Project name: 202(8)

Chain sequence(s)	A: KWCFLVCYRGICYRRCR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.7646
• Maximal score value: 2.4142
• Average score: 0.4248
• Total score value: 7.2219

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	K	A	-1.4106
2	W	A	0.0844
3	C	A	0.1489
4	F	A	0.6875
5	L	A	1.3878
6	V	A	1.7838
7	C	A	2.2749
8	Y	A	1.8211
9	R	A	-0.5056
10	G	A	0.5124
11	I	A	2.4142
12	C	A	2.0860
13	Y	A	0.8691
14	R	A	-1.0344
15	R	A	-1.2876
16	C	A	-0.8454
17	R	A	-1.7646