Project name: query_structure

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

• Minimal score value: -2.999
• Maximal score value: 3.7152
• Average score: 0.9652
• Total score value: 27.9908

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	1.0917
2	S	A	-0.1545
3	C	A	-0.7943
4	K	A	-2.5402
5	D	A	-2.9990
6	K	A	-2.3217
7	V	A	-0.2098
8	C	A	0.0000
9	Y	A	1.2094
10	N	A	-0.3857
11	G	A	-0.1584
12	I	A	0.4580
13	P	A	-0.3414
14	C	A	0.2705
15	A	A	0.1388
16	E	A	-0.4417
17	S	A	0.9691
18	C	A	2.0381
19	V	A	2.5795
20	Y	A	2.6876
21	L	A	3.0047
22	P	A	2.3372
23	C	A	3.1802
24	V	A	3.2900
25	T	A	2.7997
26	I	A	3.4879
27	V	A	3.7152
28	I	A	3.4366
29	G	A	1.6433