Project name: 9be7b7144d97e97 [mutate: NA1A]

Chain sequence(s)	A: NWKKILRR
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	NA1A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0804269 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                                        (00:00:18)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.4092
• Maximal score value: 0.5188
• Average score: -0.9146
• Total score value: -7.317

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	A	A	0.1151	mutated: NA1A
2	W	A	0.5188
3	K	A	-1.6279
4	K	A	-1.7490
5	I	A	0.4382
6	L	A	-0.2586
7	R	A	-2.4092
8	R	A	-2.3444