Project name: 8eb173dc6544e74 [mutate: VA2A]

Chain sequence(s)	A: NVDPNANPNVD
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VA2A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0357807 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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -2.7457
• Maximal score value: -0.271
• Average score: -1.7631
• Total score value: -19.3939

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	N	A	-1.7178
2	A	A	-1.6732	mutated: VA2A
3	D	A	-2.7457
4	P	A	-2.2422
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