Project name: query_structure

Chain sequence(s)	A: ESCVFIPCLTAAIGCSCRSKVCYRNGIPCG
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -1.791
• Maximal score value: 2.7246
• Average score: 0.2996
• Total score value: 8.9881

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	-0.1495
2	S	A	0.2628
3	C	A	0.9704
4	V	A	1.4457
5	F	A	2.7246
6	I	A	2.5655
7	P	A	1.3932
8	C	A	0.0000
9	L	A	1.8911
10	T	A	1.1987
11	A	A	1.0029
12	A	A	1.2606
13	I	A	1.9756
14	G	A	0.3824
15	C	A	0.0000
16	S	A	-0.3307
17	C	A	-0.4224
18	R	A	-1.7910
19	S	A	-1.3307
20	K	A	-1.2378
21	V	A	-0.5073
22	C	A	0.0000
23	Y	A	-0.5912
24	R	A	-0.8161
25	N	A	-1.3132
26	G	A	-0.5615
27	I	A	1.0865
28	P	A	0.0972
29	C	A	0.2300
30	G	A	-0.4477