Project name: 81196515ee63ff1

Status: done

Started: 2026-04-11 12:58:50
Settings
Chain sequence(s) A: GADIVIECMKTV
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-0.591
Maximal score value
2.5556
Average score
0.8602
Total score value
10.3219

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 G A -0.4241
2 A A -0.0693
3 D A 0.2762
4 I A 2.2529
5 V A 2.5556
6 I A 1.4432
7 E A 0.0107
8 C A 1.4180
9 M A 1.5867
10 K A -0.5910
11 T A 0.3937
12 V A 1.4693
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018