Project name: 4cc82362ca038e0

Status: done

Started: 2025-03-01 09:50:59
Settings
Chain sequence(s) A: NVDPNANPNVD
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.                                          (00:00:02)
Show buried residues

Minimal score value
-2.1786
Maximal score value
0.0411
Average score
-1.3547
Total score value
-14.902

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 N A -0.8796
2 V A 0.0411
3 D A -1.9002
4 P A -1.7589
5 N A -2.1786
6 A A -1.3025
7 N A -1.8320
8 P A -1.7587
9 N A -1.4856
10 V A -0.2595
11 D A -1.5875
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018