Project name: query_structure

Chain sequence(s)	A: CKSPGSSCSPTSYNCCRSCNPYTKRCY
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.7477
• Maximal score value: 0.703
• Average score: -0.8426
• Total score value: -22.7504

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	C	A	0.0811
2	K	A	-1.1559
3	S	A	-1.1809
4	P	A	-1.3667
5	G	A	-1.5849
6	S	A	-1.4862
7	S	A	-1.9584
8	C	A	-1.5229
9	S	A	-1.0091
10	P	A	-0.6048
11	T	A	-0.0161
12	S	A	-0.0590
13	Y	A	0.7030
14	N	A	-0.2777
15	C	A	-0.8149
16	C	A	-0.4858
17	R	A	-1.5033
18	S	A	-0.9819
19	C	A	0.0000
20	N	A	-1.0496
21	P	A	-0.6018
22	Y	A	0.4096
23	T	A	-0.8682
24	K	A	-2.4011
25	R	A	-2.7477
26	C	A	0.0000
27	Y	A	-0.2672