Project name: query_structure

Chain sequence(s)	A: ACYCRIPACIAGERRYGTCIYQGRLWAFCC
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -3.1008
• Maximal score value: 2.2674
• Average score: 0.0055
• Total score value: 0.1642

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	A	A	0.6515
2	C	A	0.9190
3	Y	A	1.6319
4	C	A	0.6670
5	R	A	-1.0036
6	I	A	0.3251
7	P	A	0.0335
8	A	A	0.3937
9	C	A	0.7979
10	I	A	-0.1639
11	A	A	-0.4016
12	G	A	-1.0465
13	E	A	-2.2993
14	R	A	-3.1008
15	R	A	-2.4108
16	Y	A	-0.2996
17	G	A	-0.1310
18	T	A	0.4525
19	C	A	1.2746
20	I	A	2.2674
21	Y	A	1.4621
22	Q	A	-0.5392
23	G	A	-0.3712
24	R	A	-0.5215
25	L	A	0.3559
26	W	A	0.5287
27	A	A	0.0000
28	F	A	-0.6877
29	C	A	0.3052
30	C	A	1.0749