Project name: abeta16

Chain sequence(s)	A: DAEFRHDSGYEVHHQK
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -1.9229
• Maximal score value: 1.433
• Average score: -0.7376
• Total score value: -11.8014

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	-1.8245
2	A	A	-0.6128
3	E	A	-1.5977
4	F	A	0.2254
5	R	A	-1.8863
6	H	A	-1.0477
7	D	A	-1.8981
8	S	A	-0.6084
9	G	A	-0.1326
10	Y	A	1.0976
11	E	A	-0.2574
12	V	A	1.4330
13	H	A	-0.6856
14	H	A	-0.5436
15	Q	A	-1.5398
16	K	A	-1.9229