Project name: sup35-abeta (cluster3)

Chain sequence(s)	A: NNQQNY; B: LVFFAEDVGSNKGAIIGLMVGGVVIA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.2269
• Maximal score value: 3.3071
• Average score: 0.7314
• Total score value: 23.4054

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	N	A	-1.5909
2	N	A	-1.2921
3	Q	A	-0.5014
4	Q	A	1.2394
5	N	A	0.9951
6	Y	A	2.1581
17	L	B	2.8699
18	V	B	3.3071
19	F	B	2.3576
20	F	B	2.2936
21	A	B	-0.2604
22	E	B	-1.8923
23	D	B	-1.7379
24	V	B	0.0512
25	G	B	-0.9968
26	S	B	-1.1968
27	N	B	-2.2269
28	K	B	-2.2238
29	G	B	-0.6692
30	A	B	0.6437
31	I	B	2.6674
32	I	B	2.7718
33	G	B	2.0111
34	L	B	2.3065
35	M	B	1.7691
36	V	B	0.1685
37	G	B	-0.4299
38	G	B	0.1138
39	V	B	2.4676
40	V	B	3.0476
41	I	B	3.2544
42	A	B	1.9303