Project name: query_structure

Chain sequence(s)	A: SISCGESCVYIPCTVTALVGCTCKDKVCYLN
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.585
• Maximal score value: 2.8158
• Average score: 0.6833
• Total score value: 21.1822

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	0.4237
2	I	A	1.7792
3	S	A	0.7246
4	C	A	0.9470
5	G	A	-0.1626
6	E	A	0.1047
7	S	A	0.1429
8	C	A	0.6967
9	V	A	1.1702
10	Y	A	2.3752
11	I	A	2.5396
12	P	A	1.4107
13	C	A	1.5219
14	T	A	1.6154
15	V	A	2.4338
16	T	A	1.9741
17	A	A	1.9085
18	L	A	2.8158
19	V	A	2.7535
20	G	A	1.0550
21	C	A	0.0000
22	T	A	-0.0416
23	C	A	-0.2189
24	K	A	-1.8119
25	D	A	-2.5850
26	K	A	-1.7442
27	V	A	-0.9126
28	C	A	0.0000
29	Y	A	0.1932
30	L	A	0.8223
31	N	A	-0.7490