Project name: query_structure

Chain sequence(s)	A: PSAVNMTPPAVNMTPSAVNMTPPAVNMT
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.                                          (00:00:05)

• Minimal score value: -0.0992
• Maximal score value: 1.4085
• Average score: 0.4236
• Total score value: 11.8608

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	-0.0992
2	S	A	-0.0150
3	A	A	0.4930
4	V	A	1.3741
5	N	A	0.0551
6	M	A	0.7824
7	T	A	0.1535
8	P	A	-0.0258
9	P	A	0.1050
10	A	A	0.4751
11	V	A	1.3568
12	N	A	0.0456
13	M	A	0.7777
14	T	A	0.1295
15	P	A	0.0280
16	S	A	0.1215
17	A	A	0.4780
18	V	A	1.4085
19	N	A	0.0415
20	M	A	0.8232
21	T	A	0.1227
22	P	A	-0.0034
23	P	A	0.1548
24	A	A	0.4966
25	V	A	1.3666
26	N	A	0.0469
27	M	A	0.8987
28	T	A	0.2694