Project name: Amyloid Beta 42

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
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 A 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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.6314
• Maximal score value: 3.9372
• Average score: 0.0641
• Total score value: 2.693

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	D	A	-2.2820
2	A	A	-2.1224
3	E	A	-2.5166
4	F	A	-0.7949
5	R	A	-2.6136
6	H	A	-2.6314
7	D	A	-1.8388
8	S	A	-1.1310
9	G	A	-0.7745
10	Y	A	-0.0957
11	E	A	-1.3702
12	V	A	-1.2345
13	H	A	-1.6176
14	H	A	-1.4846
15	Q	A	-0.7025
16	K	A	-0.6150
17	L	A	1.6523
18	V	A	1.7237
19	F	A	2.5511
20	F	A	2.3830
21	A	A	0.8779
22	E	A	-1.0541
23	D	A	-1.6269
24	V	A	-0.5957
25	G	A	-1.3095
26	S	A	-1.8607
27	N	A	-2.0491
28	K	A	-1.9656
29	G	A	-1.0160
30	A	A	-0.1631
31	I	A	0.8795
32	I	A	2.3620
33	G	A	1.7993
34	L	A	2.5265
35	M	A	2.1946
36	V	A	3.2939
37	G	A	1.7936
38	G	A	1.6464
39	V	A	3.5378
40	V	A	3.9372
41	I	A	3.3166
42	A	A	1.6836