Project name: query_structure

Chain sequence(s)	A: SCVYIPCTVTALLGCSCSNRVCYNGIPCAE
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.7403
• Maximal score value: 2.578
• Average score: 0.4401
• Total score value: 13.2038

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	S	A	-0.3684
2	C	A	0.0000
3	V	A	1.3197
4	Y	A	2.4042
5	I	A	2.5780
6	P	A	0.9895
7	C	A	0.0000
8	T	A	0.9827
9	V	A	1.5551
10	T	A	1.2249
11	A	A	1.2884
12	L	A	2.4956
13	L	A	2.2048
14	G	A	0.6521
15	C	A	0.0000
16	S	A	-0.0411
17	C	A	-0.4812
18	S	A	-1.1159
19	N	A	-1.7403
20	R	A	-1.4026
21	V	A	-0.9281
22	C	A	0.0000
23	Y	A	0.1477
24	N	A	-0.0978
25	G	A	0.0699
26	I	A	1.5420
27	P	A	0.6441
28	C	A	0.5188
29	A	A	-0.0527
30	E	A	-1.1856