Project name: query_structure

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

• Minimal score value: -3.3361
• Maximal score value: 3.0635
• Average score: -0.3043
• Total score value: -7.9112

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	A	A	-0.6828
2	N	A	-1.1132
3	N	A	-0.1568
4	I	A	2.5029
5	I	A	3.0635
6	I	A	2.5454
7	R	A	-0.8066
8	N	A	-1.2238
9	L	A	0.3760
10	K	A	-1.0642
11	I	A	0.8673
12	H	A	-0.7617
13	E	A	-1.0724
14	V	A	0.8435
15	A	A	-0.3284
16	S	A	-0.8702
17	G	A	-1.8749
18	D	A	-3.3361
19	K	A	-3.1304
20	D	A	-2.5390
21	A	A	-0.2980
22	I	A	1.3571
23	G	A	0.3521
24	I	A	1.3755
25	E	A	-0.9932
26	G	A	-0.9428