Project name: query_structure

Chain sequence(s)	A: GVPCGESCVYIPCFTGIINCSCRDKVCYNN
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.8775
• Maximal score value: 2.9015
• Average score: 0.2709
• Total score value: 8.1281

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	-0.4200
2	V	A	1.0572
3	P	A	0.1341
4	C	A	0.3494
5	G	A	-0.2657
6	E	A	0.1368
7	S	A	0.2313
8	C	A	0.7120
9	V	A	1.7087
10	Y	A	2.1806
11	I	A	1.7565
12	P	A	1.1250
13	C	A	1.5046
14	F	A	2.4939
15	T	A	1.8690
16	G	A	1.5739
17	I	A	2.9015
18	I	A	2.3724
19	N	A	-0.0743
20	C	A	0.0000
21	S	A	-0.7350
22	C	A	-0.9389
23	R	A	-2.6203
24	D	A	-2.8775
25	K	A	-1.8282
26	V	A	-1.1251
27	C	A	0.0000
28	Y	A	-0.9654
29	N	A	-0.7958
30	N	A	-1.3326