Project name: query_structure

Chain sequence(s)	A: SANSNPALAPRERKAGCKNFFWKTYTSC
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.                                          (00:00:18)

• Minimal score value: -4.2106
• Maximal score value: 2.3872
• Average score: -0.7156
• Total score value: -20.0378

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	-0.5382
2	A	A	-0.8870
3	N	A	-1.8071
4	S	A	-1.2300
5	N	A	-1.5537
6	P	A	-0.4432
7	A	A	0.1932
8	L	A	0.8269
9	A	A	-0.4566
10	P	A	-1.4695
11	R	A	-3.3964
12	E	A	-4.2106
13	R	A	-4.1952
14	K	A	-3.3342
15	A	A	-1.9063
16	G	A	-1.4447
17	C	A	-0.7051
18	K	A	-1.1664
19	N	A	-0.4683
20	F	A	1.9256
21	F	A	2.3872
22	W	A	1.5767
23	K	A	-0.2915
24	T	A	0.3003
25	Y	A	1.1270
26	T	A	0.3742
27	S	A	0.3314
28	C	A	0.4237