Project name: 79_rank

Chain sequence(s)	B: LSEREKRDRWYKMDILMFQLRHFRDNEMRFEETGEFPPGDPEEYLAEMEKQKKEVEEQYMQLMK
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                                          (00:03:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:47)

• Minimal score value: -5.3108
• Maximal score value: 1.9489
• Average score: -2.2876
• Total score value: -146.4035

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	L	B	-0.2239
2	S	B	-1.9279
3	E	B	-4.0139
4	R	B	-4.5387
5	E	B	-3.7790
6	K	B	-4.0965
7	R	B	-4.4547
8	D	B	-4.1741
9	R	B	-2.3148
10	W	B	-0.7703
11	Y	B	-0.2323
12	K	B	-0.7592
13	M	B	0.0128
14	D	B	0.3248
15	I	B	1.9489
16	L	B	0.1221
17	M	B	0.5472
18	F	B	0.6797
19	Q	B	-0.9505
20	L	B	-1.7159
21	R	B	-2.6317
22	H	B	-2.7363
23	F	B	-2.7566
24	R	B	-3.7252
25	D	B	-3.7111
26	N	B	-3.1006
27	E	B	-2.9941
28	M	B	-2.4416
29	R	B	-3.0751
30	F	B	-2.7723
31	E	B	-3.2515
32	E	B	-3.2677
33	T	B	-2.3144
34	G	B	-2.2901
35	E	B	-2.4575
36	F	B	-1.1689
37	P	B	-0.8018
38	P	B	-0.9666
39	G	B	-1.9214
40	D	B	-3.0655
41	P	B	-2.6230
42	E	B	-3.2539
43	E	B	-3.4111
44	Y	B	-2.2506
45	L	B	-1.9531
46	A	B	-2.4692
47	E	B	-3.4809
48	M	B	0.0000
49	E	B	-3.6084
50	K	B	-4.3460
51	Q	B	-4.2855
52	K	B	-4.4894
53	K	B	-5.3108
54	E	B	-5.0375
55	V	B	0.0000
56	E	B	-4.2013
57	E	B	-4.2849
58	Q	B	-2.9757
59	Y	B	-1.7395
60	M	B	-1.3390
61	Q	B	-1.9532
62	L	B	0.0000
63	M	B	-0.1336
64	K	B	-1.4907