Project name: 9205b18055b4542

Status: done

Started: 2025-12-09 07:16:13
Settings
Chain sequence(s) L: KYPNGDLLLPFFRGD
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-1.875
Maximal score value
2.2324
Average score
-0.0459
Total score value
-0.6881

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
134 K L -1.4619
135 Y L 0.9887
136 P L -0.1018
137 N L -1.3766
138 G L -1.0267
139 D L -1.8207
140 L L 0.2244
141 L L 1.7531
142 L L 1.7745
143 P L 0.5454
144 F L 2.2324
145 F L 1.9585
146 R L -1.5757
147 G L -0.9267
148 D L -1.8750
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Laboratory of Theory of Biopolymers 2018