Project name: 202(5)

Chain sequence(s)	A: KWCFRVCYRMICYRRCR
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.4741
• Maximal score value: 2.6353
• Average score: -0.2288
• Total score value: -3.8895

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	-1.2678
2	W	A	0.0539
3	C	A	-0.8675
4	F	A	-1.0454
5	R	A	-1.7856
6	V	A	-0.1103
7	C	A	1.4459
8	Y	A	1.7824
9	R	A	0.0089
10	M	A	1.5436
11	I	A	2.6353
12	C	A	1.5625
13	Y	A	0.3145
14	R	A	-2.3069
15	R	A	-2.4741
16	C	A	-1.5216
17	R	A	-1.8573