Project name: query_structure

Chain sequence(s)	A: GPSFCKADEKPCEYHADCCNCCLSGICAPSTNWILPGCSTSSFFKI
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.818
• Maximal score value: 2.5743
• Average score: -0.0215
• Total score value: -0.9905

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	-0.4322
2	P	A	-0.0942
3	S	A	0.4934
4	F	A	1.6410
5	C	A	0.6701
6	K	A	-1.0900
7	A	A	-1.6580
8	D	A	-2.5944
9	E	A	-2.8180
10	K	A	-2.3753
11	P	A	-1.1642
12	C	A	-0.8295
13	E	A	-1.1353
14	Y	A	0.2664
15	H	A	-0.0460
16	A	A	0.2218
17	D	A	-0.0036
18	C	A	0.0000
19	C	A	0.3314
20	N	A	-0.7746
21	C	A	0.0000
22	C	A	0.0000
23	L	A	-0.1088
24	S	A	-0.2126
25	G	A	-0.6304
26	I	A	-0.8834
27	C	A	0.0000
28	A	A	-1.0703
29	P	A	-0.9352
30	S	A	-0.1894
31	T	A	0.0000
32	N	A	-0.2288
33	W	A	1.6469
34	I	A	2.5743
35	L	A	1.6914
36	P	A	0.4591
37	G	A	0.1134
38	C	A	-0.1312
39	S	A	-0.3516
40	T	A	-0.0057
41	S	A	0.4532
42	S	A	0.7704
43	F	A	2.4202
44	F	A	2.4046
45	K	A	0.7661
46	I	A	1.8485