Project name: query_structure

Chain sequence(s)	A: GFPCGESCVFIPCISAAIGCSCKNKVCYRN
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.4752
• Maximal score value: 2.7433
• Average score: 0.2836
• Total score value: 8.5071

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	-0.5838
2	F	A	1.0217
3	P	A	0.1468
4	C	A	0.5477
5	G	A	-0.1071
6	E	A	0.1592
7	S	A	0.2787
8	C	A	0.8378
9	V	A	1.5096
10	F	A	2.7433
11	I	A	2.6309
12	P	A	1.5943
13	C	A	1.7889
14	I	A	2.4232
15	S	A	1.4649
16	A	A	1.2062
17	A	A	1.4691
18	I	A	2.0595
19	G	A	0.4109
20	C	A	0.0000
21	S	A	-0.6941
22	C	A	-0.8649
23	K	A	-2.4752
24	N	A	-2.4299
25	K	A	-1.7489
26	V	A	-1.1786
27	C	A	0.0000
28	Y	A	-0.8862
29	R	A	-1.1549
30	N	A	-1.6620