Project name: query_structure

Chain sequence(s)	A: CIAHYGKCDGIINQCCDPWLCTPPIIGFCL
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.                                          (00:00:10)

• Minimal score value: -0.6974
• Maximal score value: 2.9424
• Average score: 0.8635
• Total score value: 25.9043

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	0.5205
2	I	A	0.0761
3	A	A	0.0222
4	H	A	-0.0497
5	Y	A	1.4587
6	G	A	0.2219
7	K	A	-0.6974
8	C	A	0.0000
9	D	A	-0.4409
10	G	A	1.2783
11	I	A	2.0539
12	I	A	0.6604
13	N	A	-0.5259
14	Q	A	-0.6664
15	C	A	0.0000
16	C	A	0.3102
17	D	A	0.0657
18	P	A	0.7377
19	W	A	1.8650
20	L	A	1.9540
21	C	A	1.3981
22	T	A	1.3725
23	P	A	1.2554
24	P	A	1.5023
25	I	A	2.9424
26	I	A	2.5579
27	G	A	1.5233
28	F	A	2.0618
29	C	A	0.0000
30	L	A	2.4463