Project name: query_structure

Chain sequence(s)	A: ESCVFIPCISSVVGCSCKNKVCYKNGSIPCG
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.1759
• Maximal score value: 2.8769
• Average score: 0.2835
• Total score value: 8.7877

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	-0.0759
2	S	A	0.2110
3	C	A	0.9400
4	V	A	1.3474
5	F	A	2.7829
6	I	A	2.7871
7	P	A	1.5477
8	C	A	0.0000
9	I	A	2.6994
10	S	A	1.7883
11	S	A	1.6511
12	V	A	2.8769
13	V	A	2.5344
14	G	A	0.6311
15	C	A	0.0000
16	S	A	-0.3586
17	C	A	-0.5376
18	K	A	-1.9065
19	N	A	-2.1759
20	K	A	-1.5848
21	V	A	-0.9564
22	C	A	0.0000
23	Y	A	-0.8888
24	K	A	-1.0043
25	N	A	-1.6705
26	G	A	-1.1704
27	S	A	-0.4854
28	I	A	0.4206
29	P	A	-0.1692
30	C	A	0.0957
31	G	A	-0.5416