Project name: rank_30

Chain sequence(s)	B: SRLREAELRLGNARAMVEWLRKQVEERKKDPSATEHQIYMFEWDLIMWERDAEEYEREVAELRAELEA
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -5.1363
• Maximal score value: 1.3683
• Average score: -2.1684
• Total score value: -147.4513

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	-2.0454
2	R	B	-3.2726
3	L	B	-2.9463
4	R	B	-3.2507
5	E	B	-3.1029
6	A	B	0.0000
7	E	B	-2.1413
8	L	B	-1.0127
9	R	B	-2.8512
10	L	B	0.0000
11	G	B	-1.8589
12	N	B	-2.1841
13	A	B	0.0000
14	R	B	-3.5421
15	A	B	-2.0871
16	M	B	-1.5665
17	V	B	-2.4683
18	E	B	-2.9974
19	W	B	-1.2390
20	L	B	0.0000
21	R	B	-3.5403
22	K	B	-3.7443
23	Q	B	-3.0373
24	V	B	0.0000
25	E	B	-4.3035
26	E	B	-3.8677
27	R	B	-3.3208
28	K	B	-4.1277
29	K	B	-3.6726
30	D	B	-2.5182
31	P	B	-1.5007
32	S	B	-1.1693
33	A	B	-1.8616
34	T	B	-1.6765
35	E	B	-2.3391
36	H	B	-1.5661
37	Q	B	-1.1602
38	I	B	-1.2445
39	Y	B	0.3959
40	M	B	0.6070
41	F	B	0.0841
42	E	B	0.0552
43	W	B	1.3683
44	D	B	-0.0688
45	L	B	0.0000
46	I	B	0.3545
47	M	B	-0.1445
48	W	B	-1.7976
49	E	B	-3.3216
50	R	B	-3.8127
51	D	B	-3.6998
52	A	B	-4.4598
53	E	B	-5.1363
54	E	B	-4.5373
55	Y	B	-4.2198
56	E	B	-5.0729
57	R	B	-4.6305
58	E	B	-4.2667
59	V	B	0.0000
60	A	B	-3.0012
61	E	B	-3.7299
62	L	B	-3.2148
63	R	B	-2.9895
64	A	B	-2.3662
65	E	B	-2.4467
66	L	B	-0.8732
67	E	B	-2.1538
68	A	B	-1.1558