Project name: pradeep [mutate: EG22A]

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	EG22A
Energy difference between WT (input) and mutated protein (by FoldX)	0.750105 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                                                       (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:21)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.0082
• Maximal score value: 2.4846
• Average score: 0.0841
• Total score value: 3.5306

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	-1.7787
2	A	A	-0.5972
3	E	A	-1.4559
4	F	A	1.2718
5	R	A	-1.6684
6	H	A	-1.6509
7	D	A	-2.0082
8	S	A	-0.6234
9	G	A	-0.2678
10	Y	A	0.9394
11	E	A	-1.1132
12	V	A	0.8885
13	H	A	-1.0415
14	H	A	-1.3883
15	Q	A	-1.5413
16	K	A	-0.7705
17	L	A	1.7083
18	V	A	2.4097
19	F	A	2.4846
20	F	A	2.1549
21	A	A	0.3546
22	G	A	-0.4122	mutated: EG22A
23	D	A	-1.1996
24	V	A	-0.0862
25	G	A	-0.4728
26	S	A	-0.4834
27	N	A	-1.2757
28	K	A	-1.6333
29	G	A	-0.7149
30	A	A	0.0492
31	I	A	0.4042
32	I	A	0.8251
33	G	A	-0.0473
34	L	A	1.5424
35	M	A	1.3239
36	V	A	2.0276
37	G	A	0.1531
38	G	A	-0.1981
39	V	A	2.2041
40	V	A	2.4563
41	I	A	2.3408
42	A	A	0.4209