Project name: 202(4)

Chain sequence(s)	A: KWCFRVCYIGICYRRCR
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -2.3286
• Maximal score value: 3.5226
• Average score: 0.3012
• Total score value: 5.1199

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	-1.3454
2	W	A	0.0842
3	C	A	-0.4146
4	F	A	-0.7250
5	R	A	-1.8557
6	V	A	0.2308
7	C	A	2.3379
8	Y	A	3.5226
9	I	A	3.2887
10	G	A	2.1735
11	I	A	3.4508
12	C	A	1.9080
13	Y	A	-0.0742
14	R	A	-2.3286
15	R	A	-2.2100
16	C	A	-1.2318
17	R	A	-1.6913