Project name: query_structure

Chain sequence(s)	A: ACSGRGSRCPPQCCMGLRCGRGNPQKCIGAHEDV
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -3.1399
• Maximal score value: 0.7858
• Average score: -1.3885
• Total score value: -47.2084

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	A	A	0.0674
2	C	A	0.1177
3	S	A	0.0000
4	G	A	-1.4795
5	R	A	-2.4401
6	G	A	-1.9504
7	S	A	-1.9429
8	R	A	-3.1186
9	C	A	-1.7507
10	P	A	-1.0834
11	P	A	-0.8801
12	Q	A	-1.4203
13	C	A	-1.1739
14	C	A	0.1621
15	M	A	0.7858
16	G	A	-0.3678
17	L	A	-0.9772
18	R	A	-2.2670
19	C	A	-2.1190
20	G	A	-2.2739
21	R	A	-3.0095
22	G	A	-2.5125
23	N	A	-2.4549
24	P	A	-2.1551
25	Q	A	-2.6086
26	K	A	-3.1399
27	C	A	0.0000
28	I	A	-1.2193
29	G	A	0.0000
30	A	A	-1.3218
31	H	A	-1.8368
32	E	A	-1.6030
33	D	A	-1.6915
34	V	A	0.4563