Project name: query_structure

Chain sequence(s)	A: SIPCGESCVFIPCTVTALLGCSCKSKVCYKN
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.8192
• Maximal score value: 2.9777
• Average score: 0.5505
• Total score value: 17.0664

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	S	A	-0.2236
2	I	A	1.3329
3	P	A	0.2499
4	C	A	0.5822
5	G	A	-0.2755
6	E	A	0.1501
7	S	A	0.3787
8	C	A	1.0001
9	V	A	1.6780
10	F	A	2.9777
11	I	A	2.9425
12	P	A	1.5043
13	C	A	1.3909
14	T	A	1.5829
15	V	A	2.5624
16	T	A	0.0000
17	A	A	1.6520
18	L	A	2.6534
19	L	A	2.2697
20	G	A	0.6376
21	C	A	0.4355
22	S	A	-0.5659
23	C	A	-0.3340
24	K	A	-1.8192
25	S	A	-1.3514
26	K	A	-1.1196
27	V	A	-0.5288
28	C	A	0.0000
29	Y	A	-0.5101
30	K	A	-0.7917
31	N	A	-1.3946