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]                                                (00:00:00)
[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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.9242
• Maximal score value: 3.0006
• Average score: 0.3046
• Total score value: 9.4422

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	-0.5188
2	I	A	1.1525
3	P	A	0.1556
4	C	A	0.4779
5	G	A	-0.2996
6	E	A	0.3554
7	S	A	0.2304
8	C	A	0.7542
9	V	A	1.4194
10	F	A	2.9546
11	I	A	3.0006
12	P	A	1.5388
13	C	A	1.3888
14	T	A	1.5801
15	V	A	2.5575
16	T	A	0.0000
17	A	A	1.5473
18	L	A	2.5796
19	L	A	2.0731
20	G	A	0.4814
21	C	A	0.0000
22	S	A	-0.8588
23	C	A	-0.7509
24	K	A	-2.7584
25	D	A	-2.9242
26	K	A	-1.8782
27	V	A	-1.0866
28	C	A	0.0000
29	Y	A	-0.9145
30	K	A	-1.0660
31	N	A	-1.7490