Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCITGIAGCSCKSKVCYRN
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.0399
• Maximal score value: 2.8068
• Average score: 0.2797
• Total score value: 8.3924

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	-0.6520
2	I	A	0.9197
3	P	A	0.0183
4	C	A	0.0376
5	G	A	-0.3811
6	E	A	0.0469
7	S	A	0.3515
8	C	A	1.0409
9	V	A	1.6586
10	F	A	2.8068
11	I	A	2.7625
12	P	A	1.5512
13	C	A	1.7303
14	I	A	2.4910
15	T	A	1.2578
16	G	A	1.0967
17	I	A	2.2235
18	A	A	0.8376
19	G	A	-0.1780
20	C	A	0.0000
21	S	A	-0.7271
22	C	A	-0.6821
23	K	A	-2.0399
24	S	A	-1.3974
25	K	A	-1.2703
26	V	A	-0.6864
27	C	A	0.0000
28	Y	A	-0.8588
29	R	A	-1.8086
30	N	A	-1.7568