Project name: query_structure

Chain sequence(s)	A: IPCGESCVWLPCISSAIGCSCKSKVCYRNG
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]                                                (00:00:01)
[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 A 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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.1405
• Maximal score value: 2.2443
• Average score: 0.0315
• Total score value: 0.9436

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	I	A	0.7667
2	P	A	-0.0410
3	C	A	0.1188
4	G	A	-0.2281
5	E	A	-0.2231
6	S	A	-0.0399
7	C	A	0.0000
8	V	A	0.9059
9	W	A	1.7635
10	L	A	1.8259
11	P	A	1.0005
12	C	A	0.0000
13	I	A	2.2443
14	S	A	1.1960
15	S	A	0.8468
16	A	A	1.2962
17	I	A	1.8753
18	G	A	0.2308
19	C	A	0.0000
20	S	A	-0.6645
21	C	A	-0.6577
22	K	A	-2.1405
23	S	A	-1.4802
24	K	A	-1.4757
25	V	A	-0.7926
26	C	A	0.0000
27	Y	A	-1.0319
28	R	A	-1.7496
29	N	A	-1.7664
30	G	A	-0.8359