Project name: c5e2e51a4008799

Status: done

Started: 2026-04-11 13:26:24
Settings
Chain sequence(s) A: MTIEELAEELIR
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.3213
Maximal score value
1.0694
Average score
-0.4397
Total score value
-5.276

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 M A 1.0694
2 T A 0.6534
3 I A 0.9936
4 E A -1.7275
5 E A -1.7026
6 L A 0.1419
7 A A -0.6900
8 E A -2.3213
9 E A -1.9151
10 L A 0.7286
11 I A 0.9566
12 R A -1.4630
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Laboratory of Theory of Biopolymers 2018