Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISAAIGCSCKNKVCYRAIPCG
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.1869
• Maximal score value: 2.2742
• Average score: 0.2766
• Total score value: 8.0214

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	-0.7802
2	S	A	-0.1842
3	C	A	0.5488
4	V	A	0.6360
5	W	A	1.8911
6	I	A	2.1711
7	P	A	1.2993
8	C	A	0.0000
9	I	A	2.2742
10	S	A	1.2181
11	A	A	1.0504
12	A	A	1.4317
13	I	A	2.1260
14	G	A	0.9194
15	C	A	0.0000
16	S	A	-0.0645
17	C	A	-0.5828
18	K	A	-2.0107
19	N	A	-2.1869
20	K	A	-1.7565
21	V	A	-0.9757
22	C	A	0.0000
23	Y	A	-0.2601
24	R	A	-0.7127
25	A	A	0.1687
26	I	A	1.5299
27	P	A	0.2408
28	C	A	0.0000
29	G	A	0.0302