Project name: query_structure

Chain sequence(s)	A: ESCVLIPCISSVIGCSCKSKVCYRNGIPCG
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -1.8227
• Maximal score value: 2.992
• Average score: 0.4069
• Total score value: 12.2061

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	-0.0378
2	S	A	0.3953
3	C	A	1.1659
4	V	A	1.6743
5	L	A	2.5584
6	I	A	2.6504
7	P	A	1.5097
8	C	A	0.0000
9	I	A	2.7142
10	S	A	1.7613
11	S	A	1.6123
12	V	A	2.9920
13	I	A	2.6650
14	G	A	0.6092
15	C	A	0.0000
16	S	A	-0.3006
17	C	A	-0.3536
18	K	A	-1.5353
19	S	A	-1.1183
20	K	A	-1.0539
21	V	A	-0.3592
22	C	A	0.0000
23	Y	A	-0.9764
24	R	A	-1.8227
25	N	A	-1.8121
26	G	A	-0.8406
27	I	A	0.7418
28	P	A	-0.1179
29	C	A	-0.0184
30	G	A	-0.4969