Project name: dag10 [mutate: AD28A]

Chain sequence(s)	A: YAEGTFTSDYSIALDKIAQQEFVQWLLAGGPSSGAPPPS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	AD28A
Energy difference between WT (input) and mutated protein (by FoldX)	0.214767 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                                                       (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:10)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.1431
• Maximal score value: 1.0936
• Average score: -0.3888
• Total score value: -15.1624

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	Y	A	0.8701
2	A	A	0.0724
3	E	A	-1.2344
4	G	A	-0.6012
5	T	A	-0.0527
6	F	A	1.0936
7	T	A	0.2207
8	S	A	0.0239
9	D	A	-0.4644
10	Y	A	1.0009
11	S	A	0.5415
12	I	A	0.6168
13	A	A	0.2096
14	L	A	0.4055
15	D	A	-1.7624
16	K	A	-1.6699
17	I	A	0.0408
18	A	A	-1.1223
19	Q	A	-2.1431
20	Q	A	-2.0061
21	E	A	-1.7420
22	F	A	-0.2708
23	V	A	0.1422
24	Q	A	-1.1465
25	W	A	-0.4473
26	L	A	0.8340
27	L	A	0.8649
28	D	A	-1.0301	mutated: AD28A
29	G	A	-0.5745
30	G	A	0.0000
31	P	A	-0.6938
32	S	A	-0.7379
33	S	A	-0.7079
34	G	A	-0.9565
35	A	A	-0.6730
36	P	A	-0.5096
37	P	A	-0.4078
38	P	A	-0.6055
39	S	A	-0.5396