Project name: query_structure

Chain sequence(s)	A: DKLIGSCVWGAVNYTSNCNAECKRRGYKGGHCGSFANVNCWCET
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -4.1987
• Maximal score value: 1.6462
• Average score: -0.756
• Total score value: -33.265

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	D	A	-2.6273
2	K	A	-1.8335
3	L	A	-0.2624
4	I	A	-0.1266
5	G	A	0.0000
6	S	A	0.0000
7	C	A	0.4035
8	V	A	1.3773
9	W	A	1.6462
10	G	A	0.7415
11	A	A	1.0761
12	V	A	1.4769
13	N	A	-0.0121
14	Y	A	0.6330
15	T	A	-0.1675
16	S	A	-0.5912
17	N	A	-1.8975
18	C	A	0.0000
19	N	A	-2.7818
20	A	A	-2.6119
21	E	A	0.0000
22	C	A	0.0000
23	K	A	-4.1987
24	R	A	-3.7779
25	R	A	-3.0963
26	G	A	-2.6081
27	Y	A	-2.7740
28	K	A	-3.1473
29	G	A	0.0000
30	G	A	-2.3290
31	H	A	-1.6574
32	C	A	-0.3972
33	G	A	-0.3460
34	S	A	0.3965
35	F	A	1.4822
36	A	A	0.5398
37	N	A	-0.4007
38	V	A	0.6964
39	N	A	0.1085
40	C	A	0.0000
41	W	A	-1.2357
42	C	A	0.0000
43	E	A	-3.1150
44	T	A	-1.8478