Project name: query_structure

Chain sequence(s)	A: CLASNKVCGRCRGSFPRWYYDPTEQICKSFVYGGCLGNKNNYLREEECILACRGV
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -2.2543
• Maximal score value: 1.9534
• Average score: -0.3127
• Total score value: -17.1988

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	C	A	0.5450
2	L	A	1.4824
3	A	A	-0.1156
4	S	A	-0.8070
5	N	A	-1.0190
6	K	A	-1.2390
7	V	A	-0.1201
8	C	A	0.1226
9	G	A	0.0000
10	R	A	-1.5595
11	C	A	-1.0025
12	R	A	-1.9363
13	G	A	-0.5551
14	S	A	0.5298
15	F	A	1.5956
16	P	A	1.0076
17	R	A	0.3699
18	W	A	-0.2114
19	Y	A	0.0000
20	Y	A	0.0000
21	D	A	-0.5371
22	P	A	-0.2567
23	T	A	-1.0702
24	E	A	-2.1756
25	Q	A	-1.4651
26	I	A	-0.1796
27	C	A	-0.7043
28	K	A	-0.8884
29	S	A	-0.3216
30	F	A	0.7112
31	V	A	1.9534
32	Y	A	0.0000
33	G	A	0.0000
34	G	A	0.2130
35	C	A	0.4048
36	L	A	1.0061
37	G	A	-0.1536
38	N	A	-0.9218
39	K	A	-1.5731
40	N	A	0.0000
41	N	A	-0.8770
42	Y	A	-0.6352
43	L	A	0.1107
44	R	A	-2.0908
45	E	A	-2.0883
46	E	A	-2.2543
47	E	A	-1.2849
48	C	A	0.0000
49	I	A	0.3818
50	L	A	0.1229
51	A	A	0.2047
52	C	A	0.0000
53	R	A	-0.8819
54	G	A	-0.2719
55	V	A	1.2366