Project name: query_structure

Chain sequence(s)	A: GGCCSHPACAAAAGNSNMCGGCCSHPACAAAAGNSNMC
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -1.7154
• Maximal score value: 0.4131
• Average score: -0.4045
• Total score value: -15.3695

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	-0.2993
2	G	A	-0.0395
3	C	A	0.0000
4	C	A	0.4131
5	S	A	-0.1789
6	H	A	-0.3810
7	P	A	-0.3310
8	A	A	-0.1644
9	C	A	0.0000
10	A	A	-0.2751
11	A	A	-0.3127
12	A	A	-0.2335
13	A	A	0.0000
14	G	A	-1.0864
15	N	A	-1.7154
16	S	A	-1.1743
17	N	A	-1.4643
18	M	A	-0.3141
19	C	A	-0.0973
20	G	A	-0.3029
21	G	A	-0.2917
22	C	A	0.0000
23	C	A	0.2725
24	S	A	-0.4057
25	H	A	-0.6230
26	P	A	-0.4321
27	A	A	-0.2268
28	C	A	0.0000
29	A	A	-0.2875
30	A	A	-0.3593
31	A	A	-0.2167
32	A	A	0.0000
33	G	A	-1.0307
34	N	A	-1.6708
35	S	A	-1.0381
36	N	A	-1.2732
37	M	A	-0.0090
38	C	A	0.1796