Project name: 10_rank

Chain sequence(s)	B: LMEEIKKLNKEQHELNKKYIQLFFESVEVRKGPDTEENKKKEGQLSWEMFQVQSKYRETHKKVKELQEEWRKLS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:03)

• Minimal score value: -5.238
• Maximal score value: 1.5502
• Average score: -2.362
• Total score value: -174.7853

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	L	B	-1.0036
2	M	B	-1.4895
3	E	B	-3.1165
4	E	B	-3.2417
5	I	B	0.0000
6	K	B	-4.0698
7	K	B	-4.2206
8	L	B	-3.5912
9	N	B	-3.7564
10	K	B	-4.4763
11	E	B	-4.0417
12	Q	B	0.0000
13	H	B	-3.8655
14	E	B	-4.3941
15	L	B	0.0000
16	N	B	-3.4926
17	K	B	-3.5213
18	K	B	-3.0589
19	Y	B	-0.9510
20	I	B	-0.0242
21	Q	B	-0.9597
22	L	B	0.0000
23	F	B	0.9010
24	F	B	1.3058
25	E	B	-0.7366
26	S	B	0.0000
27	V	B	-1.1965
28	E	B	-2.4806
29	V	B	-3.0363
30	R	B	-3.7544
31	K	B	-3.3821
32	G	B	-2.4649
33	P	B	-2.4976
34	D	B	-3.4638
35	T	B	-3.3244
36	E	B	-4.3217
37	E	B	-4.5659
38	N	B	-4.8915
39	K	B	-5.2380
40	K	B	-4.8045
41	K	B	-4.2197
42	E	B	-3.5602
43	G	B	-2.6867
44	Q	B	-2.1469
45	L	B	-0.9129
46	S	B	-0.1217
47	W	B	0.7046
48	E	B	0.0299
49	M	B	0.6116
50	F	B	1.5502
51	Q	B	-0.0647
52	V	B	0.0000
53	Q	B	-1.1677
54	S	B	-1.5764
55	K	B	-2.8685
56	Y	B	-3.0311
57	R	B	-3.9437
58	E	B	-4.3447
59	T	B	-3.7714
60	H	B	-3.8307
61	K	B	-4.8247
62	K	B	-4.3007
63	V	B	0.0000
64	K	B	-4.5929
65	E	B	-4.4985
66	L	B	0.0000
67	Q	B	-3.5791
68	E	B	-4.2636
69	E	B	-3.2259
70	W	B	-2.0349
71	R	B	-3.0981
72	K	B	-2.6398
73	L	B	-0.3626
74	S	B	-0.7872