Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCTVTALLGCSCKDKVCYKN
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.8672
• Maximal score value: 2.862
• Average score: 0.2609
• Total score value: 8.0871

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	-0.4412
2	I	A	1.1525
3	P	A	0.2117
4	C	A	0.5338
5	G	A	-0.0300
6	E	A	0.1345
7	S	A	0.0394
8	C	A	0.5929
9	V	A	1.3849
10	F	A	2.8620
11	I	A	2.6750
12	P	A	1.3376
13	C	A	0.0000
14	T	A	1.4320
15	V	A	2.3910
16	T	A	0.0000
17	A	A	1.5149
18	L	A	2.4910
19	L	A	2.0420
20	G	A	0.4902
21	C	A	0.0000
22	S	A	-0.5289
23	C	A	-0.7993
24	K	A	-2.4782
25	D	A	-2.8672
26	K	A	-1.9408
27	V	A	-1.1420
28	C	A	0.0000
29	Y	A	-0.7061
30	K	A	-0.8138
31	N	A	-1.4508