Project name: query_structure

Chain sequence(s)	A: SECRYLFGGCKTTADCCKHLGCRTDLYYCAWDGTF
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: -2.3518
• Maximal score value: 2.8131
• Average score: -0.4645
• Total score value: -16.2572

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	-1.2467
2	E	A	-2.1848
3	C	A	-1.8296
4	R	A	-1.1309
5	Y	A	1.2893
6	L	A	2.2798
7	F	A	2.8131
8	G	A	0.6172
9	G	A	0.1053
10	C	A	0.0000
11	K	A	-2.0094
12	T	A	-1.3945
13	T	A	-1.1574
14	A	A	-1.0158
15	D	A	-2.3518
16	C	A	0.0000
17	C	A	-1.5682
18	K	A	-2.1034
19	H	A	-1.6841
20	L	A	0.0000
21	G	A	-0.6649
22	C	A	0.0000
23	R	A	-1.1077
24	T	A	-1.0703
25	D	A	-1.3110
26	L	A	0.7219
27	Y	A	0.3261
28	Y	A	0.7167
29	C	A	0.0000
30	A	A	0.0000
31	W	A	0.1169
32	D	A	-1.4399
33	G	A	-1.1745
34	T	A	-0.0411
35	F	A	1.2425