Project name: query_structure

Chain sequence(s)	A: YPVRCLPSAHGSCADWAARWYFVASVGQCNRFWYGGCHGNANNFASEQECMSSCQGS
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.2596
• Maximal score value: 1.871
• Average score: -0.4487
• Total score value: -25.5753

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	Y	A	1.7102
2	P	A	1.0249
3	V	A	1.8710
4	R	A	0.4026
5	C	A	0.0000
6	L	A	0.8288
7	P	A	-0.1605
8	S	A	-0.5110
9	A	A	-0.6603
10	H	A	-0.7756
11	G	A	-0.8259
12	S	A	-0.5095
13	C	A	-0.1591
14	A	A	-0.2337
15	D	A	-0.9659
16	W	A	0.4874
17	A	A	0.2865
18	A	A	-0.1031
19	R	A	-0.8299
20	W	A	-1.3851
21	Y	A	-0.8526
22	F	A	-0.5656
23	V	A	0.1643
24	A	A	0.3497
25	S	A	0.5786
26	V	A	1.2075
27	G	A	-0.0666
28	Q	A	-0.9714
29	C	A	0.0000
30	N	A	-2.1477
31	R	A	-2.2596
32	F	A	0.0000
33	W	A	0.5776
34	Y	A	-0.0734
35	G	A	0.0000
36	G	A	-0.5293
37	C	A	-0.5414
38	H	A	-1.1763
39	G	A	-1.1252
40	N	A	-0.6488
41	A	A	-0.0309
42	N	A	0.0000
43	N	A	-0.7053
44	F	A	-0.9301
45	A	A	-0.7464
46	S	A	-1.3686
47	E	A	-1.9944
48	Q	A	-1.8971
49	E	A	-1.9256
50	C	A	0.0000
51	M	A	-1.3715
52	S	A	-1.3769
53	S	A	-1.1577
54	C	A	0.0000
55	Q	A	-1.7182
56	G	A	-1.1352
57	S	A	-0.6290