Project name: query_structure

Chain sequence(s)	A: GSCVPVDQPCSLNTQPCCDDATCTQERNENGHTVYYCRA
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -3.7089
• Maximal score value: 0.6562
• Average score: -1.5219
• Total score value: -59.3538

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	-0.6217
2	S	A	-0.5182
3	C	A	-0.6100
4	V	A	-1.0048
5	P	A	-1.3145
6	V	A	-1.8691
7	D	A	-2.4690
8	Q	A	-1.7857
9	P	A	-1.1713
10	C	A	0.0000
11	S	A	0.0455
12	L	A	0.6562
13	N	A	-0.8797
14	T	A	-0.7969
15	Q	A	-1.2816
16	P	A	-1.1054
17	C	A	0.0000
18	C	A	-1.9032
19	D	A	-2.7247
20	D	A	-2.8091
21	A	A	-2.0936
22	T	A	-1.2935
23	C	A	-0.4997
24	T	A	-0.7513
25	Q	A	-1.7693
26	E	A	-2.7925
27	R	A	-3.7089
28	N	A	-3.2685
29	E	A	-3.2667
30	N	A	-2.9986
31	G	A	-2.6921
32	H	A	-2.5703
33	T	A	-1.8945
34	V	A	-1.2053
35	Y	A	-0.5610
36	Y	A	-1.3270
37	C	A	0.0000
38	R	A	-2.5818
39	A	A	-1.9160