Project name: query_structure

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

• Minimal score value: -3.0463
• Maximal score value: 2.1167
• Average score: -0.4221
• Total score value: -17.729

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	Y	A	1.7046
2	V	A	2.1167
3	S	A	1.1594
4	C	A	1.2520
5	L	A	0.6464
6	F	A	1.0117
7	R	A	-1.5681
8	G	A	-1.4524
9	A	A	-0.9830
10	R	A	-2.2191
11	C	A	0.0000
12	R	A	-0.8168
13	V	A	1.1249
14	Y	A	1.5190
15	S	A	-0.1292
16	G	A	-0.8747
17	R	A	-1.4049
18	S	A	-0.3124
19	C	A	0.3041
20	C	A	0.0000
21	F	A	1.7821
22	G	A	-0.4631
23	Y	A	-0.6765
24	Y	A	-0.1662
25	C	A	-1.4627
26	R	A	-3.0463
27	R	A	-2.5705
28	D	A	-1.9667
29	F	A	0.3341
30	P	A	-0.0398
31	G	A	-0.1286
32	S	A	0.1615
33	I	A	1.7533
34	F	A	0.0830
35	G	A	-1.7354
36	T	A	-2.0094
37	C	A	0.0000
38	S	A	-2.1147
39	R	A	-2.8082
40	R	A	-2.5467
41	N	A	-1.7614
42	F	A	0.5750