Project name: query_structure

Chain sequence(s)	A: GFAWNVCVYRNGVRVCHRRAN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.4706
• Maximal score value: 1.0794
• Average score: -0.5204
• Total score value: -10.9286

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	G	A	0.5763
2	F	A	1.0794
3	A	A	0.0887
4	W	A	-0.2735
5	N	A	-1.2709
6	V	A	-0.5423
7	C	A	0.2442
8	V	A	0.5521
9	Y	A	0.3309
10	R	A	-1.5386
11	N	A	-1.6910
12	G	A	-0.7034
13	V	A	0.4960
14	R	A	-0.3460
15	V	A	0.3656
16	C	A	0.2041
17	H	A	-1.4623
18	R	A	-2.4706
19	R	A	-1.9287
20	A	A	-1.1792
21	N	A	-1.4594