Project name: 17_rank

Chain sequence(s)	B: NIKEEAEKEMEKVVAEAQKRYEEAKSLDEREARSERHRAWNDVMNQTFIATQLTGEERRIPAI
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                                          (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:09)

• Minimal score value: -4.6916
• Maximal score value: 1.5344
• Average score: -2.2278
• Total score value: -140.3539

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	N	B	-2.3594
2	I	B	-1.4246
3	K	B	-3.2152
4	E	B	-4.1044
5	E	B	-3.7305
6	A	B	0.0000
7	E	B	-4.0797
8	K	B	-4.3969
9	E	B	-3.5059
10	M	B	0.0000
11	E	B	-3.6525
12	K	B	-3.4513
13	V	B	-2.6220
14	V	B	-1.8540
15	A	B	-2.0381
16	E	B	-2.8245
17	A	B	0.0000
18	Q	B	-2.4393
19	K	B	-3.7602
20	R	B	-3.8877
21	Y	B	-3.6995
22	E	B	-4.1156
23	E	B	-4.1041
24	A	B	0.0000
25	K	B	-3.7555
26	S	B	-2.1821
27	L	B	-2.5300
28	D	B	-3.4127
29	E	B	-4.2917
30	R	B	-4.3018
31	E	B	-4.0178
32	A	B	-4.4926
33	R	B	-4.6916
34	S	B	-3.6846
35	E	B	-3.9896
36	R	B	-4.2510
37	H	B	-3.3802
38	R	B	-3.6950
39	A	B	0.0000
40	W	B	-1.3830
41	N	B	-2.6624
42	D	B	-2.8093
43	V	B	0.0000
44	M	B	-0.6640
45	N	B	-0.8270
46	Q	B	0.0000
47	T	B	0.0000
48	F	B	1.3360
49	I	B	1.5344
50	A	B	0.0000
51	T	B	-1.1796
52	Q	B	-0.6815
53	L	B	0.2157
54	T	B	-1.7192
55	G	B	-1.9468
56	E	B	-3.5298
57	E	B	-3.3457
58	R	B	-2.3265
59	R	B	-2.1647
60	I	B	-0.3612
61	P	B	-0.1972
62	A	B	0.2774
63	I	B	0.0221