Project name: query_structure

Chain sequence(s)	A: GLPVCGESCFGGSCYTPGCSCTWPICTRD
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -2.682
• Maximal score value: 1.9499
• Average score: 0.1792
• Total score value: 5.1969

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	0.3328
2	L	A	1.1264
3	P	A	-0.3810
4	V	A	0.0976
5	C	A	-0.2879
6	G	A	-0.4307
7	E	A	-0.0195
8	S	A	0.7143
9	C	A	0.0000
10	F	A	1.9499
11	G	A	0.5248
12	G	A	0.3666
13	S	A	0.4863
14	C	A	0.8450
15	Y	A	1.1408
16	T	A	0.1051
17	P	A	-0.3414
18	G	A	-1.1903
19	C	A	-0.9670
20	S	A	-0.3180
21	C	A	1.0284
22	T	A	1.0965
23	W	A	1.8821
24	P	A	1.5748
25	I	A	1.3785
26	C	A	0.0000
27	T	A	-0.5610
28	R	A	-2.2742
29	D	A	-2.6820