Project name: query_structure

Chain sequence(s)	A: ESCVFIPCITGVIGCSCSSNVCYLNGVPCG
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -0.7629
• Maximal score value: 3.0157
• Average score: 1.0629
• Total score value: 31.8867

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	0.2254
2	S	A	0.9627
3	C	A	1.7828
4	V	A	2.6343
5	F	A	3.0157
6	I	A	2.4266
7	P	A	1.4659
8	C	A	1.9754
9	I	A	2.6114
10	T	A	2.0556
11	G	A	1.8451
12	V	A	2.9292
13	I	A	2.9042
14	G	A	1.1113
15	C	A	0.0000
16	S	A	0.6212
17	C	A	0.7076
18	S	A	0.0571
19	S	A	-0.2734
20	N	A	-0.0020
21	V	A	0.4333
22	C	A	0.0000
23	Y	A	0.4760
24	L	A	0.5021
25	N	A	-0.7629
26	G	A	-0.0635
27	V	A	1.3073
28	P	A	0.5476
29	C	A	0.6102
30	G	A	-0.2195