Project name: query_structure

Chain sequence(s)	A: GGTALAIEGPTLRQWLAARA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.6515
• Maximal score value: 2.0832
• Average score: -0.1198
• Total score value: -2.3952

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	-0.7140
2	G	A	-0.5063
3	T	A	0.1360
4	A	A	1.1107
5	L	A	2.0832
6	A	A	1.3585
7	I	A	1.6578
8	E	A	-0.9175
9	G	A	-0.6144
10	P	A	-0.5530
11	T	A	-0.1042
12	L	A	0.9795
13	R	A	-1.3926
14	Q	A	-1.3575
15	W	A	-0.0234
16	L	A	-0.1350
17	A	A	-0.5562
18	A	A	-0.7190
19	R	A	-1.6515
20	A	A	-0.4763