Project name: query_structure

Chain sequence(s)	A: SIPCGESCVWIPCTITALAGCKCKSKVCYN
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -2.1827
• Maximal score value: 2.5188
• Average score: 0.2025
• Total score value: 6.0757

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	S	A	0.0316
2	I	A	1.4848
3	P	A	0.1320
4	C	A	0.0289
5	G	A	-0.1205
6	E	A	0.0338
7	S	A	0.0736
8	C	A	0.5363
9	V	A	1.1805
10	W	A	2.2159
11	I	A	2.5188
12	P	A	1.1751
13	C	A	0.9884
14	T	A	1.3702
15	I	A	2.2502
16	T	A	0.9360
17	A	A	0.7391
18	L	A	1.7746
19	A	A	0.5653
20	G	A	-0.4391
21	C	A	0.0000
22	K	A	-2.1827
23	C	A	-1.1544
24	K	A	-2.1357
25	S	A	-1.4625
26	K	A	-1.3849
27	V	A	-0.8387
28	C	A	0.0000
29	Y	A	-0.9525
30	N	A	-1.2884