Project name: query_structure

Chain sequence(s)	A: CGESCVWIPCISAALGCSCKNKVCYRNGIP
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.                                          (00:00:09)

• Minimal score value: -2.7417
• Maximal score value: 3.0799
• Average score: -0.0794
• Total score value: -2.3833

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	-0.3769
2	G	A	-0.8265
3	E	A	-1.8916
4	S	A	-0.8594
5	C	A	0.6083
6	V	A	1.9285
7	W	A	2.7788
8	I	A	3.0799
9	P	A	1.5889
10	C	A	1.7639
11	I	A	2.4179
12	S	A	1.1229
13	A	A	0.0000
14	A	A	1.2456
15	L	A	1.6414
16	G	A	0.3619
17	C	A	-0.3357
18	S	A	-0.7047
19	C	A	-1.0670
20	K	A	-2.7417
21	N	A	-2.5781
22	K	A	-1.9568
23	V	A	-2.0671
24	C	A	0.0000
25	Y	A	-1.5436
26	R	A	-1.8784
27	N	A	-2.1312
28	G	A	-0.6437
29	I	A	0.8819
30	P	A	-0.2008