Project name: cac8acca16c6a43 [mutate: QC24A] [mutate: ND28A] [mutate: QE20A, CR24A, DD28A] [mutate: LP26A] [mutate: MS27A]

Chain sequence(s)	A: HSQGTFTSDYSKYLDSRRAEDFVRWPMDT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	MS27A
Energy difference between WT (input) and mutated protein (by FoldX)	0.502547 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                                        (00:00:25)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.6323
• Maximal score value: 1.0583
• Average score: -1.2485
• Total score value: -36.2055

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	-1.3317
3	Q	A	-1.3796
4	G	A	-0.4559
5	T	A	-0.0318
6	F	A	1.0583
7	T	A	0.1281
8	S	A	-0.7188
9	D	A	-1.3889
10	Y	A	-0.0613
11	S	A	-1.2074
12	K	A	-2.5122
13	Y	A	-1.4241
14	L	A	-1.8353
15	D	A	-3.5137
16	S	A	-2.6846
17	R	A	-3.6323
18	R	A	-3.2909
19	A	A	-1.8781
20	E	A	-2.7102
21	D	A	-1.9599
22	F	A	0.3726
23	V	A	0.5681
24	R	A	-1.4119
25	W	A	0.0761
26	P	A	-0.2420
27	S	A	-0.9023	mutated: MS27A
28	D	A	-1.6476
29	T	A	-0.8409