Project name: query_structure

Chain sequence(s)	A: GTIFDCGESCFLGTCYTAGCSCGNWGLCYGTNG
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.                                          (00:00:07)

• Minimal score value: -1.9924
• Maximal score value: 2.6514
• Average score: 0.3404
• Total score value: 11.2345

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	-1.0361
2	T	A	-0.0080
3	I	A	1.0752
4	F	A	1.2273
5	D	A	-1.0505
6	C	A	-0.0750
7	G	A	-0.1366
8	E	A	0.1392
9	S	A	1.0010
10	C	A	0.0000
11	F	A	2.6514
12	L	A	2.3620
13	G	A	0.8851
14	T	A	1.0091
15	C	A	1.1062
16	Y	A	1.2464
17	T	A	0.3033
18	A	A	0.0610
19	G	A	-0.8181
20	C	A	-0.2163
21	S	A	0.2568
22	C	A	1.0068
23	G	A	0.4118
24	N	A	-0.3796
25	W	A	1.0737
26	G	A	1.3920
27	L	A	1.5479
28	C	A	0.0000
29	Y	A	0.5528
30	G	A	0.0000
31	T	A	-1.0955
32	N	A	-1.9924
33	G	A	-1.2664