Project name: query_structure

Chain sequence(s)	A: GTIFDCGETCFLGTCYTAGCSCGNWGLCYGTNG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -1.9884
• Maximal score value: 2.6801
• Average score: 0.3453
• Total score value: 11.3954

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	-1.0406
2	T	A	0.0381
3	I	A	1.0811
4	F	A	1.2302
5	D	A	-1.0253
6	C	A	-0.0556
7	G	A	-0.1036
8	E	A	0.2362
9	T	A	1.1151
10	C	A	0.0000
11	F	A	2.6801
12	L	A	2.3771
13	G	A	1.0162
14	T	A	1.0227
15	C	A	1.1268
16	Y	A	1.2375
17	T	A	0.3290
18	A	A	0.0932
19	G	A	-0.7817
20	C	A	-0.2184
21	S	A	0.0999
22	C	A	0.9471
23	G	A	0.3573
24	N	A	-0.4130
25	W	A	1.0490
26	G	A	1.3623
27	L	A	1.4609
28	C	A	0.0000
29	Y	A	0.5218
30	G	A	0.0000
31	T	A	-1.1129
32	N	A	-1.9884
33	G	A	-1.2467