Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISAVVGCSCKSKVCYKNGTLPCG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -1.4932
• Maximal score value: 2.9927
• Average score: 0.3693
• Total score value: 11.4491

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	-0.1705
2	S	A	0.1912
3	C	A	0.8087
4	V	A	1.0110
5	W	A	1.9162
6	I	A	2.2141
7	P	A	1.3345
8	C	A	0.0000
9	I	A	2.7150
10	S	A	1.8936
11	A	A	1.9610
12	V	A	2.9927
13	V	A	2.6288
14	G	A	0.7804
15	C	A	0.0000
16	S	A	-0.1273
17	C	A	-0.3128
18	K	A	-1.4859
19	S	A	-1.1796
20	K	A	-1.2598
21	V	A	-0.6298
22	C	A	0.0000
23	Y	A	-0.5953
24	K	A	-0.7525
25	N	A	-1.4932
26	G	A	-1.0072
27	T	A	-0.1928
28	L	A	0.7491
29	P	A	-0.0254
30	C	A	0.0000
31	G	A	-0.5151