Project name: rank_04

Chain sequence(s)	B: SLLERMDKAIAALEKDTEMSEHSRHMWIRDITFARWWARRYGEDATEDMPFGAYHAFWWVKTNVP
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.2045
• Maximal score value: 1.4048
• Average score: -1.2622
• Total score value: -82.044

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	S	B	-0.9831
2	L	B	-1.5069
3	L	B	-2.0933
4	E	B	-3.2045
5	R	B	-2.9588
6	M	B	0.0000
7	D	B	-3.1829
8	K	B	-3.0073
9	A	B	0.0000
10	I	B	-1.9199
11	A	B	-1.8975
12	A	B	-1.7618
13	L	B	0.0000
14	E	B	-3.2009
15	K	B	-3.0134
16	D	B	-2.6391
17	T	B	-2.1854
18	E	B	-2.3930
19	M	B	-2.0427
20	S	B	-2.0152
21	E	B	-3.2004
22	H	B	-2.2456
23	S	B	-1.6024
24	R	B	-2.6415
25	H	B	-2.4051
26	M	B	-1.4377
27	W	B	-0.7441
28	I	B	-1.3046
29	R	B	-1.6549
30	D	B	0.0000
31	I	B	0.0000
32	T	B	-0.2706
33	F	B	0.4793
34	A	B	0.0000
35	R	B	-1.2257
36	W	B	-0.2478
37	W	B	-0.7951
38	A	B	0.0000
39	R	B	-2.5516
40	R	B	-2.4174
41	Y	B	-1.3707
42	G	B	-1.9039
43	E	B	-2.4072
44	D	B	-2.5022
45	A	B	-2.3273
46	T	B	0.0000
47	E	B	-2.7035
48	D	B	-2.2620
49	M	B	0.0000
50	P	B	0.2851
51	F	B	1.4048
52	G	B	0.6117
53	A	B	0.0000
54	Y	B	0.6927
55	H	B	0.2468
56	A	B	0.0000
57	F	B	0.0000
58	W	B	0.0166
59	W	B	-0.2993
60	V	B	0.0000
61	K	B	-1.3366
62	T	B	-1.0347
63	N	B	-1.5475
64	V	B	0.0000
65	P	B	-1.3359