Project name: query_structure

Chain sequence(s)	A: GSPRQCAETCFIGKCYTEELGCTCTAFLCMKN
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.5871
• Maximal score value: 3.2204
• Average score: -0.3003
• Total score value: -9.6086

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	-1.6978
2	S	A	-1.6153
3	P	A	-1.6268
4	R	A	-2.5871
5	Q	A	-2.3355
6	C	A	0.0000
7	A	A	-1.1795
8	E	A	-0.1183
9	T	A	1.2862
10	C	A	0.0000
11	F	A	3.2204
12	I	A	2.6848
13	G	A	1.0663
14	K	A	-0.4195
15	C	A	-0.0331
16	Y	A	0.1011
17	T	A	-1.0160
18	E	A	-2.2725
19	E	A	-1.9779
20	L	A	-0.6862
21	G	A	-1.5035
22	C	A	0.0000
23	T	A	-0.8238
24	C	A	0.6079
25	T	A	0.5026
26	A	A	1.3756
27	F	A	2.8636
28	L	A	1.2245
29	C	A	0.0000
30	M	A	-1.0135
31	K	A	-1.9129
32	N	A	-1.7224