Project name: 44a

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]                                                (00:00:00)
[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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.8085
• Maximal score value: 3.7141
• Average score: 0.3685
• Total score value: 5.8959

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	0.2244
2	R	A	-1.3454
3	W	A	0.0493
4	Q	A	-1.1746
5	E	A	-0.8460
6	M	A	1.2113
7	G	A	1.5870
8	Y	A	2.4551
9	I	A	3.2536
10	F	A	3.7141
11	Y	A	2.3422
12	P	A	0.3758
13	R	A	-1.6947
14	K	A	-1.6991
15	L	A	-0.7486
16	R	A	-1.8085