Project name: query_structure

Chain sequence(s)	A: PALCSCPHCAAAPTSGCCGPGCTNMS
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -0.789
• Maximal score value: 1.6471
• Average score: 0.1501
• Total score value: 3.9036

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	P	A	0.4632
2	A	A	0.6888
3	L	A	1.6471
4	C	A	1.5219
5	S	A	0.4803
6	C	A	0.2476
7	P	A	-0.4643
8	H	A	-0.7890
9	C	A	0.0711
10	A	A	-0.0812
11	A	A	-0.1533
12	A	A	-0.1778
13	P	A	-0.2488
14	T	A	-0.2777
15	S	A	-0.2629
16	G	A	-0.1654
17	C	A	0.5964
18	C	A	0.8931
19	G	A	0.0499
20	P	A	-0.2063
21	G	A	-0.2617
22	C	A	0.5552
23	T	A	-0.1949
24	N	A	-0.4264
25	M	A	0.4316
26	S	A	-0.0329