Project name: Amrita

Chain sequence(s)	A: KKDDWSSFY; B: KDDWSSFY
Selected Chain(s)	A,B
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 all 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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -1.5215
• Maximal score value: 2.4118
• Average score: 0.6224
• Total score value: 7.4686

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
1	K	A	-1.3288
2	D	A	-1.0309
3	W	A	1.5439
4	S	A	1.3931
5	F	A	1.8244
6	Y	A	0.9839
1	K	B	-1.5215
2	D	B	-1.2502
3	W	B	1.4229
4	S	B	1.7575
5	F	B	2.4118
6	Y	B	1.2625