Project name: query_structure

Chain sequence(s)	A: ESCVWIPCISSAVGCSCKNKVCYKNGTPCG
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.                                          (00:00:15)

• Minimal score value: -2.4096
• Maximal score value: 2.3394
• Average score: -0.1102
• Total score value: -3.3051

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	-0.0520
2	S	A	0.0352
3	C	A	0.6210
4	V	A	0.8304
5	W	A	1.9564
6	I	A	2.3394
7	P	A	1.3464
8	C	A	0.0000
9	I	A	2.1924
10	S	A	1.2089
11	S	A	0.8417
12	A	A	1.1261
13	V	A	1.7046
14	G	A	0.2197
15	C	A	0.0000
16	S	A	-0.6502
17	C	A	-0.7004
18	K	A	-2.3292
19	N	A	-2.4096
20	K	A	-1.8532
21	V	A	-1.0962
22	C	A	0.0000
23	Y	A	-1.3165
24	K	A	-1.4336
25	N	A	-1.8990
26	G	A	-1.5133
27	T	A	-0.9035
28	P	A	-0.8504
29	C	A	-0.2249
30	G	A	-0.4953