Project name: query_structure

Chain sequence(s)	A: APLSCGRNGGVCIPIRCPVPMRQIGTCFGRPVKCCRSW
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -2.3546
• Maximal score value: 1.943
• Average score: 0.0393
• Total score value: 1.4941

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	0.5878
2	P	A	1.0136
3	L	A	1.9430
4	S	A	0.5300
5	C	A	0.0084
6	G	A	-1.0971
7	R	A	-2.3546
8	N	A	-1.3491
9	G	A	-0.9610
10	G	A	0.1080
11	V	A	1.5746
12	C	A	1.3343
13	I	A	0.6469
14	P	A	0.5180
15	I	A	0.8705
16	R	A	-0.8432
17	C	A	-0.3445
18	P	A	0.3299
19	V	A	1.1066
20	P	A	0.5832
21	M	A	0.2983
22	R	A	-0.9699
23	Q	A	-0.8308
24	I	A	-0.1858
25	G	A	-0.7773
26	T	A	-0.0907
27	C	A	0.0000
28	F	A	1.0535
29	G	A	-0.3942
30	R	A	-1.5489
31	P	A	-0.6074
32	V	A	0.3372
33	K	A	-0.0326
34	C	A	0.0000
35	C	A	0.0000
36	R	A	0.0980
37	S	A	0.1324
38	W	A	0.8070