Project name: query_structure

Chain sequence(s)	A: GIPCAESCVYIPCLTSAGCSCKSKVCYRN
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.938
• Maximal score value: 2.0334
• Average score: 0.0623
• Total score value: 1.8053

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	-0.4633
2	I	A	1.1687
3	P	A	0.3490
4	C	A	0.4992
5	A	A	0.2481
6	E	A	0.3434
7	S	A	0.3955
8	C	A	0.7867
9	V	A	1.1846
10	Y	A	1.9540
11	I	A	2.0334
12	P	A	1.2328
13	C	A	1.2545
14	L	A	1.6301
15	T	A	0.4283
16	S	A	0.1574
17	A	A	-0.1081
18	G	A	-0.8545
19	C	A	-0.4306
20	S	A	-0.8281
21	C	A	-0.5685
22	K	A	-1.9380
23	S	A	-1.3694
24	K	A	-1.3484
25	V	A	-0.6873
26	C	A	0.0000
27	Y	A	-0.5031
28	R	A	-1.2099
29	N	A	-1.5512