Project name: query_structure

Chain sequence(s)	B: GFPCGESCVYIPCFTAAIGCSSCKSKVCYKN
Selected Chain(s)	B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -1.9647
• Maximal score value: 2.9968
• Average score: 0.2715
• Total score value: 8.1435

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	G	B	-0.6490
2	F	B	1.0158
3	P	B	0.1062
4	C	B	0.3475
5	G	B	-0.3424
6	E	B	-0.3412
7	S	B	0.0258
8	C	B	0.0000
9	V	B	1.6319
10	Y	B	2.5472
11	I	B	2.9968
12	P	B	1.6256
13	C	B	0.0000
14	F	B	2.3378
15	T	B	1.3073
16	A	B	1.1390
17	A	B	1.4340
18	I	B	1.9861
19	G	B	0.4201
20	C	B	0.0000
21	S	B	-0.4474
22	C	B	-0.4783
23	K	B	-1.9647
24	S	B	-1.3894
25	K	B	-1.2582
26	V	B	-0.6253
27	C	B	0.0000
28	Y	B	-0.7248
29	K	B	-1.0796
30	N	B	-1.4773