Project name: query_structure

Chain sequence(s)	E: IVGGYTCSAANSIP
Selected Chain(s)	E
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with E chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -0.6313
• Maximal score value: 2.8249
• Average score: 0.9743
• Total score value: 12.6665

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
16	I	E	2.8249
17	V	E	2.5649
18	G	E	0.9638
19	G	E	1.1224
20	Y	E	1.6440
21	T	E	0.9653
22	C	E	0.8839
23	A	E	0.4098
24	A	E	-0.1502
25	N	E	-0.6313
26	S	E	0.2914
27	I	E	1.5008
28	P	E	0.2768