Project name: 71bd422ff471a69 [mutate: SA5A, VR7A]

Chain sequence(s)	A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	SA5A,VR7A
Energy difference between WT (input) and mutated protein (by FoldX)	3.34673 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                                       (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:19)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.7755
• Maximal score value: 0.7347
• Average score: -1.456
• Total score value: -80.0825

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
5	A	A	-1.4095	mutated: SA5A
6	A	A	-1.2492
7	R	A	-1.5212	mutated: VR7A
8	K	A	-1.4598
9	A	A	0.0000
10	L	A	-0.8434
11	F	A	-0.6826
12	D	A	-2.2491
13	Y	A	0.0000
14	K	A	-2.5614
15	A	A	-2.4622
16	Q	A	-3.0739
17	R	A	-3.7755
18	E	A	-3.3459
19	D	A	-2.7205
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-1.2412
23	F	A	0.0000
24	T	A	-1.5372
25	K	A	-1.7824
26	S	A	-1.0058
27	A	A	0.0000
28	I	A	0.7347
29	I	A	0.0000
30	Q	A	-1.5622
31	N	A	-2.5629
32	V	A	-2.3081
33	E	A	-3.0337
34	K	A	-3.2800
35	Q	A	-2.6419
36	D	A	-2.5722
37	G	A	-1.6797
38	G	A	-1.3364
39	W	A	-0.9905
40	W	A	-1.5971
41	R	A	-1.8890
42	G	A	0.0000
43	D	A	-1.7725
44	Y	A	-0.7279
45	G	A	-0.8150
46	G	A	-1.3495
47	K	A	-1.8851
48	K	A	-2.6696
49	Q	A	-1.9781
50	L	A	-1.2260
51	W	A	-0.8782
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-1.3234
55	N	A	-1.2389
56	Y	A	-0.8939
57	V	A	0.0000
58	E	A	-2.9169
59	E	A	-2.7677