Project name: 202(3)

Chain sequence(s)	A: KWCFRVCYRYICYRRCR
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]                                                (00:00:00)
[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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.5978
• Maximal score value: 2.2776
• Average score: -0.3128
• Total score value: -5.3173

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	-1.4608
2	W	A	-0.1273
3	C	A	-0.7531
4	F	A	-0.8243
5	R	A	-1.8530
6	V	A	-0.0511
7	C	A	1.4744
8	Y	A	1.7296
9	R	A	0.0042
10	Y	A	1.5306
11	I	A	2.2776
12	C	A	1.3817
13	Y	A	0.0249
14	R	A	-2.3929
15	R	A	-2.5978
16	C	A	-1.7554
17	R	A	-1.9246