Project name: query_structure

Chain sequence(s)	A: GSLCGDTCFVLGCNDSSCSCNYPICVKD
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -2.0343
• Maximal score value: 3.5912
• Average score: 0.2589
• Total score value: 7.2499

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	-1.1660
2	S	A	-0.2231
3	L	A	0.9608
4	C	A	-0.1305
5	G	A	-0.1767
6	D	A	0.2235
7	T	A	1.4940
8	C	A	0.0000
9	F	A	3.4943
10	V	A	3.5912
11	L	A	2.7452
12	G	A	1.2945
13	C	A	-0.1417
14	N	A	-1.7425
15	D	A	-1.9589
16	S	A	-1.2095
17	S	A	-1.2489
18	C	A	0.0000
19	S	A	-0.5566
20	C	A	0.4656
21	N	A	0.1033
22	Y	A	1.6669
23	P	A	1.5729
24	I	A	1.5082
25	C	A	0.0000
26	V	A	0.0644
27	K	A	-1.3462
28	D	A	-2.0343