Project name: query_structure

Chain sequence(s)	A: MHSFCAFKADDGPCRARFDRWFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMCTRD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -3.4291
• Maximal score value: 1.6077
• Average score: -1.4462
• Total score value: -83.879

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	0.0490
2	H	A	-0.2021
3	S	A	0.2670
4	F	A	0.5503
5	C	A	0.0000
6	A	A	0.6343
7	F	A	0.2569
8	K	A	-1.5373
9	A	A	-1.8611
10	D	A	-2.4941
11	D	A	-3.0612
12	G	A	-2.2090
13	P	A	-1.5019
14	C	A	-1.6499
15	R	A	-2.3170
16	A	A	-1.8434
17	R	A	-2.3169
18	F	A	-1.3913
19	D	A	-2.4504
20	R	A	-2.2863
21	W	A	-2.0194
22	F	A	-1.2813
23	F	A	0.0000
24	N	A	-0.4392
25	I	A	0.8845
26	F	A	1.6077
27	T	A	-0.1720
28	R	A	-1.5144
29	Q	A	-2.0279
30	C	A	-1.9425
31	E	A	-1.7302
32	E	A	-2.5219
33	F	A	-1.5461
34	I	A	-1.4760
35	Y	A	0.0000
36	G	A	0.0000
37	G	A	-1.5048
38	C	A	-1.5363
39	E	A	-2.5436
40	G	A	-2.5500
41	N	A	-1.7877
42	Q	A	-1.6331
43	N	A	0.0000
44	R	A	-2.0520
45	F	A	0.0000
46	E	A	-2.7399
47	S	A	-2.4951
48	L	A	-2.1351
49	E	A	-3.1751
50	E	A	-2.9750
51	C	A	0.0000
52	K	A	-3.4291
53	K	A	-3.4005
54	M	A	-1.5720
55	C	A	0.0000
56	T	A	-2.8399
57	R	A	-2.9588
58	D	A	-3.0079