Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCITAAIGCSCKSKVCYRN
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -1.9868
• Maximal score value: 2.8528
• Average score: 0.4217
• Total score value: 12.6508

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	-0.5687
2	I	A	1.0062
3	P	A	0.0735
4	C	A	0.5085
5	G	A	-0.1226
6	E	A	0.1821
7	S	A	0.5987
8	C	A	1.2507
9	V	A	2.4701
10	F	A	2.8528
11	I	A	2.0794
12	P	A	1.3860
13	C	A	1.5412
14	I	A	2.2809
15	T	A	1.4846
16	A	A	1.2055
17	A	A	1.4387
18	I	A	2.0504
19	G	A	0.3927
20	C	A	0.0000
21	S	A	-0.6038
22	C	A	-0.4800
23	K	A	-1.9868
24	S	A	-1.2327
25	K	A	-0.9783
26	V	A	-0.6404
27	C	A	0.0000
28	Y	A	-0.7657
29	R	A	-1.1285
30	N	A	-1.6437