Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISSVVGCSCKSKVCYKNGTLPCG
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -1.7031
• Maximal score value: 2.8973
• Average score: 0.3037
• Total score value: 9.4135

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	-0.2116
2	S	A	0.1735
3	C	A	0.7939
4	V	A	1.0148
5	W	A	1.9534
6	I	A	2.2850
7	P	A	1.3178
8	C	A	0.0000
9	I	A	2.6606
10	S	A	1.7572
11	S	A	1.7284
12	V	A	2.8973
13	V	A	2.5376
14	G	A	0.6456
15	C	A	0.0000
16	S	A	-0.2522
17	C	A	-0.4059
18	K	A	-1.6631
19	S	A	-1.2042
20	K	A	-1.2840
21	V	A	-0.6957
22	C	A	0.0000
23	Y	A	-0.7495
24	K	A	-0.9939
25	N	A	-1.7031
26	G	A	-0.9805
27	T	A	-0.2412
28	L	A	0.5888
29	P	A	-0.1046
30	C	A	0.0874
31	G	A	-0.5383