Project name: query_structure

Chain sequence(s)	A: GCLEFWWKCNPNDDKCCRPKLKCSKLFKLCNFSF
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -3.6274
• Maximal score value: 2.3983
• Average score: -0.8092
• Total score value: -27.5138

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	G	A	-0.7136
2	C	A	-0.5514
3	L	A	-0.4441
4	E	A	0.0225
5	F	A	1.9197
6	W	A	1.8881
7	W	A	0.1982
8	K	A	-1.9112
9	C	A	0.0000
10	N	A	-3.6274
11	P	A	-2.8580
12	N	A	-2.8771
13	D	A	-3.5413
14	D	A	-3.6119
15	K	A	-3.4605
16	C	A	0.0000
17	C	A	-1.5520
18	R	A	-2.8680
19	P	A	-1.6611
20	K	A	-1.7152
21	L	A	-0.7072
22	K	A	-2.1873
23	C	A	-1.6324
24	S	A	-0.6701
25	K	A	-1.4619
26	L	A	1.1756
27	F	A	1.2522
28	K	A	-1.3774
29	L	A	-0.6265
30	C	A	0.0000
31	N	A	0.7513
32	F	A	1.7266
33	S	A	1.2093
34	F	A	2.3983