Project name: query_structure

Chain sequence(s)	A: ECLGFGKGCNPSNDQCCKSSNLVCSRAHRWCKYEI
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -3.6955
• Maximal score value: 1.2697
• Average score: -1.3414
• Total score value: -46.949

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	E	A	-1.6352
2	C	A	-1.0590
3	L	A	-0.6426
4	G	A	-0.4539
5	F	A	0.9214
6	G	A	-0.7994
7	K	A	-1.8873
8	G	A	-2.1875
9	C	A	-2.4320
10	N	A	-2.8320
11	P	A	-2.5347
12	S	A	-1.7607
13	N	A	-2.3058
14	D	A	-2.3204
15	Q	A	-2.1250
16	C	A	0.0000
17	C	A	-0.9399
18	K	A	-2.1420
19	S	A	-1.3077
20	S	A	-0.9623
21	N	A	-1.6276
22	L	A	0.0000
23	V	A	-0.9734
24	C	A	0.0000
25	S	A	-2.3366
26	R	A	-2.8553
27	A	A	-1.8336
28	H	A	-2.5140
29	R	A	-3.6955
30	W	A	-2.1615
31	C	A	0.0000
32	K	A	-0.6693
33	Y	A	0.4661
34	E	A	-0.6120
35	I	A	1.2697