Project name: try [mutate: SA16A, RA17A, QE20A, DE21A, QK24A, ME27A, NS28A]

Chain sequence(s)	A: HSQGTFTSDYSKYLDSRRAQDFVQWLMNT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QE20A,DE21A,RA17A,SA16A,QK24A,ME27A,NS28A
Energy difference between WT (input) and mutated protein (by FoldX)	0.855359 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:12)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:39)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:51)

• Minimal score value: -3.0039
• Maximal score value: 1.0575
• Average score: -0.8716
• Total score value: -25.2761

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	H	A	-1.3473
2	S	A	-1.3319
3	Q	A	-1.3803
4	G	A	-0.4572
5	T	A	-0.0328
6	F	A	1.0575
7	T	A	0.1870
8	S	A	-0.6416
9	D	A	-1.2394
10	Y	A	0.1557
11	S	A	-0.8192
12	K	A	-1.9917
13	Y	A	-0.4077
14	L	A	-1.0074
15	D	A	-2.9497
16	A	A	-1.6999	mutated: SA16A
17	A	A	-1.9859	mutated: RA17A
18	R	A	-3.0039
19	A	A	-1.6400
20	E	A	-2.5117	mutated: QE20A
21	E	A	-2.3442	mutated: DE21A
22	F	A	0.6847
23	V	A	0.5758
24	K	A	-1.2928	mutated: QK24A
25	W	A	0.7234
26	L	A	0.8801
27	E	A	-1.0619	mutated: ME27A
28	S	A	-0.3394	mutated: NS28A
29	T	A	-0.0544