Project name: REST_test

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FA19A
Energy difference between WT (input) and mutated protein (by FoldX)	0.521229 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                                                       (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -1.9046
• Maximal score value: 2.2658
• Average score: -0.0106
• Total score value: -0.4467

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	-1.7839
2	A	A	-0.6418
3	E	A	-1.4533
4	F	A	1.2594
5	R	A	-1.6672
6	H	A	-1.6567
7	D	A	-1.9046
8	S	A	-0.7013
9	G	A	-0.2605
10	Y	A	1.0080
11	E	A	-0.2359
12	V	A	1.4916
13	H	A	-0.6876
14	H	A	-1.2790
15	Q	A	-1.3091
16	K	A	-1.7486
17	L	A	1.0029
18	V	A	0.4185
19	A	A	0.4786	mutated: FA19A
20	F	A	2.1001
21	A	A	0.2528
22	E	A	-1.6454
23	D	A	-1.6047
24	V	A	0.4545
25	G	A	-0.3590
26	S	A	-0.5076
27	N	A	-1.5915
28	K	A	-1.8341
29	G	A	-0.3704
30	A	A	0.1081
31	I	A	1.5171
32	I	A	2.1401
33	G	A	0.4385
34	L	A	1.4916
35	M	A	0.6864
36	V	A	1.6574
37	G	A	-0.2066
38	G	A	-0.0910
39	V	A	1.9285
40	V	A	1.9602
41	I	A	2.2658
42	A	A	0.4330