Project name: 26164c3eb015e74

Status: done

Started: 2026-02-22 03:57:52
Settings
Chain sequence(s) A: IPNVTQSCGD
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-2.1498
Maximal score value
1.8836
Average score
-0.32
Total score value
-3.1999

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 1.8836
2 P A 0.1335
3 N A -0.4684
4 V A 1.1418
5 T A -0.3208
6 Q A -1.4649
7 S A -0.4803
8 C A -0.2611
9 G A -1.2135
10 D A -2.1498
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018