Project name: query_structure

Chain sequence(s)	A: KIPCGESCVWIPCLTSVFNCKCENKVCYHD
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.6541
• Maximal score value: 2.4819
• Average score: -0.109
• Total score value: -3.2709

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	K	A	-1.8555
2	I	A	0.5508
3	P	A	-0.1918
4	C	A	-0.0042
5	G	A	-0.2438
6	E	A	-0.0954
7	S	A	0.0325
8	C	A	0.5177
9	V	A	1.1874
10	W	A	2.1184
11	I	A	2.4819
12	P	A	1.1810
13	C	A	0.0000
14	L	A	2.0505
15	T	A	1.3640
16	S	A	0.9671
17	V	A	2.3841
18	F	A	2.0952
19	N	A	-0.4249
20	C	A	0.0000
21	K	A	-2.2529
22	C	A	-1.4399
23	E	A	-2.4584
24	N	A	-2.3722
25	K	A	-1.8579
26	V	A	-1.2121
27	C	A	0.0000
28	Y	A	-1.5659
29	H	A	-1.5725
30	D	A	-2.6541