Project name: query_structure

Chain sequence(s)	A: GSIPCGESCVFIPCISGLAGCSCKNRVCYLN
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -2.0666
• Maximal score value: 2.7481
• Average score: 0.4751
• Total score value: 14.7284

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	-0.4579
2	S	A	0.3093
3	I	A	1.7572
4	P	A	0.6493
5	C	A	0.6023
6	G	A	-0.1516
7	E	A	0.0427
8	S	A	0.3869
9	C	A	1.0279
10	V	A	2.0115
11	F	A	2.7481
12	I	A	2.0994
13	P	A	1.3231
14	C	A	1.6738
15	I	A	2.2892
16	S	A	1.4164
17	G	A	1.1061
18	L	A	1.8089
19	A	A	0.8627
20	G	A	0.1451
21	C	A	0.0000
22	S	A	-0.1933
23	C	A	-0.4033
24	K	A	-1.7834
25	N	A	-2.0666
26	R	A	-1.4894
27	V	A	-0.4822
28	C	A	0.0000
29	Y	A	0.0729
30	L	A	0.4336
31	N	A	-1.0103