Project name: a beta 42 [mutate: FA20A]

Chain sequence(s)	A: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FA20A
Energy difference between WT (input) and mutated protein (by FoldX)	1.05807 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                                       (00:00:16)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:19)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.2079
• Maximal score value: 4.0616
• Average score: 0.7553
• Total score value: 24.169

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
11	E	A	-1.1922
12	V	A	0.3727
13	H	A	-1.2791
14	H	A	-1.6693
15	Q	A	-2.0342
16	K	A	-1.3296
17	L	A	1.5950
18	V	A	3.0866
19	F	A	3.7815
20	A	A	1.5178	mutated: FA20A
21	A	A	-0.2202
22	E	A	-2.2079
23	D	A	-1.9202
24	V	A	-0.1003
25	G	A	-0.3905
26	S	A	-1.0979
27	N	A	-1.9872
28	K	A	-1.9822
29	G	A	-0.3205
30	A	A	0.7022
31	I	A	3.2549
32	I	A	4.0616
33	G	A	2.2687
34	L	A	3.0773
35	M	A	3.1988
36	V	A	2.5194
37	G	A	0.9708
38	G	A	0.9736
39	V	A	2.9950
40	V	A	3.4564
41	I	A	2.8702
42	A	A	1.1978