Project name: query_structure

Chain sequence(s)	A: GFGCPGNQLKCNNHCKSISCRAGYCDAATLWLRCTCTDCNGKK
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -3.0432
• Maximal score value: 1.7041
• Average score: -0.6877
• Total score value: -29.5696

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	G	A	-0.4255
2	F	A	0.8097
3	G	A	-0.1422
4	C	A	-0.1480
5	P	A	-0.2102
6	G	A	-0.8422
7	N	A	-0.9301
8	Q	A	-0.5345
9	L	A	0.0997
10	K	A	-1.3242
11	C	A	0.0000
12	N	A	-1.0399
13	N	A	-1.8554
14	H	A	-0.8303
15	C	A	0.0000
16	K	A	-2.3893
17	S	A	-0.8171
18	I	A	0.9802
19	S	A	-0.6660
20	C	A	-1.8174
21	R	A	-3.0432
22	A	A	-1.6711
23	G	A	-0.5855
24	Y	A	0.6531
25	C	A	0.0000
26	D	A	0.0433
27	A	A	0.6845
28	A	A	0.4344
29	T	A	0.7031
30	L	A	1.7041
31	W	A	0.9242
32	L	A	0.5358
33	R	A	-0.8823
34	C	A	-0.1661
35	T	A	0.1534
36	C	A	-0.4373
37	T	A	-0.8896
38	D	A	-2.4360
39	C	A	-2.0035
40	N	A	-2.8549
41	G	A	-2.5640
42	K	A	-2.9968
43	K	A	-2.7925