Project name: query_structure

Chain sequence(s)	D: EICLLPLDYGPCRALLLRYYYDRYTQSCRQFLYGGCEGNANNFYTWEACDDACWRI
Selected Chain(s)	D
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 D 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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.6084
• Maximal score value: 2.1862
• Average score: -0.272
• Total score value: -15.2293

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
3	E	D	-0.9449
4	I	D	0.2370
5	C	D	0.0000
6	L	D	0.4689
7	L	D	0.2540
8	P	D	0.1782
9	L	D	0.6206
10	D	D	-0.3318
11	Y	D	0.6936
12	G	D	-0.7680
13	P	D	-0.8730
14	C	D	-0.6796
15	R	D	-1.1868
16	A	D	0.4736
17	L	D	2.1862
18	L	D	2.1592
19	L	D	1.8043
20	R	D	1.0117
21	Y	D	-0.2126
22	Y	D	0.0000
23	Y	D	-0.7558
24	D	D	0.0000
25	R	D	-1.2389
26	Y	D	0.0976
27	T	D	-0.7952
28	Q	D	-1.3295
29	S	D	-1.3582
30	C	D	0.0000
31	R	D	-2.2322
32	Q	D	-1.2398
33	F	D	0.0000
34	L	D	1.8409
35	Y	D	0.0000
36	G	D	0.0000
37	G	D	-0.0604
38	C	D	-1.1195
39	E	D	-1.9510
40	G	D	-1.1843
41	N	D	-0.6570
42	A	D	-0.3456
43	N	D	0.0000
44	N	D	0.4396
45	F	D	0.5247
46	Y	D	1.3647
47	T	D	0.0455
48	W	D	-0.9154
49	E	D	-2.1455
50	A	D	-1.1514
51	C	D	0.0000
52	D	D	-2.5075
53	D	D	-2.6084
54	A	D	-0.9856
55	C	D	0.0000
56	W	D	-0.3611
57	R	D	-0.6722
58	I	D	0.9816