Project name: CCWFQNRRMKWKK

Status: done

Started: 2026-04-08 07:38:52
Settings
Chain sequence(s) A: CCWFQNRRMKWKK
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)
Show buried residues

Minimal score value
-3.0708
Maximal score value
1.8399
Average score
-1.0792
Total score value
-14.0293

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 C A 1.6791
2 C A 1.8073
3 W A 1.8399
4 F A 1.2920
5 Q A -0.7434
6 N A -2.1710
7 R A -2.8884
8 R A -3.0708
9 M A -2.3610
10 K A -2.9581
11 W A -1.4327
12 K A -2.5356
13 K A -2.4866
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Laboratory of Theory of Biopolymers 2018