Project name: query_structure

Chain sequence(s)	A: GSIPCGESCVYIPCISSLLGCSCKSKVCYKD
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.9761
• Maximal score value: 2.5086
• Average score: 0.3899
• Total score value: 12.0868

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	-0.5113
2	S	A	-0.4938
3	I	A	1.0310
4	P	A	0.1628
5	C	A	0.3584
6	G	A	-0.0814
7	E	A	0.1974
8	S	A	0.5554
9	C	A	1.1948
10	V	A	2.0392
11	Y	A	2.3600
12	I	A	2.1013
13	P	A	1.3218
14	C	A	0.0000
15	I	A	2.4931
16	S	A	1.7098
17	S	A	1.4788
18	L	A	2.5086
19	L	A	2.1815
20	G	A	0.3497
21	C	A	0.0000
22	S	A	-0.4889
23	C	A	-0.3768
24	K	A	-1.5266
25	S	A	-1.1409
26	K	A	-0.9652
27	V	A	-0.5367
28	C	A	0.0000
29	Y	A	-0.6974
30	K	A	-1.1617
31	D	A	-1.9761