Project name: 81e9725be2c25c0

Chain sequence(s)	A: MRWQEMGYIFYPRKLR
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.2501
• Maximal score value: 3.9969
• Average score: 0.116
• Total score value: 1.8564

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	M	A	0.2819
2	R	A	-1.3372
3	W	A	-0.3730
4	Q	A	-1.6295
5	E	A	-1.8094
6	M	A	0.3949
7	G	A	0.6866
8	Y	A	2.7488
9	I	A	3.9969
10	F	A	3.4758
11	Y	A	2.1526
12	P	A	0.0124
13	R	A	-1.9798
14	K	A	-2.2501
15	L	A	-0.7141
16	R	A	-1.8004