Project name: 6b320ee757c6850

Status: done

Started: 2026-04-11 13:15:22
Settings
Chain sequence(s) A: GPQIVLSCMKQP
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.                                          (00:00:05)
Show buried residues

Minimal score value
-1.9291
Maximal score value
3.1677
Average score
0.6597
Total score value
7.9159

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 G A -0.1585
2 P A 0.4710
3 Q A 0.7396
4 I A 2.6391
5 V A 3.1677
6 L A 2.6081
7 S A 1.5922
8 C A 1.3021
9 M A 0.3333
10 K A -1.9291
11 Q A -1.6593
12 P A -1.1903
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Laboratory of Theory of Biopolymers 2018