Project name: query_structure

Chain sequence(s)	A: GIPCGESCVWIPCISSAIGCSCKSKVCYRN
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.6044
• Maximal score value: 2.2491
• Average score: 0.432
• Total score value: 12.9613

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	-0.4548
2	I	A	1.0494
3	P	A	0.3035
4	C	A	0.6317
5	G	A	0.1522
6	E	A	0.5493
7	S	A	0.4159
8	C	A	0.6269
9	V	A	1.6828
10	W	A	2.1871
11	I	A	2.1273
12	P	A	1.4133
13	C	A	1.5813
14	I	A	2.2491
15	S	A	1.3014
16	S	A	1.0366
17	A	A	1.3129
18	I	A	1.9636
19	G	A	0.3593
20	C	A	0.0000
21	S	A	-0.1987
22	C	A	-0.3802
23	K	A	-1.5734
24	S	A	-1.4433
25	K	A	-1.6044
26	V	A	-0.3378
27	C	A	0.0000
28	Y	A	-0.3494
29	R	A	-0.4843
30	N	A	-1.1560