Project name: f8803d803029460

Status: done

Started: 2025-12-09 12:24:39
Settings
Chain sequence(s) L: KWQLIQEAGWGNYFYD
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)
Show buried residues

Minimal score value
-1.8561
Maximal score value
2.2777
Average score
-0.1103
Total score value
-1.7655

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
178 K L -1.5246
179 W L 0.4537
180 Q L -0.7432
181 L L 1.1761
182 I L 0.4003
183 Q L -1.4456
184 E L -1.8561
185 A L -0.3123
186 G L 0.0179
187 W L 1.0880
188 G L -0.4848
189 N L -1.2612
190 Y L 0.6551
191 F L 2.2777
192 Y L 1.3461
193 D L -1.5526
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Laboratory of Theory of Biopolymers 2018