Project name: query_structure

Chain sequence(s)	A: GVIPCGESCVFIPCISAVIGCSCKSKVCYRN
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.                                          (00:00:19)

• Minimal score value: -1.9105
• Maximal score value: 3.1606
• Average score: 0.6802
• Total score value: 21.0875

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	-0.1862
2	V	A	1.6451
3	I	A	1.4483
4	P	A	0.2899
5	C	A	0.6225
6	G	A	-0.3797
7	E	A	0.1478
8	S	A	0.3847
9	C	A	1.0048
10	V	A	1.4998
11	F	A	2.7661
12	I	A	2.7544
13	P	A	1.6182
14	C	A	1.8819
15	I	A	2.8911
16	S	A	2.0916
17	A	A	2.0616
18	V	A	3.1606
19	I	A	2.9223
20	G	A	0.9797
21	C	A	0.0000
22	S	A	-0.3669
23	C	A	-0.4963
24	K	A	-1.9105
25	S	A	-1.3744
26	K	A	-1.2438
27	V	A	-0.8719
28	C	A	0.0000
29	Y	A	-0.4638
30	R	A	-0.6159
31	N	A	-1.1735