Project name: INF-H4

Chain sequence(s)	A: GLFRAIRGFIRNGWHGMRHGWYC
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.0623
• Maximal score value: 2.044
• Average score: 0.1963
• Total score value: 4.514

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	0.4663
2	L	A	1.8924
3	F	A	1.9259
4	R	A	-0.0270
5	A	A	1.0533
6	I	A	1.9328
7	R	A	-0.1392
8	G	A	0.0022
9	F	A	1.1202
10	I	A	1.1618
11	R	A	-1.2424
12	N	A	-1.6744
13	G	A	-0.1336
14	W	A	0.1145
15	H	A	-1.5811
16	G	A	-0.8119
17	M	A	-0.2838
18	R	A	-2.0623
19	H	A	-1.4308
20	G	A	-0.0824
21	W	A	1.1864
22	Y	A	2.0440
23	C	A	1.0831