Project name: query_structure

Chain sequence(s)	A: GIPCAESCVWIPCTVTALLGCSCKDKVCYLN
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.9546
• Maximal score value: 2.7562
• Average score: 0.5186
• Total score value: 16.0766

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	0.0727
2	I	A	1.7298
3	P	A	0.7040
4	C	A	1.1585
5	A	A	0.3759
6	E	A	0.3927
7	S	A	0.1370
8	C	A	0.5174
9	V	A	0.8854
10	W	A	2.1431
11	I	A	2.3971
12	P	A	1.3244
13	C	A	1.5505
14	T	A	1.6107
15	V	A	2.4510
16	T	A	0.0000
17	A	A	1.9187
18	L	A	2.7562
19	L	A	2.5308
20	G	A	1.1241
21	C	A	0.0000
22	S	A	-0.3642
23	C	A	-0.6617
24	K	A	-2.5923
25	D	A	-2.9546
26	K	A	-2.0277
27	V	A	-1.0578
28	C	A	0.0000
29	Y	A	-0.0231
30	L	A	0.7352
31	N	A	-0.7572