Project name: query_structure

Chain sequence(s)	A: GIPCGESCVWIPCISSALGCSCKNKVCYRN
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.4871
• Maximal score value: 2.7973
• Average score: 0.1264
• Total score value: 3.7929

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	-0.5713
2	I	A	1.0206
3	P	A	0.1311
4	C	A	0.4657
5	G	A	-0.1032
6	E	A	0.2347
7	S	A	0.2828
8	C	A	0.8219
9	V	A	1.2720
10	W	A	2.2352
11	I	A	2.7973
12	P	A	1.6338
13	C	A	0.0000
14	I	A	2.3380
15	S	A	1.1858
16	S	A	0.7824
17	A	A	1.0793
18	L	A	1.4808
19	G	A	0.0550
20	C	A	0.0000
21	S	A	-0.8384
22	C	A	-0.9173
23	K	A	-2.4871
24	N	A	-2.4232
25	K	A	-1.7788
26	V	A	-1.1620
27	C	A	0.0000
28	Y	A	-0.8994
29	R	A	-1.2096
30	N	A	-1.6332