Project name: query_structure

Chain sequence(s)	A: GVIPCGESCVFIPCISSVVGCSCKNKVCYRN
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.3163
• Maximal score value: 2.9457
• Average score: 0.536
• Total score value: 16.6159

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	-0.1245
2	V	A	1.8579
3	I	A	1.9601
4	P	A	0.5542
5	C	A	0.5062
6	G	A	-0.1104
7	E	A	0.1809
8	S	A	0.4920
9	C	A	1.1519
10	V	A	2.3745
11	F	A	2.9457
12	I	A	2.2779
13	P	A	1.4103
14	C	A	0.0000
15	I	A	2.5542
16	S	A	1.7684
17	S	A	1.6190
18	V	A	2.7864
19	V	A	2.2811
20	G	A	0.6023
21	C	A	0.0000
22	S	A	-0.6108
23	C	A	-0.7238
24	K	A	-2.3163
25	N	A	-2.1920
26	K	A	-1.3798
27	V	A	-0.9123
28	C	A	0.0000
29	Y	A	-0.4985
30	R	A	-0.7054
31	N	A	-1.1333