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	FR19A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.872212 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                                        (00:00:48)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -1.9366
• Maximal score value: 2.2646
• Average score: -0.0691
• Total score value: -2.9019

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	-1.6536
7	D	A	-1.8959
8	S	A	-0.6981
9	G	A	-0.2605
10	Y	A	0.9951
11	E	A	-0.3034
12	V	A	1.4787
13	H	A	-0.6828
14	H	A	-1.1108
15	Q	A	-0.7473
16	K	A	-1.6371
17	L	A	0.9853
18	V	A	0.0476
19	R	A	-1.4415	mutated: FR19A
20	F	A	1.7366
21	A	A	0.2389
22	E	A	-1.7305
23	D	A	-1.8389
24	V	A	0.4241
25	G	A	-0.3566
26	S	A	-0.5076
27	N	A	-1.6352
28	K	A	-1.9366
29	G	A	-0.3906
30	A	A	0.1059
31	I	A	1.5051
32	I	A	2.1379
33	G	A	0.4386
34	L	A	1.4920
35	M	A	0.6881
36	V	A	1.6577
37	G	A	-0.2065
38	G	A	-0.0916
39	V	A	1.9273
40	V	A	1.9535
41	I	A	2.2646
42	A	A	0.4330