Project name: query_structure

Chain sequence(s)	A: GGSIPCIETCVWTGCFLVPGCSCKSDKKCYLN
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: -2.7559
• Maximal score value: 2.9477
• Average score: 0.2871
• Total score value: 9.1859

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	-0.6494
2	G	A	-0.3476
3	S	A	0.1485
4	I	A	1.9197
5	P	A	0.9460
6	C	A	1.9168
7	I	A	2.3704
8	E	A	1.2811
9	T	A	-0.0428
10	C	A	0.0000
11	V	A	0.4863
12	W	A	1.2402
13	T	A	0.8715
14	G	A	0.5580
15	C	A	1.4941
16	F	A	2.6192
17	L	A	2.9477
18	V	A	2.0582
19	P	A	0.7126
20	G	A	-0.0630
21	C	A	0.7318
22	S	A	-0.3690
23	C	A	-0.7565
24	K	A	-1.9052
25	S	A	-1.8433
26	D	A	-2.7559
27	K	A	-2.2620
28	K	A	-1.8337
29	C	A	0.0000
30	Y	A	0.1787
31	L	A	0.3805
32	N	A	-0.8470