Project name: 0210

Chain sequence(s)	A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE; P: QPPVPPQRPM
Selected Chain(s)	A,P
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 all 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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.2619
• Maximal score value: 1.1765
• Average score: -1.2058
• Total score value: -78.3744

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
5	S	A	-1.4237
6	A	A	-1.1947
7	V	A	0.0000
8	K	A	-1.3869
9	A	A	0.0000
10	L	A	-1.0172
11	F	A	-1.6201
12	D	A	-2.6985
13	Y	A	0.0000
14	K	A	-2.5555
15	A	A	-2.1756
16	Q	A	-2.6646
17	R	A	-2.9723
18	E	A	-2.7901
19	D	A	-2.0937
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-1.2565
23	F	A	0.0000
24	T	A	-1.7669
25	K	A	-2.1673
26	S	A	-1.1310
27	A	A	0.0000
28	I	A	0.3290
29	I	A	0.0000
30	Q	A	-1.4263
31	N	A	-2.2481
32	V	A	-2.1944
33	E	A	-3.0742
34	K	A	-3.2619
35	Q	A	-3.2516
36	D	A	-2.8690
37	G	A	-1.9974
38	G	A	-1.5197
39	W	A	0.0000
40	W	A	-1.7917
41	R	A	-2.0432
42	G	A	0.0000
43	D	A	-1.7620
44	Y	A	-0.7922
45	G	A	-0.8920
46	G	A	-1.3648
47	K	A	-1.8706
48	K	A	-2.6140
49	Q	A	-1.9493
50	L	A	-1.2044
51	W	A	-0.8901
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-1.1729
55	N	A	-0.5785
56	Y	A	0.0000
57	V	A	0.0000
58	E	A	-2.3717
59	E	A	-2.5432
1	Q	P	-1.0675
2	P	P	-0.6337
3	P	P	0.2983
4	V	P	1.1765
5	P	P	0.1666
6	P	P	-0.5511
7	Q	P	-1.1119
8	R	P	-0.9561
9	P	P	-0.1705
10	M	P	0.7438