Project name: a34f34c9137ba55

Status: done

Started: 2026-02-22 04:00:19
Settings
Chain sequence(s) A: IPQVTNSCGE
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-2.1038
Maximal score value
1.9135
Average score
-0.3606
Total score value
-3.6056

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 I A 1.9135
2 P A 0.0912
3 Q A -0.4496
4 V A 1.1349
5 T A -0.3842
6 N A -1.4594
7 S A -0.7001
8 C A -0.2457
9 G A -1.4024
10 E A -2.1038
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018