Project name: d744809fd56732d [mutate: SC5A]

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	SC5A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.150156 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                                                       (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:17)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -3.7769
• Maximal score value: 0.8214
• Average score: -1.3508
• Total score value: -74.2919

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	C	A	-0.5651	mutated: SC5A
6	A	A	-0.7087
7	V	A	0.0000
8	K	A	-1.3527
9	A	A	0.0000
10	L	A	-0.8311
11	F	A	-0.6863
12	D	A	-2.2509
13	Y	A	0.0000
14	K	A	-2.5614
15	A	A	-2.4630
16	Q	A	-3.0746
17	R	A	-3.7769
18	E	A	-3.3481
19	D	A	-2.7245
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-1.2412
23	F	A	0.0000
24	T	A	-1.5380
25	K	A	-1.7846
26	S	A	-0.9857
27	A	A	0.0000
28	I	A	0.8214
29	I	A	0.0000
30	Q	A	-1.0943
31	N	A	-1.9763
32	V	A	-1.8409
33	E	A	-2.8038
34	K	A	-3.1333
35	Q	A	-2.5808
36	D	A	-2.5437
37	G	A	-1.6654
38	G	A	-1.3253
39	W	A	-0.9770
40	W	A	-1.5733
41	R	A	-1.8160
42	G	A	0.0000
43	D	A	-1.6597
44	Y	A	-0.6692
45	G	A	-0.8153
46	G	A	-1.3497
47	K	A	-1.8861
48	K	A	-2.6198
49	Q	A	-1.9143
50	L	A	-1.2235
51	W	A	-0.8754
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-1.2957
55	N	A	-1.2402
56	Y	A	-0.8760
57	V	A	0.0000
58	E	A	-2.8632
59	E	A	-2.6023