Project name: EP092_agg

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

• Minimal score value: -2.8368
• Maximal score value: 2.0368
• Average score: -0.1516
• Total score value: -2.7295

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	C	A	0.3543
2	N	A	-0.6159
3	I	A	0.5923
4	I	A	1.0855
5	Q	A	0.3435
6	F	A	2.0368
7	V	A	1.0556
8	H	A	-0.7056
9	G	A	-1.6267
10	E	A	-2.8368
11	E	A	-2.3895
12	D	A	-0.2113
13	L	A	1.2289
14	K	A	0.0494
15	V	A	0.4889
16	Q	A	-0.9654
17	H	A	-0.8359
18	C	A	0.2224