Project name: spytag

Chain sequence(s)	D: AHIVMVVDAYKKPT
Selected Chain(s)	D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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 D 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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.4168
• Maximal score value: 3.272
• Average score: 0.7096
• Total score value: 8.5157

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
111	A	D	0.0216
112	H	D	0.5768
113	I	D	2.6526
114	V	D	3.2720
115	M	D	2.7337
116	V	D	2.0230
117	D	D	-0.3723
118	A	D	-0.0125
119	Y	D	0.2238
120	K	D	-1.4168
121	P	D	-0.7847
122	T	D	-0.4015