Project name: query_structure

Chain sequence(s)	A: MHSFCAFKADDGPCRAAHPRWFFNIFTRQCEEFSYGGCGGNQNRFESLEECKKMCTRD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.3459
• Maximal score value: 1.5959
• Average score: -1.281
• Total score value: -74.2982

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	M	A	0.0502
2	H	A	-0.4933
3	S	A	0.1039
4	F	A	0.3872
5	C	A	0.0000
6	A	A	0.5476
7	F	A	0.2215
8	K	A	-1.5294
9	A	A	-1.8973
10	D	A	-2.2555
11	D	A	-2.7203
12	G	A	-1.7232
13	P	A	-1.1728
14	C	A	-1.1532
15	R	A	-2.0870
16	A	A	-1.2243
17	A	A	-0.9668
18	H	A	-1.5160
19	P	A	-1.4148
20	R	A	-1.8584
21	W	A	-1.9219
22	F	A	-1.2912
23	F	A	0.0000
24	N	A	-0.4578
25	I	A	0.8479
26	F	A	1.5959
27	T	A	-0.1893
28	R	A	-1.5312
29	Q	A	-2.0284
30	C	A	-1.9268
31	E	A	-1.7807
32	E	A	-2.3934
33	F	A	-1.4507
34	S	A	-1.5536
35	Y	A	0.0000
36	G	A	0.0000
37	G	A	-1.1539
38	C	A	-0.8878
39	G	A	-1.1853
40	G	A	-1.9061
41	N	A	-1.4851
42	Q	A	-1.5409
43	N	A	0.0000
44	R	A	-1.9094
45	F	A	0.0000
46	E	A	-2.5792
47	S	A	-2.2112
48	L	A	-2.0603
49	E	A	-3.0398
50	E	A	-2.7443
51	C	A	0.0000
52	K	A	-3.3459
53	K	A	-3.2650
54	M	A	-1.5393
55	C	A	0.0000
56	T	A	-2.7155
57	R	A	-2.9749
58	D	A	-2.9712