Project name: Sup35_4

Chain sequence(s)	A: GNNQQNY; C: GNNQQNY; B: GNNQQNY; D: GNNQQNY
Selected Chain(s)	A,C,B,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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 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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.9575
• Maximal score value: 0.2131
• Average score: -2.4118
• Total score value: -67.5292

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	-2.0176
2	N	A	-2.4451
3	N	A	-2.8049
4	Q	A	-2.6883
5	Q	A	-2.3472
6	N	A	-1.7428
7	Y	A	0.1401
1	G	B	-2.6946
2	N	B	-3.1393
3	N	B	-3.4018
4	Q	B	-2.8557
5	Q	B	-2.7313
6	N	B	-2.5806
7	Y	B	-1.7225
1	G	C	-3.2388
2	N	C	-3.6440
3	N	C	-3.9575
4	Q	C	-3.1871
5	Q	C	-2.6867
6	N	C	-1.8249
7	Y	C	0.1375
1	G	D	-2.4996
2	N	D	-3.3012
3	N	D	-3.0538
4	Q	D	-3.2280
5	Q	D	-2.3187
6	N	D	-1.9079
7	Y	D	0.2131