Project name: P01 [mutate: WF3A] [mutate: FW3A, IQ2A, IQ4A, IQ6A, IQ8A, IQ13A]

Chain sequence(s)	A: KIFIKIWIKLLKIW
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	IQ13A,FW3A,IQ2A,IQ4A,IQ6A,IQ8A
Energy difference between WT (input) and mutated protein (by FoldX)	0.559754 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                                        (00:02:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -3.6341
• Maximal score value: 0.226
• Average score: -2.1327
• Total score value: -29.858

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	-2.8337
2	Q	A	-2.5517	mutated: IQ2A
3	W	A	-1.5551	mutated: FW3A
4	Q	A	-2.9513	mutated: IQ4A
5	K	A	-3.6341
6	Q	A	-2.7722	mutated: IQ6A
7	W	A	-1.9014
8	Q	A	-2.6808	mutated: IQ8A
9	K	A	-3.0775
10	L	A	-1.4862
11	L	A	-0.8192
12	K	A	-2.2443
13	Q	A	-1.5765	mutated: IQ13A
14	W	A	0.2260