Project name: query_structure

Chain sequence(s)	A: CPGEGEQCDVEFNPCCPPLTCIPGDPYGICYII
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -2.4724
• Maximal score value: 3.5774
• Average score: 0.2475
• Total score value: 8.1682

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	0.5512
2	P	A	-0.7929
3	G	A	-1.1746
4	E	A	-1.9604
5	G	A	-1.9909
6	E	A	-2.4724
7	Q	A	-1.6055
8	C	A	0.0000
9	D	A	0.0000
10	V	A	1.0012
11	E	A	-0.4374
12	F	A	1.0660
13	N	A	0.1202
14	P	A	0.4607
15	C	A	0.3371
16	C	A	0.5168
17	P	A	0.0079
18	P	A	0.2827
19	L	A	1.4672
20	T	A	1.9763
21	C	A	1.2440
22	I	A	1.6563
23	P	A	0.2431
24	G	A	0.0000
25	D	A	-1.3656
26	P	A	-0.6479
27	Y	A	0.3079
28	G	A	0.0000
29	I	A	0.1749
30	C	A	0.0000
31	Y	A	2.1896
32	I	A	3.5774
33	I	A	3.4353