I A 1.6922
279 N A -1.1044
280 K A -2.1113
281 K A -2.4892
282 L A -0.5114
283 D A -1.4578
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Laboratory of Theory of Biopolymers 2018