Project name: INF3 Aggrescan3D

Chain sequence(s)	A: GLFRAIRGFIRNGWRGMRRGWYC
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -2.7192
• Maximal score value: 1.9487
• Average score: -0.3749
• Total score value: -8.6228

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	0.6180
2	L	A	1.9487
3	F	A	1.8309
4	R	A	-0.4924
5	A	A	0.4489
6	I	A	1.6381
7	R	A	-0.6762
8	G	A	-1.1016
9	F	A	0.3118
10	I	A	0.9288
11	R	A	-1.4521
12	N	A	-1.8827
13	G	A	-0.5245
14	W	A	-0.3504
15	R	A	-2.7192
16	G	A	-2.2720
17	M	A	-1.4259
18	R	A	-2.2562
19	R	A	-2.4683
20	G	A	-1.1543
21	W	A	0.5362
22	Y	A	1.0812
23	C	A	0.8104