Project name: EP076_agg

Chain sequence(s)	A: TCAASSGLMTKKNSTFC
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)                                                   (00:00:01)
[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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -2.8117
• Maximal score value: 2.0528
• Average score: -0.1049
• Total score value: -1.7832

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	T	A	0.4049
2	C	A	0.0000
3	A	A	0.9149
4	A	A	0.5595
5	S	A	-0.0097
6	S	A	-0.2231
7	G	A	-0.0770
8	L	A	0.1507
9	M	A	0.7267
10	T	A	-0.7764
11	K	A	-2.2508
12	K	A	-2.8117
13	N	A	-2.0140
14	S	A	-0.3786
15	T	A	0.8839
16	F	A	2.0528
17	C	A	1.0647