Project name: query_structure

Chain sequence(s)	A: PGCAFEGESCNVQFYPCCPGLGLTCIPGNPDGTCYYL
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -1.9324
• Maximal score value: 2.6712
• Average score: 0.3531
• Total score value: 13.0651

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	P	A	-0.0093
2	G	A	0.3919
3	C	A	1.2073
4	A	A	0.0000
5	F	A	0.8088
6	E	A	-0.8685
7	G	A	-1.2391
8	E	A	-1.7893
9	S	A	-0.8983
10	C	A	0.0000
11	N	A	0.2040
12	V	A	0.7491
13	Q	A	0.1200
14	F	A	2.2374
15	Y	A	1.8942
16	P	A	1.1406
17	C	A	0.6290
18	C	A	0.5917
19	P	A	0.2639
20	G	A	0.1243
21	L	A	1.5423
22	G	A	1.2927
23	L	A	0.0000
24	T	A	1.4379
25	C	A	0.5883
26	I	A	0.9327
27	P	A	-0.1045
28	G	A	0.0000
29	N	A	-1.7313
30	P	A	-1.4212
31	D	A	-1.9324
32	G	A	0.0000
33	T	A	-0.3146
34	C	A	0.0000
35	Y	A	1.9091
36	Y	A	2.6712
37	L	A	2.6372