Project name: query_structure

Chain sequence(s)	A: ESCVYIPCISSLLGCSCKSKVCYKNGSIPCG
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -1.7627
• Maximal score value: 2.7164
• Average score: 0.256
• Total score value: 7.9355

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	E	A	0.0022
2	S	A	0.2583
3	C	A	0.9624
4	V	A	1.1762
5	Y	A	2.2448
6	I	A	2.7164
7	P	A	1.6821
8	C	A	0.0000
9	I	A	2.6448
10	S	A	1.6329
11	S	A	1.4575
12	L	A	2.5043
13	L	A	2.1741
14	G	A	0.3970
15	C	A	0.0000
16	S	A	-0.4137
17	C	A	-0.4404
18	K	A	-1.7137
19	S	A	-1.2571
20	K	A	-1.2262
21	V	A	-0.7120
22	C	A	0.0000
23	Y	A	-0.9257
24	K	A	-1.2562
25	N	A	-1.7627
26	G	A	-1.2698
27	S	A	-0.5385
28	I	A	0.4125
29	P	A	-0.2415
30	C	A	0.0000
31	G	A	-0.5725