Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISKVIGCACKSKVCYKNGTFPCG
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: -1.6757
• Maximal score value: 2.6745
• Average score: 0.1015
• Total score value: 3.1478

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	-0.7811
2	S	A	-0.3872
3	C	A	0.4715
4	V	A	0.9529
5	W	A	2.2103
6	I	A	2.6745
7	P	A	1.3225
8	C	A	0.0000
9	I	A	2.2181
10	S	A	0.0000
11	K	A	0.4009
12	V	A	2.3372
13	I	A	2.3115
14	G	A	0.3846
15	C	A	0.0000
16	A	A	-0.4340
17	C	A	-0.8148
18	K	A	-1.6659
19	S	A	-1.4129
20	K	A	-1.5263
21	V	A	-0.8761
22	C	A	0.0000
23	Y	A	-0.9009
24	K	A	-1.3965
25	N	A	-1.6757
26	G	A	-1.1309
27	T	A	-0.0182
28	F	A	1.0266
29	P	A	0.1908
30	C	A	-0.0376
31	G	A	-0.2955