Project name: query_structure

Chain sequence(s)	A: GCAGKACNLLGLTCDAGCFCRPDGVGIVAGVCV
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.74
• Maximal score value: 2.0357
• Average score: 0.1985
• Total score value: 6.5516

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	-0.2697
2	C	A	-0.2625
3	A	A	-0.6935
4	G	A	-1.3044
5	K	A	-1.7400
6	A	A	-1.1550
7	C	A	0.0000
8	N	A	0.1787
9	L	A	1.5924
10	L	A	1.9434
11	G	A	0.9851
12	L	A	1.6624
13	T	A	0.6103
14	C	A	-0.1946
15	D	A	-1.2659
16	A	A	-0.4744
17	G	A	-0.2004
18	C	A	0.5828
19	F	A	1.9377
20	C	A	0.0000
21	R	A	-0.2952
22	P	A	0.0149
23	D	A	-1.2532
24	G	A	-0.0158
25	V	A	1.5881
26	G	A	0.9515
27	I	A	1.4163
28	V	A	2.0357
29	A	A	0.4011
30	G	A	-0.6865
31	V	A	-0.3725
32	C	A	0.0000
33	V	A	0.8348