Project name: query_structure

Chain sequence(s)	A: RCLPSGKACAGVTQKIPCCGSCVRGKCS
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.0847
• Maximal score value: 1.1672
• Average score: -0.6941
• Total score value: -19.434

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	R	A	-1.6985
2	C	A	-0.5064
3	L	A	-0.5956
4	P	A	-0.7850
5	S	A	-0.9589
6	G	A	-1.4040
7	K	A	-1.7626
8	A	A	-1.3029
9	C	A	0.0000
10	A	A	-0.3234
11	G	A	0.1899
12	V	A	1.1672
13	T	A	-0.0550
14	Q	A	-1.1332
15	K	A	-2.0061
16	I	A	-0.7444
17	P	A	-0.2170
18	C	A	0.0000
19	C	A	0.3258
20	G	A	-0.1179
21	S	A	-0.3140
22	C	A	-0.2673
23	V	A	-0.5374
24	R	A	-1.9416
25	G	A	-1.3847
26	K	A	-2.0847
27	C	A	0.0000
28	S	A	-0.9763