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

Chain sequence(s)	A: KQWQKQWQKLLKQW
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QI8A,QI2A,QI4A,QI13A,QI6A
Energy difference between WT (input) and mutated protein (by FoldX)	0.0326252 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                                                       (00:00:11)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:33)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: 0.2209
• Maximal score value: 2.7381
• Average score: 1.6767
• Total score value: 23.4734

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	0.2209
2	I	A	2.3092	mutated: QI2A
3	W	A	2.7381
4	I	A	2.7014	mutated: QI4A
5	K	A	1.2538
6	I	A	2.0624	mutated: QI6A
7	W	A	2.3756
8	I	A	1.7985	mutated: QI8A
9	K	A	0.3512
10	L	A	1.6009
11	L	A	1.7246
12	K	A	0.3131
13	I	A	2.0982	mutated: QI13A
14	W	A	1.9255