Project name: 7e6835fb07718a

Chain sequence(s)	L: SMKANLRYLFHGWYI
Selected Chain(s)	L
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.1717
• Maximal score value: 2.2172
• Average score: 0.5149
• Total score value: 7.7242

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
0	S	L	0.3448
1	M	L	0.8766
2	K	L	-0.5413
3	A	L	-0.2305
4	N	L	-1.0304
5	L	L	0.6674
6	R	L	-1.1717
7	Y	L	0.9583
8	L	L	1.0879
9	F	L	1.8411
10	H	L	-0.6203
11	G	L	0.0000
12	W	L	1.4237
13	Y	L	1.9014
14	I	L	2.2172