Project name: A2K

Chain sequence(s)	A: ASNPYVEPRGSGGSGKQSSRVPLY
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -2.006
• Maximal score value: 1.7403
• Average score: -0.3358
• Total score value: -8.0603

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	A	A	0.0199
2	S	A	-0.4347
3	N	A	-1.3577
4	P	A	-0.2448
5	Y	A	1.5696
6	V	A	1.5519
7	E	A	-1.5613
8	P	A	-0.9147
9	R	A	-1.9743
10	G	A	-0.8385
11	S	A	-0.3819
12	G	A	-0.5900
13	G	A	-0.5939
14	S	A	-0.3908
15	G	A	-0.8208
16	K	A	-2.0060
17	Q	A	-1.5485
18	S	A	-0.4707
19	S	A	-0.5882
20	R	A	-1.5630
21	V	A	1.3947
22	P	A	0.3459
23	L	A	1.7403
24	Y	A	1.5972