Project name: query_structure

Chain sequence(s)	A: SAISCGETCFKFKCYTPRCSCSYPVCK
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.1352
• Maximal score value: 1.9035
• Average score: -0.0197
• Total score value: -0.5332

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	-1.1081
2	A	A	-0.1155
3	I	A	1.5791
4	S	A	0.0417
5	C	A	-0.7233
6	G	A	-1.0830
7	E	A	-2.0616
8	T	A	-0.3993
9	C	A	0.0000
10	F	A	1.9035
11	K	A	0.3679
12	F	A	1.6427
13	K	A	0.3378
14	C	A	0.0000
15	Y	A	0.7853
16	T	A	-0.1337
17	P	A	-0.8873
18	R	A	-2.0130
19	C	A	0.0000
20	S	A	-0.5437
21	C	A	0.0000
22	S	A	0.6991
23	Y	A	1.6087
24	P	A	1.1277
25	V	A	0.5770
26	C	A	0.0000
27	K	A	-2.1352