Project name: e4a87b54d957513

Status: done

Started: 2026-07-02 14:32:15
Settings
Chain sequence(s) A: TTCCPSIVARSN
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
-1.0151
Maximal score value
2.1024
Average score
0.46
Total score value
5.5196

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 T A 0.0643
2 T A 0.1651
3 C A 0.5575
4 C A 0.5830
5 P A 0.4375
6 S A 1.1018
7 I A 2.1024
8 V A 1.8668
9 A A 0.4243
10 R A -0.4626
11 S A -0.3054
12 N A -1.0151
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Laboratory of Theory of Biopolymers 2018