Project name: 94bd8a0414d6fb0

Status: done

Started: 2025-03-04 09:06:45
Settings
Chain sequence(s) A: NWKCFSKILRRCLCTK
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-1.6517
Maximal score value
2.1976
Average score
-0.0447
Total score value
-0.7147

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 N A -1.5299
2 W A -0.5973
3 K A -0.8967
4 C A 0.7733
5 F A 2.1976
6 S A 0.0000
7 K A -0.5477
8 I A 1.4220
9 L A 0.9517
10 R A -1.6120
11 R A -1.2493
12 C A 0.4029
13 L A 1.2328
14 C A 0.5446
15 T A -0.1550
16 K A -1.6517
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Laboratory of Theory of Biopolymers 2018