Project name: query_structure

Chain sequence(s)	A: NCAKEGEVCGWGSKCCHGLDCPLAFIPYCEKYR
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -3.7956
• Maximal score value: 3.6264
• Average score: -0.6117
• Total score value: -20.1871

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	N	A	-1.3300
2	C	A	-0.7360
3	A	A	0.0000
4	K	A	-3.1694
5	E	A	-3.7956
6	G	A	-2.4719
7	E	A	-2.1836
8	V	A	-0.2374
9	C	A	0.0000
10	G	A	1.1859
11	W	A	1.5215
12	G	A	-0.3180
13	S	A	-1.0139
14	K	A	-1.8287
15	C	A	0.0000
16	C	A	-0.8453
17	H	A	-1.2350
18	G	A	-1.4574
19	L	A	-2.3547
20	D	A	-2.0131
21	C	A	-1.0697
22	P	A	0.5244
23	L	A	2.0802
24	A	A	2.5477
25	F	A	3.4595
26	I	A	3.6264
27	P	A	0.0000
28	Y	A	-0.0713
29	C	A	0.0000
30	E	A	-3.2773
31	K	A	-2.8300
32	Y	A	-1.0301
33	R	A	-1.8643