Project name: CMProt B1 Model1

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]                                                (00:00:00)
[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.                                          (00:00:08)

• Minimal score value: 0.0903
• Maximal score value: 4.5952
• Average score: 2.6828
• Total score value: 53.6567

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	1.2138
2	S	A	1.7273
3	L	A	3.4586
4	F	A	3.8333
5	T	A	3.2742
6	F	A	4.5952
7	L	A	4.5012
8	C	A	4.3005
9	L	A	4.4798
10	A	A	3.4221
11	V	A	3.7312
12	F	A	4.0424
13	I	A	2.6620
14	N	A	1.1161
15	G	A	1.1527
16	C	A	1.7189
17	L	A	1.9305
18	S	A	0.5623
19	Q	A	0.0903
20	I	A	1.8443