Project name: query_structure

Chain sequence(s)	A: GTIPCGESCVYIPCITSALGCSCKKKVCYKN
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.4785
• Maximal score value: 2.2245
• Average score: 0.1573
• Total score value: 4.8761

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	-0.7223
2	T	A	0.2010
3	I	A	1.2583
4	P	A	0.2754
5	C	A	0.3763
6	G	A	-0.1199
7	E	A	0.0735
8	S	A	0.2471
9	C	A	0.8407
10	V	A	1.8265
11	Y	A	2.2245
12	I	A	1.7715
13	P	A	1.1690
14	C	A	0.0000
15	I	A	2.0789
16	T	A	1.2233
17	S	A	0.8051
18	A	A	1.0251
19	L	A	1.4911
20	G	A	0.0157
21	C	A	0.0000
22	S	A	-0.6472
23	C	A	-0.6060
24	K	A	-1.9681
25	K	A	-2.4785
26	K	A	-1.6222
27	V	A	-0.9476
28	C	A	0.0000
29	Y	A	-0.6930
30	K	A	-0.7522
31	N	A	-1.4699