Project name: Sup35_2

Chain sequence(s)	A: GNNQQNY; B: GNNQQNY
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           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -4.9246
• Maximal score value: 0.2064
• Average score: -3.021
• Total score value: -42.2933

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	G	A	-3.1096
2	N	A	-4.5800
3	N	A	-4.5318
4	Q	A	-3.8285
5	Q	A	-2.9765
6	N	A	-2.0430
7	Y	A	0.2064
1	G	B	-4.1528
2	N	B	-4.9246
3	N	B	-4.2378
4	Q	B	-3.8296
5	Q	B	-2.5679
6	N	B	-1.7526
7	Y	B	0.0350