Project name: query_structure

Chain sequence(s)	A: ACSKKWEYCIVPILGFVYCCPGLICGPFVCV
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -0.811
• Maximal score value: 3.8431
• Average score: 1.5565
• Total score value: 48.2511

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	A	A	0.5400
2	C	A	0.9252
3	S	A	0.0000
4	K	A	-0.8110
5	K	A	0.2027
6	W	A	0.9310
7	E	A	0.0616
8	Y	A	1.6743
9	C	A	0.0000
10	I	A	3.2068
11	V	A	3.4716
12	P	A	2.5769
13	I	A	3.2759
14	L	A	2.8893
15	G	A	2.4610
16	F	A	3.8431
17	V	A	3.4860
18	Y	A	2.9754
19	C	A	1.5498
20	C	A	0.4191
21	P	A	0.1491
22	G	A	0.2726
23	L	A	1.5417
24	I	A	2.8036
25	C	A	0.0000
26	G	A	1.8366
27	P	A	1.3150
28	F	A	2.6619
29	V	A	2.1601
30	C	A	0.0000
31	V	A	1.8318