Project name: Amyloid beta 42 monomer_1

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             (00:00:01)
[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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.1119
• Maximal score value: 4.0765
• Average score: -0.0038
• Total score value: -0.1609

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	-2.2949
2	A	A	-1.7139
3	E	A	-2.4638
4	F	A	-1.0030
5	R	A	-2.8663
6	H	A	-3.1119
7	D	A	-2.8255
8	S	A	-1.7206
9	G	A	-1.4577
10	Y	A	-1.2905
11	E	A	-2.4403
12	V	A	-0.7243
13	H	A	-0.7609
14	H	A	-1.3262
15	Q	A	-0.5180
16	K	A	0.0461
17	L	A	1.8027
18	V	A	2.0240
19	F	A	2.0307
20	F	A	2.0490
21	A	A	0.7435
22	E	A	-1.0774
23	D	A	-1.2418
24	V	A	-0.9012
25	G	A	-1.6193
26	S	A	-2.0251
27	N	A	-2.4739
28	K	A	-2.0342
29	G	A	-1.2115
30	A	A	-0.4081
31	I	A	0.3574
32	I	A	1.1593
33	G	A	1.3614
34	L	A	2.6191
35	M	A	2.6730
36	V	A	3.7842
37	G	A	2.6801
38	G	A	2.6910
39	V	A	3.9997
40	V	A	4.0765
41	I	A	3.4914
42	A	A	1.7603