Project name: 77883c38d2ce03

Status: done

Started: 2025-12-09 12:27:00
Settings
Chain sequence(s) L: KIAKEASVNLIPGYD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)
Show buried residues

Minimal score value
-2.2108
Maximal score value
2.0924
Average score
-0.1026
Total score value
-1.5392

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
122 K L -1.5253
123 I L 1.5206
124 A L 0.0799
125 K L -2.2108
126 E L -1.9050
127 A L -0.3083
128 S L 0.1216
129 V L 1.5027
130 N L -0.8277
131 L L 0.8209
132 I L 2.0924
133 P L 0.0147
134 G L -0.2680
135 Y L 0.9044
136 D L -1.5513
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Laboratory of Theory of Biopolymers 2018