Project name: query_structure

Chain sequence(s)	A: GGAGHVPQYFVGIGTPISFYG
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]                                                (00:00:00)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -0.9135
• Maximal score value: 3.5468
• Average score: 1.3799
• Total score value: 28.9784

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	-0.7448
2	G	A	-0.9135
3	A	A	-0.5419
4	G	A	-0.4411
5	H	A	0.1200
6	V	A	2.2783
7	P	A	0.0000
8	Q	A	0.8435
9	Y	A	2.5189
10	F	A	3.5468
11	V	A	3.1363
12	G	A	1.8913
13	I	A	2.6998
14	G	A	1.5767
15	T	A	2.4230
16	P	A	1.8614
17	I	A	2.1186
18	S	A	1.6107
19	F	A	2.5176
20	Y	A	1.8949
21	G	A	0.5819