Project name: PDE8B_shortest

Chain sequence(s)	A: MGCAPSIHVSQSGVIYCRDSDESSSP
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -3.1448
• Maximal score value: 4.0681
• Average score: 0.2065
• Total score value: 5.3678

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	M	A	0.2219
2	G	A	-0.1762
3	C	A	0.4934
4	A	A	0.2719
5	P	A	0.0113
6	S	A	0.0168
7	I	A	1.9442
8	H	A	1.9964
9	V	A	3.1070
10	S	A	1.1045
11	Q	A	-0.5567
12	S	A	0.0744
13	G	A	0.9618
14	V	A	2.9214
15	I	A	4.0681
16	Y	A	3.1206
17	C	A	1.5707
18	R	A	-0.8804
19	D	A	-1.8449
20	S	A	-2.1829
21	D	A	-3.0645
22	E	A	-3.1448
23	S	A	-1.7513
24	S	A	-1.4265
25	S	A	-0.8367
26	P	A	-0.6517