Project name: 92dbacf204edd94

Status: done

Started: 2025-12-09 07:16:04
Settings
Chain sequence(s) L: KGVPGTWEEFYD
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)
Show buried residues

Minimal score value
-1.8917
Maximal score value
2.0163
Average score
-0.1288
Total score value
-1.5459

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
166 K L -1.7841
167 G L -0.4453
168 V L 1.6731
169 P L -0.0027
170 G L -0.4877
171 T L 0.0913
172 W L 1.0557
173 E L -1.8917
174 E L -1.5637
175 F L 2.0163
176 Y L 1.3467
177 D L -1.5538
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Laboratory of Theory of Biopolymers 2018