Project name: query_structure

Chain sequence(s)	A: EACNLPVRGPCIAFFPRWAFDAVKGKCVLFPYGGCQGNGNKFYSEKECREYCGVP
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.3945
• Maximal score value: 3.0661
• Average score: -0.4036
• Total score value: -22.1983

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	E	A	-2.0815
2	A	A	0.0000
3	C	A	-1.2462
4	N	A	-1.3103
5	L	A	-0.8669
6	P	A	-0.7851
7	V	A	-1.0659
8	R	A	-1.8462
9	G	A	0.0000
10	P	A	-0.3771
11	C	A	0.7457
12	I	A	2.4653
13	A	A	2.2953
14	F	A	3.0661
15	F	A	2.8560
16	P	A	1.4678
17	R	A	0.0000
18	W	A	0.1838
19	A	A	0.0000
20	F	A	-0.6772
21	D	A	-0.6851
22	A	A	-0.4905
23	V	A	0.3138
24	K	A	-1.6150
25	G	A	-1.6920
26	K	A	-2.3912
27	C	A	0.0000
28	V	A	-0.0237
29	L	A	1.1815
30	F	A	0.0000
31	P	A	1.1520
32	Y	A	0.9488
33	G	A	0.0000
34	G	A	0.4696
35	C	A	-0.3280
36	Q	A	-1.6946
37	G	A	-1.6203
38	N	A	-1.2822
39	G	A	-1.0633
40	N	A	0.0000
41	K	A	-0.4861
42	F	A	0.0000
43	Y	A	0.9047
44	S	A	-0.9044
45	E	A	-2.0093
46	K	A	-3.2616
47	E	A	-2.7340
48	C	A	0.0000
49	R	A	-3.3945
50	E	A	-2.6704
51	Y	A	-0.4785
52	C	A	-1.1189
53	G	A	-1.0780
54	V	A	0.9822
55	P	A	0.0471