Project name: query_structure

Chain sequence(s)	A: YEEYCTANAVTGPCRASFPRWYFDVERNSCNNFIYGGCRGNKNSYRSEEACMLRCFRQ
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.0527
• Maximal score value: 1.1163
• Average score: -1.0714
• Total score value: -62.1399

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	-1.0167
2	E	A	-2.3468
3	E	A	-2.8486
4	Y	A	-1.7509
5	C	A	0.0000
6	T	A	-1.1660
7	A	A	-1.5112
8	N	A	-1.3739
9	A	A	-0.6560
10	V	A	-0.1944
11	T	A	-0.0802
12	G	A	-0.8018
13	P	A	-0.9212
14	C	A	-1.0942
15	R	A	-1.5691
16	A	A	-0.5310
17	S	A	0.1804
18	F	A	0.7004
19	P	A	0.0074
20	R	A	-0.8439
21	W	A	-1.3038
22	Y	A	-0.9072
23	F	A	0.0000
24	D	A	-1.5077
25	V	A	-0.6333
26	E	A	-2.4274
27	R	A	-3.0527
28	N	A	-2.0690
29	S	A	-1.3582
30	C	A	0.0000
31	N	A	-1.9417
32	N	A	-1.6968
33	F	A	0.2189
34	I	A	1.1163
35	Y	A	0.4371
36	G	A	0.0000
37	G	A	-0.5091
38	C	A	-1.1046
39	R	A	-1.9158
40	G	A	-1.5762
41	N	A	-1.9713
42	K	A	-2.4562
43	N	A	0.0000
44	S	A	-1.3751
45	Y	A	-1.8527
46	R	A	-2.4040
47	S	A	-2.3002
48	E	A	-2.6936
49	E	A	-2.3506
50	A	A	-1.3654
51	C	A	0.0000
52	M	A	-0.4562
53	L	A	-0.4891
54	R	A	-0.9329
55	C	A	0.0000
56	F	A	-0.1027
57	R	A	-1.7130
58	Q	A	-1.6280