Project name: query_structure

Chain sequence(s)	A: GFPTCGETCTLGTCNTPGCTCSWPICTRD
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)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.5492
• Maximal score value: 1.5942
• Average score: -0.183
• Total score value: -5.307

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	0.3975
2	F	A	1.0687
3	P	A	-0.5178
4	T	A	-0.3899
5	C	A	-0.8389
6	G	A	-0.7491
7	E	A	-0.6356
8	T	A	0.2568
9	C	A	0.0000
10	T	A	0.9541
11	L	A	1.5483
12	G	A	0.6673
13	T	A	0.2061
14	C	A	-0.3562
15	N	A	-1.3503
16	T	A	-1.1882
17	P	A	-0.9857
18	G	A	-1.5065
19	C	A	-1.4787
20	T	A	-0.5396
21	C	A	0.8186
22	S	A	0.7604
23	W	A	1.5942
24	P	A	1.0797
25	I	A	0.9087
26	C	A	0.0000
27	T	A	0.0000
28	R	A	-2.4817
29	D	A	-2.5492