Project name: query_structure

Chain sequence(s)	A: GDLPVCGETCFGGTCNTPGCVCAWPVCTR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -1.1756
• Maximal score value: 2.051
• Average score: 0.3816
• Total score value: 11.0663

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	-0.8741
2	D	A	-0.9973
3	L	A	0.8982
4	P	A	0.6067
5	V	A	1.2717
6	C	A	0.4730
7	G	A	0.3217
8	E	A	-0.0899
9	T	A	0.4039
10	C	A	0.0000
11	F	A	1.9615
12	G	A	0.5600
13	G	A	0.6614
14	T	A	0.3273
15	C	A	-0.0991
16	N	A	-1.1756
17	T	A	-0.9037
18	P	A	-0.7378
19	G	A	-0.8115
20	C	A	-0.0604
21	V	A	1.3663
22	C	A	1.4777
23	A	A	1.4165
24	W	A	2.0510
25	P	A	1.4696
26	V	A	1.6527
27	C	A	0.0000
28	T	A	0.6867
29	R	A	-0.7902