Project name: 76f99e0e4abd9bc

Status: done

Started: 2025-12-09 07:15:02
Settings
Chain sequence(s) L: KSWPYVAAGNISD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-1.828
Maximal score value
1.6214
Average score
-0.0706
Total score value
-0.9182

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
174 K L -1.7391
175 S L -0.3097
176 W L 1.1017
177 P L 0.2062
178 Y L 1.3203
179 V L 0.5313
180 A L 0.0921
181 A L -0.0152
182 G L -0.6888
183 N L -1.0160
184 I L 1.6214
185 S L -0.1944
186 D L -1.8280
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Laboratory of Theory of Biopolymers 2018