Project name: query_structure

Chain sequence(s)	A: CGETCFGGTCNTPGCSCTWPICTRDGLPV
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -2.1298
• Maximal score value: 1.9217
• Average score: -0.0038
• Total score value: -0.1108

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	C	A	0.4096
2	G	A	0.1285
3	E	A	0.0979
4	T	A	0.5718
5	C	A	0.0000
6	F	A	1.9217
7	G	A	0.4924
8	G	A	0.4187
9	T	A	-0.0459
10	C	A	-0.5648
11	N	A	-1.4129
12	T	A	-1.1328
13	P	A	-0.9880
14	G	A	-1.5712
15	C	A	-1.1327
16	S	A	-0.7480
17	C	A	0.4944
18	T	A	0.8663
19	W	A	1.5982
20	P	A	1.1973
21	I	A	1.2750
22	C	A	0.0000
23	T	A	0.0000
24	R	A	-1.6688
25	D	A	-2.1298
26	G	A	-0.9374
27	L	A	0.5832
28	P	A	0.6445
29	V	A	1.5220