Project name: query_structure

Chain sequence(s)	A: GIPCGESCVYIPCLTSAIGCSCKSKVCYRN
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -1.768
• Maximal score value: 2.2308
• Average score: 0.2541
• Total score value: 7.624

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	-0.5388
2	I	A	1.0348
3	P	A	0.1302
4	C	A	0.4536
5	G	A	-0.1400
6	E	A	0.1024
7	S	A	0.4746
8	C	A	1.0331
9	V	A	2.0049
10	Y	A	2.2308
11	I	A	1.7874
12	P	A	1.0641
13	C	A	0.0000
14	L	A	1.7035
15	T	A	1.1169
16	S	A	0.7751
17	A	A	1.2008
18	I	A	1.9039
19	G	A	0.2771
20	C	A	0.0000
21	S	A	-0.6858
22	C	A	-0.4211
23	K	A	-1.7680
24	S	A	-1.1911
25	K	A	-1.0014
26	V	A	-0.5348
27	C	A	0.0000
28	Y	A	-0.7011
29	R	A	-1.0876
30	N	A	-1.5995