Project name: CMProt B1 Model2

Chain sequence(s)	A: SSLFTFLCLAVFINGCLSQI
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: 0.2958
• Maximal score value: 4.4826
• Average score: 2.634
• Total score value: 52.6807

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	S	A	0.9569
2	S	A	1.7363
3	L	A	3.4931
4	F	A	3.8537
5	T	A	3.0615
6	F	A	4.4233
7	L	A	4.4826
8	C	A	3.6808
9	L	A	4.1322
10	A	A	3.2462
11	V	A	3.2756
12	F	A	3.6899
13	I	A	3.2135
14	N	A	1.0732
15	G	A	1.2648
16	C	A	1.2761
17	L	A	2.1974
18	S	A	1.3783
19	Q	A	0.2958
20	I	A	1.9495