Project name: query_structure

Chain sequence(s)	A: CSCSNQVCYRNGVPCAESCVYIPCISTVLG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -1.6958
• Maximal score value: 2.9897
• Average score: 0.5857
• Total score value: 17.5716

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	C	A	0.1874
2	S	A	-0.1993
3	C	A	0.1005
4	S	A	-0.6225
5	N	A	-1.6329
6	Q	A	-1.2192
7	V	A	0.1141
8	C	A	0.0000
9	Y	A	-0.2581
10	R	A	-1.5912
11	N	A	-1.6958
12	G	A	-0.6571
13	V	A	0.7421
14	P	A	0.3155
15	C	A	0.0000
16	A	A	0.2941
17	E	A	-0.8301
18	S	A	0.5164
19	C	A	1.5036
20	V	A	2.3409
21	Y	A	2.3662
22	I	A	2.3480
23	P	A	1.8407
24	C	A	0.0000
25	I	A	2.8151
26	S	A	2.1756
27	T	A	1.9809
28	V	A	2.9897
29	L	A	2.6512
30	G	A	0.9958