Project name: query_structure

Chain sequence(s)	A: YPVRCLLPSAHGSCADWAARWYFVASVGQCNRFWYGGCHGNANNFASEQECMSSCQGS
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -1.9846
• Maximal score value: 2.3935
• Average score: -0.256
• Total score value: -14.8506

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	1.4912
2	P	A	1.2529
3	V	A	2.3053
4	R	A	0.7971
5	C	A	0.0000
6	L	A	2.3935
7	L	A	1.2845
8	P	A	0.1541
9	S	A	-0.2515
10	A	A	-0.5831
11	H	A	-0.6262
12	G	A	-0.7599
13	S	A	-0.4754
14	C	A	-0.1462
15	A	A	-0.3770
16	D	A	-1.0275
17	W	A	0.3800
18	A	A	0.2242
19	A	A	-0.1715
20	R	A	-0.8026
21	W	A	-1.2100
22	Y	A	-0.5010
23	F	A	0.0000
24	V	A	0.5662
25	A	A	0.9716
26	S	A	0.7701
27	V	A	1.4078
28	G	A	0.4089
29	Q	A	-0.3543
30	C	A	0.0000
31	N	A	-1.2885
32	R	A	-1.9276
33	F	A	0.0000
34	W	A	0.5571
35	Y	A	-0.0882
36	G	A	0.0000
37	G	A	-0.5667
38	C	A	-0.5190
39	H	A	-1.1419
40	G	A	-1.0469
41	N	A	-0.8184
42	A	A	-0.0201
43	N	A	0.0000
44	N	A	-0.7494
45	F	A	0.0000
46	A	A	-0.8733
47	S	A	-1.4009
48	E	A	-1.8758
49	Q	A	-1.9141
50	E	A	-1.9846
51	C	A	0.0000
52	M	A	-1.2192
53	S	A	-1.3764
54	S	A	-1.0021
55	C	A	0.0000
56	Q	A	-1.3355
57	G	A	-0.9325
58	S	A	-0.4478