Project name: query_structure

Chain sequence(s)	A: GSIPCGESCVWIPCISSVVGCACKNKVCYKN
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.0417
• Maximal score value: 2.9594
• Average score: 0.4296
• Total score value: 13.3184

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	A	-1.0825
2	S	A	0.0159
3	I	A	1.1597
4	P	A	0.3052
5	C	A	0.4614
6	G	A	-0.3078
7	E	A	0.1694
8	S	A	0.2648
9	C	A	0.8935
10	V	A	1.1609
11	W	A	2.2227
12	I	A	2.7857
13	P	A	1.6382
14	C	A	0.0000
15	I	A	2.8569
16	S	A	1.9276
17	S	A	1.7969
18	V	A	2.9594
19	V	A	2.6485
20	G	A	0.8730
21	C	A	0.0000
22	A	A	-0.1228
23	C	A	-0.3873
24	K	A	-1.5358
25	N	A	-2.0417
26	K	A	-1.5473
27	V	A	-0.8960
28	C	A	0.0000
29	Y	A	-0.5267
30	K	A	-0.7737
31	N	A	-1.5997