Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCISSVVGCSCKSKVCYLD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -1.8205
• Maximal score value: 2.8941
• Average score: 0.6396
• Total score value: 19.1892

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	-0.1394
2	I	A	1.5752
3	P	A	0.5198
4	C	A	0.7436
5	G	A	-0.1495
6	E	A	0.1029
7	S	A	0.4085
8	C	A	1.0341
9	V	A	1.6525
10	F	A	2.7993
11	I	A	2.8941
12	P	A	1.5167
13	C	A	0.0000
14	I	A	2.6733
15	S	A	2.0238
16	S	A	1.8903
17	V	A	2.8350
18	V	A	2.5686
19	G	A	0.9417
20	C	A	0.0000
21	S	A	-0.1397
22	C	A	-0.6260
23	K	A	-1.8205
24	S	A	-1.4011
25	K	A	-1.4433
26	V	A	-0.6561
27	C	A	0.0000
28	Y	A	0.0377
29	L	A	0.3848
30	D	A	-1.0371