Project name: a beta 42 [mutate: FL19A, FL20A]

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	FL20A,FL19A
Energy difference between WT (input) and mutated protein (by FoldX)	0.338412 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                                                       (00:00:37)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:46)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -3.0405
• Maximal score value: 3.8439
• Average score: 0.1214
• Total score value: 5.0994

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	-2.7208
2	A	A	-2.4197
3	E	A	-2.5528
4	F	A	-0.9687
5	R	A	-2.7365
6	H	A	-3.0405
7	D	A	-2.5866
8	S	A	-1.3307
9	G	A	-0.5977
10	Y	A	-0.1734
11	E	A	-0.9301
12	V	A	0.5733
13	H	A	-1.0437
14	H	A	-1.0730
15	Q	A	-0.3299
16	K	A	-0.9826
17	L	A	0.4159
18	V	A	0.3328
19	L	A	1.4079	mutated: FL19A
20	L	A	1.5587	mutated: FL20A
21	A	A	0.3529
22	E	A	-0.9989
23	D	A	-1.3254
24	V	A	-0.4831
25	G	A	-1.3222
26	S	A	-1.4813
27	N	A	-1.9666
28	K	A	-1.7458
29	G	A	-0.2449
30	A	A	0.2965
31	I	A	2.3380
32	I	A	3.1878
33	G	A	2.2914
34	L	A	3.0356
35	M	A	3.4113
36	V	A	2.9301
37	G	A	1.9799
38	G	A	1.8506
39	V	A	3.0303
40	V	A	3.8439
41	I	A	3.4830
42	A	A	1.8344