Project name: query_structure

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

• Minimal score value: -2.5338
• Maximal score value: 2.4913
• Average score: 0.0705
• Total score value: 2.1859

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	I	A	2.1576
2	A	A	1.4332
3	S	A	1.2034
4	S	A	0.9827
5	I	A	2.4913
6	C	A	1.5760
7	P	A	1.6494
8	I	A	2.3307
9	T	A	0.8859
10	V	A	0.0000
11	C	A	0.7901
12	S	A	0.2923
13	G	A	-0.2423
14	G	A	0.2539
15	C	A	-0.0784
16	P	A	0.3944
17	I	A	1.6929
18	G	A	0.1077
19	N	A	-0.8471
20	M	A	-0.2211
21	A	A	-0.8359
22	E	A	-1.8899
23	C	A	0.0000
24	N	A	-2.0137
25	M	A	-0.9083
26	V	A	-0.9109
27	E	A	-2.2853
28	E	A	-2.5338
29	S	A	-1.3858
30	C	A	-0.7156
31	G	A	-1.1875