Project name: query_structure

Chain sequence(s)	A: ECRKMFGGCSVDSDCCAHLGCKPTLKYCAWDGTF
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -1.9085
• Maximal score value: 1.5279
• Average score: -0.6294
• Total score value: -21.3995

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	-1.9085
2	C	A	-1.2617
3	R	A	-1.6433
4	K	A	-1.2981
5	M	A	0.5658
6	F	A	1.5279
7	G	A	-0.0938
8	G	A	-0.2227
9	C	A	-0.7697
10	S	A	-0.3718
11	V	A	0.1271
12	D	A	-1.6052
13	S	A	-0.8946
14	D	A	-1.1517
15	C	A	-1.2790
16	C	A	-0.9380
17	A	A	-0.8159
18	H	A	-1.5021
19	L	A	-1.4346
20	G	A	-1.5995
21	C	A	0.0000
22	K	A	-0.8815
23	P	A	-0.5944
24	T	A	-0.1073
25	L	A	0.1608
26	K	A	-1.0176
27	Y	A	-0.2503
28	C	A	0.0000
29	A	A	-0.4793
30	W	A	-0.4407
31	D	A	-1.4739
32	G	A	-1.0958
33	T	A	0.0338
34	F	A	1.3161