Project name: query_structure

Chain sequence(s)	A: CIPSGQPCPYNENCCSQSCTGGRCD
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: -2.968
• Maximal score value: 0.3431
• Average score: -1.5621
• Total score value: -39.0525

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	0.3431
2	I	A	-0.3208
3	P	A	-0.9463
4	S	A	-1.6787
5	G	A	-1.7097
6	Q	A	-1.9188
7	P	A	-1.8421
8	C	A	-1.8245
9	P	A	-0.7484
10	Y	A	-0.7186
11	N	A	-2.4844
12	E	A	-2.9680
13	N	A	-2.2380
14	C	A	0.0000
15	C	A	-0.5778
16	S	A	-1.4801
17	Q	A	-2.5569
18	S	A	-2.3182
19	C	A	-2.4081
20	T	A	-1.6699
21	G	A	-1.4908
22	G	A	-1.8256
23	R	A	-2.8841
24	C	A	0.0000
25	D	A	-2.7858