Project name: query_structure

Chain sequence(s)	A: GIPCGESCVYIPCITAAIGCSCKSKVCYRN
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -1.8079
• Maximal score value: 2.2744
• Average score: 0.3624
• Total score value: 10.8727

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	-0.5624
2	I	A	1.0132
3	P	A	0.0710
4	C	A	0.4958
5	G	A	-0.1457
6	E	A	0.1338
7	S	A	0.4498
8	C	A	1.0641
9	V	A	1.9916
10	Y	A	2.2427
11	I	A	1.8078
12	P	A	1.2535
13	C	A	1.4629
14	I	A	2.2744
15	T	A	1.4752
16	A	A	1.2067
17	A	A	1.4452
18	I	A	2.0596
19	G	A	0.4103
20	C	A	0.0000
21	S	A	-0.5886
22	C	A	-0.4798
23	K	A	-1.8079
24	S	A	-1.2339
25	K	A	-1.0629
26	V	A	-0.6520
27	C	A	0.0000
28	Y	A	-0.7488
29	R	A	-1.0862
30	N	A	-1.6167