Project name: query_structure

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

• Minimal score value: -1.4615
• Maximal score value: 2.3051
• Average score: 0.4569
• Total score value: 14.1642

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	-0.1214
2	S	A	0.2065
3	C	A	0.7836
4	V	A	1.1159
5	Y	A	1.9055
6	I	A	1.8761
7	P	A	1.1481
8	C	A	1.4424
9	F	A	2.3051
10	T	A	1.4966
11	G	A	1.4846
12	I	A	2.2307
13	A	A	1.1538
14	G	A	0.2483
15	C	A	0.0000
16	S	A	0.0179
17	C	A	-0.2853
18	K	A	-1.4615
19	S	A	-1.1588
20	K	A	-1.1980
21	V	A	-0.4272
22	C	A	0.0000
23	Y	A	0.1244
24	Y	A	0.4033
25	N	A	-0.8765
26	G	A	-0.5138
27	S	A	0.1433
28	V	A	1.4527
29	P	A	0.4761
30	C	A	0.4424
31	G	A	-0.2506