Project name: a beta 42 [mutate: FA19A, FA20A] [mutate: FA20A]

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
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)	1.1199 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                                                       (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
[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                                                       (00:01:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.0663
• Maximal score value: 3.8449
• Average score: 0.01
• Total score value: 0.4183

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	D	A	-2.7234
2	A	A	-2.4232
3	E	A	-2.5698
4	F	A	-0.9930
5	R	A	-2.7524
6	H	A	-3.0663
7	D	A	-2.6470
8	S	A	-1.3777
9	G	A	-0.6319
10	Y	A	-0.2762
11	E	A	-1.1259
12	V	A	0.4333
13	H	A	-1.1192
14	H	A	-1.1008
15	Q	A	-0.6251
16	K	A	-1.0635
17	L	A	0.3487
18	V	A	0.0099
19	F	A	1.0799
20	A	A	0.3609	mutated: FA20A
21	A	A	-0.1291
22	E	A	-1.3591
23	D	A	-1.7343
24	V	A	-0.5842
25	G	A	-1.3791
26	S	A	-1.5827
27	N	A	-2.1092
28	K	A	-1.7247
29	G	A	-0.2226
30	A	A	0.3033
31	I	A	2.3244
32	I	A	3.1794
33	G	A	2.2928
34	L	A	3.0370
35	M	A	3.4128
36	V	A	2.9309
37	G	A	1.9805
38	G	A	1.8506
39	V	A	3.0303
40	V	A	3.8449
41	I	A	3.4841
42	A	A	1.8350