Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISSAIGCSCKNKVCYRKGIPCG
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.3009
• Maximal score value: 2.2357
• Average score: 0.0035
• Total score value: 0.1058

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	-0.1091
2	S	A	0.0395
3	C	A	0.6323
4	V	A	0.8552
5	W	A	1.9192
6	I	A	2.2357
7	P	A	1.2882
8	C	A	0.0000
9	I	A	2.2120
10	S	A	1.1845
11	S	A	0.8162
12	A	A	1.2409
13	I	A	1.8631
14	G	A	0.0840
15	C	A	0.0000
16	S	A	-0.6645
17	C	A	-0.7224
18	K	A	-2.1972
19	N	A	-2.3009
20	K	A	-1.8043
21	V	A	-1.1431
22	C	A	0.0000
23	Y	A	-1.0784
24	R	A	-1.6181
25	K	A	-2.0585
26	G	A	-0.9474
27	I	A	0.6656
28	P	A	-0.0930
29	C	A	0.0615
30	G	A	-0.2552