Project name: P01 [mutate: WF3A] [mutate: FW3A, IQ2A, IQ4A, IQ6A, IQ8A, IQ13A] [mutate: QI2A, QI4A, QI6A, QI8A, QI13A] [mutate: WF3A, WF7A, WF14A] [mutate: FY3A, FY7A, FY14A]

Chain sequence(s)	A: KIFIKIFIKLLKIF
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FY14A,FY3A,FY7A
Energy difference between WT (input) and mutated protein (by FoldX)	0.351584 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:14)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: 0.1131
• Maximal score value: 2.7406
• Average score: 1.67
• Total score value: 23.3795

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	0.1131
2	I	A	2.2769
3	Y	A	2.7406	mutated: FY3A
4	I	A	2.3501
5	K	A	1.0157
6	I	A	2.3246
7	Y	A	2.5471	mutated: FY7A
8	I	A	1.6546
9	K	A	0.4189
10	L	A	1.7441
11	L	A	1.6771
12	K	A	0.3410
13	I	A	2.1534
14	Y	A	2.0223	mutated: FY14A