Project name: d9b69e4e6ecc014

Status: done

Started: 2025-12-09 07:17:06
Settings
Chain sequence(s) L: KLLPGYWNFPQPRDID
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)
Show buried residues

Minimal score value
-2.0479
Maximal score value
1.767
Average score
-0.0581
Total score value
-0.9289

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
164 K L -1.3502
165 L L 1.3680
166 L L 1.6939
167 P L 0.1612
168 G L 0.3262
169 Y L 1.7670
170 W L 1.1901
171 N L -0.8630
172 F L 0.7838
173 P L -0.0704
174 Q L -1.2502
175 P L -0.7988
176 R L -2.0479
177 D L -0.9942
178 I L 0.7275
179 D L -1.5719
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Laboratory of Theory of Biopolymers 2018