Project name: query_structure

Chain sequence(s)	A: GSPIQCAETCFIGKCYTEELGCTCTAFLCMKN
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.2472
• Maximal score value: 3.2803
• Average score: 0.1765
• Total score value: 5.6477

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	-1.1546
2	S	A	-0.3432
3	P	A	0.3923
4	I	A	1.2371
5	Q	A	-0.5702
6	C	A	0.0000
7	A	A	0.2401
8	E	A	0.4014
9	T	A	1.5002
10	C	A	0.0000
11	F	A	3.2803
12	I	A	2.7607
13	G	A	1.2385
14	K	A	-0.3781
15	C	A	-0.0321
16	Y	A	0.1056
17	T	A	-0.9744
18	E	A	-2.2472
19	E	A	-1.9044
20	L	A	-0.4912
21	G	A	-1.2403
22	C	A	0.0000
23	T	A	-0.7733
24	C	A	0.8727
25	T	A	0.9473
26	A	A	1.4836
27	F	A	2.9768
28	L	A	1.8301
29	C	A	0.0000
30	M	A	-0.3492
31	K	A	-1.3519
32	N	A	-1.8089