Project name: query_structure

Chain sequence(s)	A: SAIACGESCVYIPCFIPGCSCRNRVCYLN
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -2.2761
• Maximal score value: 2.3249
• Average score: 0.4517
• Total score value: 13.1007

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	S	A	0.2778
2	A	A	0.5953
3	I	A	2.0276
4	A	A	0.9617
5	C	A	0.9290
6	G	A	0.0814
7	E	A	0.3884
8	S	A	0.4599
9	C	A	0.9385
10	V	A	1.8898
11	Y	A	2.2849
12	I	A	1.8940
13	P	A	1.3549
14	C	A	1.6129
15	F	A	2.3249
16	I	A	1.6408
17	P	A	0.5755
18	G	A	-0.1909
19	C	A	0.0000
20	S	A	-0.3452
21	C	A	-0.5741
22	R	A	-2.0628
23	N	A	-2.2761
24	R	A	-1.4368
25	V	A	-0.6682
26	C	A	0.0000
27	Y	A	0.3200
28	L	A	0.7151
29	N	A	-0.6176