Project name: query_structure

Chain sequence(s)	A: GIPCAESCVWIPCTVTALVGCSCSDKVCYN
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.                                          (00:00:11)

• Minimal score value: -2.1971
• Maximal score value: 2.8033
• Average score: 0.6981
• Total score value: 20.9439

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	0.1269
2	I	A	1.4766
3	P	A	0.6000
4	C	A	0.6509
5	A	A	0.1755
6	E	A	0.3742
7	S	A	0.3687
8	C	A	0.8950
9	V	A	1.3258
10	W	A	2.3302
11	I	A	2.5765
12	P	A	1.3828
13	C	A	1.5255
14	T	A	1.6310
15	V	A	2.4633
16	T	A	1.6958
17	A	A	1.5979
18	L	A	2.8033
19	V	A	2.4315
20	G	A	0.7281
21	C	A	0.0000
22	S	A	-0.3047
23	C	A	-0.0843
24	S	A	-1.1657
25	D	A	-2.1971
26	K	A	-1.4507
27	V	A	-0.4804
28	C	A	0.0000
29	Y	A	-0.1423
30	N	A	-0.3904