Project name: query_structure

Chain sequence(s)	A: APGQCNHGRCPSGLCCSQYGYCGTGPAYCG
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.                                          (00:00:08)

• Minimal score value: -2.7158
• Maximal score value: 1.0281
• Average score: -0.3882
• Total score value: -11.6456

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	-0.4727
2	P	A	-0.6214
3	G	A	-0.5617
4	Q	A	-1.4186
5	C	A	-1.6931
6	N	A	-2.6816
7	H	A	-2.5120
8	G	A	-2.1237
9	R	A	-2.7158
10	C	A	0.0000
11	P	A	-0.7990
12	S	A	-0.6134
13	G	A	-0.2264
14	L	A	0.4839
15	C	A	0.5173
16	C	A	0.1315
17	S	A	0.0000
18	Q	A	-0.1372
19	Y	A	0.9707
20	G	A	-0.1014
21	Y	A	0.5249
22	C	A	0.1368
23	G	A	0.0000
24	T	A	0.3336
25	G	A	0.1653
26	P	A	-0.0452
27	A	A	0.3203
28	Y	A	1.0281
29	C	A	0.6757
30	G	A	-0.2105