Project name: 36_rank

Chain sequence(s)	B: MWSPEELKQYIEDIKKWAPEEIAKLEQQAKDGTQTPHMAKSLIEWVKEEAEKYLKRAKEELEKVES
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:23)

• Minimal score value: -4.5758
• Maximal score value: 1.3875
• Average score: -2.2557
• Total score value: -148.8744

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	1.3875
2	W	B	0.5569
3	S	B	-0.9202
4	P	B	-2.6291
5	E	B	-3.3526
6	E	B	-3.2051
7	L	B	0.0000
8	K	B	-3.7674
9	Q	B	-3.4605
10	Y	B	-2.2643
11	I	B	0.0000
12	E	B	-3.3459
13	D	B	-2.9691
14	I	B	0.0000
15	K	B	-3.6920
16	K	B	-3.5792
17	W	B	-2.3128
18	A	B	-2.6473
19	P	B	-2.3375
20	E	B	-3.2328
21	E	B	-2.5681
22	I	B	-2.2502
23	A	B	-2.3692
24	K	B	-3.4213
25	L	B	0.0000
26	E	B	-4.0548
27	Q	B	-3.6307
28	Q	B	-3.2739
29	A	B	-3.3847
30	K	B	-3.8775
31	D	B	-3.5244
32	G	B	-2.2756
33	T	B	-1.8641
34	Q	B	-1.8800
35	T	B	-1.5040
36	P	B	-2.1564
37	H	B	-1.4494
38	M	B	-0.6659
39	A	B	0.0000
40	K	B	-2.3677
41	S	B	-1.0123
42	L	B	-0.6830
43	I	B	0.0000
44	E	B	-2.0916
45	W	B	-0.8069
46	V	B	0.0000
47	K	B	-3.4244
48	E	B	-3.6015
49	E	B	-2.7654
50	A	B	0.0000
51	E	B	-4.4074
52	K	B	-4.0910
53	Y	B	-2.6796
54	L	B	-3.3337
55	K	B	-4.3997
56	R	B	-4.2541
57	A	B	0.0000
58	K	B	-4.3001
59	E	B	-4.5758
60	E	B	0.0000
61	L	B	0.0000
62	E	B	-4.1650
63	K	B	-3.3888
64	V	B	-1.7250
65	E	B	-2.8748
66	S	B	-2.0050