Project name: 202(9)

Chain sequence(s)	A: KWCFTVCYRGICYRRCR
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -1.7192
• Maximal score value: 2.408
• Average score: 0.1173
• Total score value: 1.994

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	-1.3699
2	W	A	-0.0513
3	C	A	-0.1371
4	F	A	0.1587
5	T	A	0.0740
6	V	A	0.9347
7	C	A	1.8737
8	Y	A	1.5394
9	R	A	-0.5457
10	G	A	0.4630
11	I	A	2.4080
12	C	A	1.8349
13	Y	A	0.7032
14	R	A	-1.4877
15	R	A	-1.7192
16	C	A	-1.0063
17	R	A	-1.6784