Project name: query_structure

Chain sequence(s)	A: GIPCGESCVYIPCTVTALAGCKCKSKVCYN
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.4066
• Maximal score value: 2.5652
• Average score: 0.0987
• Total score value: 2.9597

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	-0.2411
2	I	A	1.3924
3	P	A	0.0211
4	C	A	-0.0771
5	G	A	-0.4003
6	E	A	-0.1764
7	S	A	-0.0405
8	C	A	0.4946
9	V	A	1.2390
10	Y	A	2.3681
11	I	A	2.5652
12	P	A	1.1451
13	C	A	0.7209
14	T	A	1.2424
15	V	A	2.0810
16	T	A	0.7415
17	A	A	0.6166
18	L	A	1.7620
19	A	A	0.5432
20	G	A	-0.4584
21	C	A	0.0000
22	K	A	-2.3102
23	C	A	-1.3479
24	K	A	-2.4066
25	S	A	-1.5832
26	K	A	-1.4682
27	V	A	-0.9596
28	C	A	0.0000
29	Y	A	-1.0908
30	N	A	-1.4131