Project name: query_structure

Chain sequence(s)	A: SCGGSCFGGCWPGCSCYARTCFRDGLP
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -2.0339
• Maximal score value: 1.4257
• Average score: 0.126
• Total score value: 3.4021

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	-0.0169
2	C	A	0.3985
3	G	A	-0.0064
4	G	A	-0.0405
5	S	A	0.0812
6	C	A	0.7092
7	F	A	1.4257
8	G	A	0.4105
9	G	A	0.1607
10	C	A	0.6732
11	W	A	0.8446
12	P	A	-0.0276
13	G	A	-0.1325
14	C	A	0.1548
15	S	A	0.5917
16	C	A	1.2501
17	Y	A	1.3108
18	A	A	0.1581
19	R	A	-0.8231
20	T	A	0.1062
21	C	A	0.0000
22	F	A	0.9278
23	R	A	-0.9076
24	D	A	-2.0339
25	G	A	-1.1533
26	L	A	-0.3123
27	P	A	-0.3469