Project name: 52c4145e6748d99

Status: done

Started: 2025-12-09 12:26:05
Settings
Chain sequence(s) L: KVYTPGYGAPEVMQD
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]                                                (00:00:00)
[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 L 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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.929
Maximal score value
1.5801
Average score
-0.1879
Total score value
-2.819

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
203 K L -1.3784
204 V L 1.5801
205 Y L 0.9415
206 T L 0.0002
207 P L -0.3509
208 G L -0.2727
209 Y L 1.2198
210 G L 0.1799
211 A L -0.0341
212 P L -0.5803
213 E L -1.7447
214 V L 0.2812
215 M L 0.6512
216 Q L -1.3828
217 D L -1.9290
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Laboratory of Theory of Biopolymers 2018