Project name: query_structure

Chain sequence(s)	A: GGCCSHPACAAAAGALGGCCSHPACAAAAGCL
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -0.9839
• Maximal score value: 1.7873
• Average score: 0.0614
• Total score value: 1.9663

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	-0.7121
2	G	A	-0.5893
3	C	A	-0.1390
4	C	A	0.2841
5	S	A	-0.5167
6	H	A	-0.9839
7	P	A	-0.5125
8	A	A	-0.2326
9	C	A	-0.0764
10	A	A	-0.1299
11	A	A	0.0079
12	A	A	0.0022
13	A	A	0.1149
14	G	A	-0.2437
15	A	A	0.1948
16	L	A	0.5778
17	G	A	-0.1938
18	G	A	-0.0728
19	C	A	0.3859
20	C	A	0.5175
21	S	A	-0.0707
22	H	A	-0.2733
23	P	A	-0.2748
24	A	A	-0.0128
25	C	A	0.1495
26	A	A	0.0902
27	A	A	0.2111
28	A	A	0.4372
29	A	A	0.5028
30	G	A	0.4324
31	C	A	1.3050
32	L	A	1.7873