Project name: 6416decaca61bf0 [mutate: QE20A, QR24A, MS27A, ND28A]

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,ND28A,QR24A,MS27A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.141476 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:36)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -3.9171
• Maximal score value: 1.2129
• Average score: -1.1721
• Total score value: -33.9901

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	0.1270
8	S	A	-0.7206
9	D	A	-1.3898
10	Y	A	-0.0618
11	S	A	-1.2003
12	K	A	-2.5556
13	Y	A	-1.4773
14	L	A	-1.9493
15	D	A	-3.7368
16	S	A	-2.8561
17	R	A	-3.9147
18	R	A	-3.9171
19	A	A	-2.1884
20	E	A	-2.8924	mutated: QE20A
21	D	A	-2.4759
22	F	A	0.6228
23	V	A	0.9668
24	R	A	-1.1290	mutated: QR24A
25	W	A	0.7192
26	L	A	1.2129
27	S	A	-0.2164	mutated: MS27A
28	D	A	-1.1318	mutated: ND28A
29	T	A	-0.3335