Project name: rank_24

Chain sequence(s)	B: SKRWSVEEIIEMIRRYGLWWWSRARTPHERNQVYLWVYDFAHWAAHRLKLSNEEWEELWKAMWEIMESLP
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.6843
• Maximal score value: 0.813
• Average score: -1.4403
• Total score value: -100.8177

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	-1.3538
2	K	B	-2.5451
3	R	B	-2.9009
4	W	B	-1.4146
5	S	B	-1.5086
6	V	B	0.0000
7	E	B	-2.8049
8	E	B	-2.4675
9	I	B	0.0000
10	I	B	-2.3432
11	E	B	-2.9803
12	M	B	-1.9484
13	I	B	0.0000
14	R	B	-2.6201
15	R	B	-2.0156
16	Y	B	-0.0395
17	G	B	0.0000
18	L	B	0.2640
19	W	B	0.8130
20	W	B	0.1590
21	W	B	-0.4373
22	S	B	-0.7321
23	R	B	-2.1821
24	A	B	-2.7219
25	R	B	-2.9885
26	T	B	-2.4605
27	P	B	-2.2598
28	H	B	-2.7877
29	E	B	-3.1337
30	R	B	-2.9777
31	N	B	-2.2530
32	Q	B	-1.4502
33	V	B	0.0000
34	Y	B	0.0987
35	L	B	0.6063
36	W	B	0.3778
37	V	B	0.0000
38	Y	B	0.6442
39	D	B	-0.5111
40	F	B	0.0371
41	A	B	0.0000
42	H	B	-0.7971
43	W	B	-0.9224
44	A	B	0.0000
45	A	B	-1.6694
46	H	B	-2.2475
47	R	B	-2.8700
48	L	B	-2.3517
49	K	B	-2.7477
50	L	B	-2.0559
51	S	B	-1.9762
52	N	B	-2.9141
53	E	B	-3.2810
54	E	B	-2.7561
55	W	B	-2.4607
56	E	B	-3.2403
57	E	B	-3.6843
58	L	B	0.0000
59	W	B	-1.6078
60	K	B	-2.4937
61	A	B	-2.3572
62	M	B	0.0000
63	W	B	-0.6242
64	E	B	-2.5373
65	I	B	0.0000
66	M	B	0.0000
67	E	B	-2.2572
68	S	B	-1.6426
69	L	B	0.0000
70	P	B	-0.4853