Project name: query_structure

Chain sequence(s)	A: GTVPCGESCVFIPCITGIAGCSCKNKVCYLN
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.1459
• Maximal score value: 2.8206
• Average score: 0.5465
• Total score value: 16.9411

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	-0.3114
2	T	A	0.5076
3	V	A	1.5348
4	P	A	0.5642
5	C	A	0.5707
6	G	A	-0.1848
7	E	A	0.0870
8	S	A	0.3507
9	C	A	1.0128
10	V	A	1.5455
11	F	A	2.8206
12	I	A	2.7698
13	P	A	1.5693
14	C	A	1.7699
15	I	A	2.5111
16	T	A	1.5911
17	G	A	1.3318
18	I	A	2.2662
19	A	A	1.1266
20	G	A	0.4198
21	C	A	0.0000
22	S	A	-0.0720
23	C	A	-0.4483
24	K	A	-1.6830
25	N	A	-2.1459
26	K	A	-1.5416
27	V	A	-0.7988
28	C	A	0.0000
29	Y	A	0.1053
30	L	A	0.4459
31	N	A	-0.7738