Project name: fed126e2e34de4f

Status: done

Started: 2026-02-22 04:05:57
Settings
Chain sequence(s) A: IPQVSNTCGD
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-2.1007
Maximal score value
1.898
Average score
-0.2775
Total score value
-2.7748

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 1.8980
2 P A 0.1548
3 Q A -0.3285
4 V A 1.2275
5 S A -0.3573
6 N A -1.4468
7 T A -0.4043
8 C A -0.2161
9 G A -1.2014
10 D A -2.1007
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Laboratory of Theory of Biopolymers 2018