Project name: 08_rank

Chain sequence(s)	B: MSEAEKLVEEAKPYFEQAVNMPGVNFSVFWFYFDDYWEYVEKLLRRPLPKETQRALWSLGFEYQEQFRKKQGM
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                                          (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:09)

• Minimal score value: -4.1389
• Maximal score value: 1.2702
• Average score: -1.4428
• Total score value: -105.3217

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	-0.1931
2	S	B	-1.6194
3	E	B	-3.0801
4	A	B	0.0000
5	E	B	-3.5486
6	K	B	-3.8123
7	L	B	0.0000
8	V	B	-2.6210
9	E	B	-3.8332
10	E	B	-3.0678
11	A	B	0.0000
12	K	B	-2.3093
13	P	B	-1.8320
14	Y	B	-1.1626
15	F	B	0.0000
16	E	B	-2.3016
17	Q	B	-2.1478
18	A	B	0.0000
19	V	B	0.0000
20	N	B	-2.2327
21	M	B	-1.1174
22	P	B	-1.0139
23	G	B	-0.9053
24	V	B	0.0000
25	N	B	-0.7103
26	F	B	0.1426
27	S	B	0.7073
28	V	B	1.0368
29	F	B	0.0000
30	W	B	0.8627
31	F	B	1.2702
32	Y	B	0.3872
33	F	B	0.0000
34	D	B	-1.8517
35	D	B	-2.0907
36	Y	B	0.0000
37	W	B	-1.7903
38	E	B	-2.8311
39	Y	B	-1.6219
40	V	B	0.0000
41	E	B	-2.4442
42	K	B	-2.7555
43	L	B	-1.0923
44	L	B	-1.6568
45	R	B	-2.8921
46	R	B	-2.7279
47	P	B	-2.1314
48	L	B	0.0000
49	P	B	-2.1141
50	K	B	-3.3007
51	E	B	-3.8358
52	T	B	0.0000
53	Q	B	-2.4706
54	R	B	-3.0046
55	A	B	-1.9711
56	L	B	0.0000
57	W	B	-0.2222
58	S	B	-0.4801
59	L	B	0.0000
60	G	B	0.0000
61	F	B	0.1932
62	E	B	-1.8033
63	Y	B	0.0000
64	Q	B	-2.1394
65	E	B	-3.6551
66	Q	B	-3.6838
67	F	B	0.0000
68	R	B	-3.9934
69	K	B	-4.1389
70	K	B	-3.9337
71	Q	B	-2.9411
72	G	B	-1.8547
73	M	B	-0.9848