Project name: 4cc82362ca038e0 [mutate: NA1A] [mutate: AR1A, VA2A]

Chain sequence(s)	A: AVDPNANPNVD
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	AR1A,VA2A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.214643 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                                                       (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -2.8867
• Maximal score value: -0.271
• Average score: -1.8596
• Total score value: -20.4559

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	R	A	-2.2889	mutated: AR1A
2	A	A	-1.9524	mutated: VA2A
3	D	A	-2.8867
4	P	A	-2.3129
5	N	A	-2.4229
6	A	A	-1.5806
7	N	A	-1.8712
8	P	A	-1.7777
9	N	A	-1.4988
10	V	A	-0.2710
11	D	A	-1.5928