Project name: 48b93323aea42e

Status: done

Started: 2025-12-09 11:57:35
Settings
Chain sequence(s) L: KIYDFQSTWND
input PDB
Selected Chain(s) L
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-2.0194
Maximal score value
1.9373
Average score
-0.1292
Total score value
-1.4213

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
167 K L -1.3413
168 I L 1.9373
169 Y L 1.3524
170 D L -1.2021
171 F L 1.4029
172 Q L -0.8538
173 S L -0.2335
174 T L -0.0365
175 W L 0.9453
176 N L -1.3726
177 D L -2.0194
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Laboratory of Theory of Biopolymers 2018