Project name: 6198e5616e763d3

Chain sequence(s)	B: DEKAKTAETLIWQLFGKAMQQSDPNEAEKLLKKAEELAKKANDPRLEQVVRQHQVVVRFLVG
Selected Chain(s)	B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -4.2103
• Maximal score value: 2.4692
• Average score: -1.5171
• Total score value: -94.0571

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	D	B	-3.6518
2	E	B	-4.2103
3	K	B	-3.8293
4	A	B	-3.5863
5	K	B	-3.5409
6	T	B	-2.2132
7	A	B	-1.8021
8	E	B	-1.6601
9	T	B	-0.7366
10	L	B	0.0269
11	I	B	0.0000
12	W	B	0.1360
13	Q	B	-0.9506
14	L	B	0.0000
15	F	B	-0.2374
16	G	B	-1.0069
17	K	B	-1.8989
18	A	B	0.0000
19	M	B	-0.7291
20	Q	B	-1.7714
21	Q	B	-1.9825
22	S	B	-1.5732
23	D	B	-2.4310
24	P	B	-2.4317
25	N	B	-2.9603
26	E	B	-3.1386
27	A	B	0.0000
28	E	B	-3.1895
29	K	B	-3.5389
30	L	B	-2.7921
31	L	B	0.0000
32	K	B	-3.6643
33	K	B	-3.3444
34	A	B	0.0000
35	E	B	-3.2238
36	E	B	-3.6624
37	L	B	-2.5091
38	A	B	0.0000
39	K	B	-3.5445
40	K	B	-3.1989
41	A	B	-2.8661
42	N	B	-2.6722
43	D	B	-2.3526
44	P	B	-2.1808
45	R	B	-2.8221
46	L	B	0.0000
47	E	B	-2.7567
48	Q	B	-2.5500
49	V	B	-1.4424
50	V	B	0.0000
51	R	B	-1.6815
52	Q	B	-1.2957
53	H	B	0.0000
54	Q	B	-0.5608
55	V	B	0.8549
56	V	B	1.3071
57	V	B	0.0000
58	R	B	0.2645
59	F	B	2.4132
60	L	B	2.4692
61	V	B	0.6920
62	G	B	-0.0299