Project name: query_structure

Chain sequence(s)	A: ESCVWIPCLTAAIGCSCSSKVCYRNGIPCG
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -1.5916
• Maximal score value: 1.878
• Average score: 0.2937
• Total score value: 8.8104

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	-0.4271
2	S	A	0.2370
3	C	A	0.9534
4	V	A	1.6613
5	W	A	1.8435
6	I	A	1.3134
7	P	A	0.8147
8	C	A	0.0000
9	L	A	1.6605
10	T	A	1.0846
11	A	A	0.8908
12	A	A	1.2270
13	I	A	1.8780
14	G	A	0.1991
15	C	A	0.0000
16	S	A	-0.1095
17	C	A	0.2221
18	S	A	-0.2752
19	S	A	-0.4977
20	K	A	-0.7216
21	V	A	-0.0729
22	C	A	0.0000
23	Y	A	-0.3829
24	R	A	-1.1372
25	N	A	-1.5916
26	G	A	-0.5366
27	I	A	0.9134
28	P	A	0.1182
29	C	A	0.0537
30	G	A	-0.5080