Project name: 83_rank

Chain sequence(s)	B: MTEKEKRKWEMKRKAWEVISATPASDRGRQMWWWNQYYIVDMMESEEDIEWMEKQIEEPYKKEMAEIEKLKS
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]                                                (00:00:00)
[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 B 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                                          (00:03:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:27)

• Minimal score value: -3.9868
• Maximal score value: 0.7532
• Average score: -1.5211
• Total score value: -109.5166

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	M	B	-0.1758
2	T	B	-1.4507
3	E	B	-2.8106
4	K	B	-3.3374
5	E	B	-2.8718
6	K	B	-2.5591
7	R	B	-2.9119
8	K	B	-2.2385
9	W	B	-1.3323
10	E	B	-1.5276
11	M	B	0.0000
12	K	B	-0.7086
13	R	B	-0.9705
14	K	B	-1.0819
15	A	B	0.0000
16	W	B	-0.0213
17	E	B	-0.5498
18	V	B	0.0000
19	I	B	0.0000
20	S	B	-0.2316
21	A	B	-0.3485
22	T	B	0.0000
23	P	B	-0.9518
24	A	B	-1.0094
25	S	B	-1.2770
26	D	B	-2.0105
27	R	B	-2.5005
28	G	B	-1.7645
29	R	B	-1.9092
30	Q	B	-1.2147
31	M	B	-0.2383
32	W	B	-0.0987
33	W	B	0.0000
34	W	B	0.2210
35	N	B	-0.1212
36	Q	B	0.0195
37	Y	B	0.3871
38	Y	B	0.7532
39	I	B	0.4072
40	V	B	0.0000
41	D	B	-1.0137
42	M	B	0.0254
43	M	B	0.0000
44	E	B	-2.7847
45	S	B	-2.8517
46	E	B	-3.9868
47	E	B	-3.5740
48	D	B	-2.6118
49	I	B	0.0000
50	E	B	-3.0978
51	W	B	-1.3083
52	M	B	0.0000
53	E	B	-2.4906
54	K	B	-2.9597
55	Q	B	-2.0692
56	I	B	0.0000
57	E	B	-3.5073
58	E	B	-3.9176
59	P	B	-2.6497
60	Y	B	-2.5510
61	K	B	-3.6043
62	K	B	-3.5641
63	E	B	-2.6786
64	M	B	-2.1905
65	A	B	-2.6160
66	E	B	-3.3545
67	I	B	-2.4451
68	E	B	-3.2278
69	K	B	-2.9970
70	L	B	-1.1397
71	K	B	-2.4146
72	S	B	-1.5002