Project name: 4cc82362ca038e0 [mutate: NA1A]

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	NA1A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0567073 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                                                       (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -2.1771
• Maximal score value: 0.692
• Average score: -1.1283
• Total score value: -12.4112

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	0.4518	mutated: NA1A
2	V	A	0.6920
3	D	A	-1.5708
4	P	A	-1.5930
5	N	A	-2.1771
6	A	A	-1.3004
7	N	A	-1.8277
8	P	A	-1.7567
9	N	A	-1.4841
10	V	A	-0.2582
11	D	A	-1.5870