Project name: 508002b574eb1bc

Status: done

Started: 2026-04-11 13:21:21
Settings
Chain sequence(s) A: KLDEMAEIVLDMAR
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.                                          (00:00:13)
Show buried residues

Minimal score value
-2.795
Maximal score value
2.3525
Average score
-0.417
Total score value
-5.8375

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
1 K A -1.9552
2 L A -0.8018
3 D A -2.5529
4 E A -2.7950
5 M A -0.5075
6 A A -0.5153
7 E A -0.9064
8 I A 1.2337
9 V A 2.3525
10 L A 1.3904
11 D A -0.4103
12 M A 0.9303
13 A A 0.1433
14 R A -1.4433
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Laboratory of Theory of Biopolymers 2018