Project name: query_structure

Chain sequence(s)	A: GVIPCGESCVFIPCISSVVGCTCKNKVCYRN
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -1.8858
• Maximal score value: 2.8943
• Average score: 0.585
• Total score value: 18.1351

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	0.0896
2	V	A	1.9131
3	I	A	1.9802
4	P	A	0.6283
5	C	A	0.4581
6	G	A	-0.1793
7	E	A	0.0577
8	S	A	0.4617
9	C	A	1.1902
10	V	A	2.3297
11	F	A	2.8943
12	I	A	2.1639
13	P	A	1.3673
14	C	A	0.0000
15	I	A	2.4951
16	S	A	1.6892
17	S	A	1.5442
18	V	A	2.7173
19	V	A	2.1488
20	G	A	0.4242
21	C	A	0.0000
22	T	A	-0.3402
23	C	A	-0.3502
24	K	A	-1.6451
25	N	A	-1.8858
26	K	A	-1.2095
27	V	A	-0.7298
28	C	A	0.0000
29	Y	A	-0.2886
30	R	A	-0.6703
31	N	A	-1.1190