Project name: query_structure

Chain sequence(s)	A: ACVGDGQRCASWSGPYCCDGYYCSCRSMPYCRCRNNS
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -3.2592
• Maximal score value: 1.4234
• Average score: -0.7876
• Total score value: -29.1396

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	0.5039
2	C	A	0.3990
3	V	A	-0.6907
4	G	A	-1.7465
5	D	A	-3.2592
6	G	A	-2.8938
7	Q	A	-3.2144
8	R	A	-2.9941
9	C	A	0.0000
10	A	A	-0.3331
11	S	A	0.2237
12	W	A	0.9214
13	S	A	0.1102
14	G	A	-0.1406
15	P	A	0.2451
16	Y	A	1.4234
17	C	A	-0.0023
18	C	A	-0.4315
19	D	A	-1.4502
20	G	A	-1.1846
21	Y	A	-0.7570
22	Y	A	0.1996
23	C	A	-0.7109
24	S	A	-0.8961
25	C	A	-0.5350
26	R	A	-1.6551
27	S	A	-0.6666
28	M	A	0.1012
29	P	A	0.3441
30	Y	A	0.5139
31	C	A	0.0000
32	R	A	-2.7788
33	C	A	0.0000
34	R	A	-3.0975
35	N	A	-2.1942
36	N	A	-1.6318
37	S	A	-0.8611