Project name: query_structure

Chain sequence(s)	A: GSVPCGESCVWIPCITSIAGCSCSNKVCYMD
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -1.6904
• Maximal score value: 2.5099
• Average score: 0.4405
• Total score value: 13.6554

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	-0.3944
2	S	A	-0.0811
3	V	A	1.2603
4	P	A	0.5131
5	C	A	0.4165
6	G	A	-0.2480
7	E	A	0.0317
8	S	A	0.3303
9	C	A	0.9508
10	V	A	1.2406
11	W	A	2.1123
12	I	A	2.4458
13	P	A	1.4512
14	C	A	0.0000
15	I	A	2.5099
16	T	A	1.5301
17	S	A	1.4268
18	I	A	2.2509
19	A	A	1.1428
20	G	A	0.1291
21	C	A	0.0000
22	S	A	-0.0229
23	C	A	0.0978
24	S	A	-0.6574
25	N	A	-1.6904
26	K	A	-1.3371
27	V	A	-0.5237
28	C	A	0.0000
29	Y	A	0.0740
30	M	A	0.1002
31	D	A	-1.4038