Project name: MMP9-PSA-AEEA

Chain sequence(s)	A: GGSGGTPLGLWAAEEAHSSKLQGSGG
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.8773
• Maximal score value: 2.2305
• Average score: -0.553
• Total score value: -14.3773

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	G	A	-0.7394
2	G	A	-0.8959
3	S	A	-0.8624
4	G	A	-0.9104
5	G	A	-0.6463
6	T	A	-0.1555
7	P	A	0.2773
8	L	A	1.4391
9	G	A	1.2482
10	L	A	2.2305
11	W	A	1.8942
12	A	A	0.6159
13	A	A	-0.9378
14	E	A	-2.6632
15	E	A	-2.8773
16	A	A	-1.7400
17	H	A	-1.4813
18	S	A	-1.1401
19	S	A	-1.0403
20	K	A	-1.3313
21	L	A	-0.0177
22	Q	A	-1.0565
23	G	A	-0.9399
24	S	A	-1.0119
25	G	A	-0.8959
26	G	A	-0.7394