Project name: 30e53692d494c20

Chain sequence(s)	A: YTDDGETLMEEALRQQELEQRDTICYRN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -4.2298
• Maximal score value: 0.6566
• Average score: -1.9828
• Total score value: -55.5173

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	0.6566
2	T	A	-0.8775
3	D	A	-2.4159
4	D	A	-1.9364
5	G	A	-2.0923
6	E	A	-2.7513
7	T	A	-1.6605
8	L	A	-0.4390
9	M	A	-0.6791
10	E	A	-2.5542
11	E	A	-2.9659
12	A	A	-1.5435
13	L	A	-1.4120
14	R	A	-3.5303
15	Q	A	-3.6090
16	Q	A	-3.9781
17	E	A	-4.2298
18	L	A	-2.9472
19	E	A	-3.8884
20	Q	A	-3.4822
21	R	A	-3.0144
22	D	A	-2.5226
23	T	A	-1.3449
24	I	A	-0.0288
25	C	A	-0.0864
26	Y	A	0.2904
27	R	A	-1.2641
28	N	A	-1.2105