Project name: query_structure

Chain sequence(s)	A: AIPCGESCVWIPCISAAIGCSCKNKVCYR
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]                                                (00:00:01)
[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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -2.2545
• Maximal score value: 2.3968
• Average score: 0.2697
• Total score value: 7.8208

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	0.3188
2	I	A	1.3547
3	P	A	0.2392
4	C	A	0.3364
5	G	A	-0.2140
6	E	A	0.1321
7	S	A	0.1513
8	C	A	0.6976
9	V	A	0.9824
10	W	A	2.0302
11	I	A	2.3968
12	P	A	1.4581
13	C	A	0.0000
14	I	A	2.3867
15	S	A	1.2835
16	A	A	1.0035
17	A	A	1.3834
18	I	A	1.8624
19	G	A	0.2517
20	C	A	0.0000
21	S	A	-0.5700
22	C	A	-0.8048
23	K	A	-2.0588
24	N	A	-2.2545
25	K	A	-1.7233
26	V	A	-1.1286
27	C	A	0.0000
28	Y	A	-0.6955
29	R	A	-0.9985