Project name: V2K

Chain sequence(s)	A: VFSKLAYILYGSGGSGKQSSRVPLY
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.0388
• Maximal score value: 2.2146
• Average score: 0.2946
• Total score value: 7.3653

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	V	A	2.1137
2	F	A	2.2146
3	S	A	-0.1714
4	K	A	-1.4584
5	L	A	1.2425
6	A	A	0.5267
7	Y	A	1.5083
8	I	A	1.9708
9	L	A	2.0446
10	Y	A	1.5102
11	G	A	-0.0717
12	S	A	-0.3787
13	G	A	-0.5876
14	G	A	-0.5882
15	S	A	-0.3824
16	G	A	-0.8133
17	K	A	-2.0388
18	Q	A	-1.5676
19	S	A	-0.6448
20	S	A	-0.5959
21	R	A	-1.5622
22	V	A	1.3924
23	P	A	0.3494
24	L	A	1.7476
25	Y	A	1.6055