Project name: 87_rank

Chain sequence(s)	B: MEELEFKVWNTQAVVDHLQTMLEERPHPNPHYMHTLKGDLMFYRHELEELERELEELKEELE
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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -4.8302
• Maximal score value: 0.5091
• Average score: -1.9969
• Total score value: -123.8106

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	-1.3234
2	E	B	-2.4319
3	E	B	-2.4624
4	L	B	-1.7507
5	E	B	-1.8090
6	F	B	-0.1184
7	K	B	-1.6603
8	V	B	0.0000
9	W	B	0.5091
10	N	B	-0.3976
11	T	B	0.0000
12	Q	B	-1.6739
13	A	B	-0.8763
14	V	B	-0.8354
15	V	B	0.0000
16	D	B	-2.4381
17	H	B	-2.1011
18	L	B	0.0000
19	Q	B	-2.1178
20	T	B	-2.1961
21	M	B	-2.0456
22	L	B	-2.1077
23	E	B	-3.2678
24	E	B	-3.3681
25	R	B	-3.2811
26	P	B	-2.1435
27	H	B	-1.8842
28	P	B	-1.1291
29	N	B	-1.1420
30	P	B	-1.1689
31	H	B	-1.4892
32	Y	B	-0.6996
33	M	B	-1.3125
34	H	B	-1.8387
35	T	B	-1.2947
36	L	B	0.0000
37	K	B	-1.5080
38	G	B	-0.9651
39	D	B	-1.0520
40	L	B	0.0000
41	M	B	-0.1197
42	F	B	0.4787
43	Y	B	-1.1304
44	R	B	-2.5555
45	H	B	-2.5557
46	E	B	-2.6202
47	L	B	-2.9766
48	E	B	-4.4862
49	E	B	-4.3250
50	L	B	-3.4590
51	E	B	-4.4955
52	R	B	-4.8302
53	E	B	-4.1837
54	L	B	-4.0143
55	E	B	-4.6990
56	E	B	-4.4111
57	L	B	-2.9651
58	K	B	-3.5643
59	E	B	-4.1372
60	E	B	-3.2676
61	L	B	-1.4581
62	E	B	-2.6538