Project name: query_structure

Chain sequence(s)	A: ECRYWLGGCSAGQTCCKHLVCSRRHGWCVWDGTFS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -2.9553
• Maximal score value: 1.821
• Average score: -0.4332
• Total score value: -15.1623

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	-1.8041
2	C	A	-1.0463
3	R	A	-0.3820
4	Y	A	1.2166
5	W	A	1.7984
6	L	A	1.8210
7	G	A	0.8105
8	G	A	0.0972
9	C	A	-0.2641
10	S	A	-0.7756
11	A	A	-0.6555
12	G	A	-0.7666
13	Q	A	-1.1496
14	T	A	-0.7249
15	C	A	-0.2902
16	C	A	0.0000
17	K	A	-1.9385
18	H	A	-1.5930
19	L	A	-0.1325
20	V	A	0.0923
21	C	A	-0.3027
22	S	A	-1.1010
23	R	A	-2.8122
24	R	A	-2.9553
25	H	A	-1.5012
26	G	A	-1.4130
27	W	A	0.2720
28	C	A	0.0000
29	V	A	0.0000
30	W	A	0.8188
31	D	A	-0.8618
32	G	A	-0.5601
33	T	A	0.0731
34	F	A	0.8636
35	S	A	0.0044