Project name: 16_rank

Chain sequence(s)	B: LSPEQQKEIKEAVQIMADFENMIHPGYKGYEDAYPGVKVKNKWPSWDEFHRADRIMVQYMQLQA
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -4.6221
• Maximal score value: 1.5126
• Average score: -1.2475
• Total score value: -79.8416

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	0.6116
2	S	B	-0.8996
3	P	B	-2.1580
4	E	B	-3.5344
5	Q	B	-2.9311
6	Q	B	-3.6338
7	K	B	-4.6221
8	E	B	-4.5200
9	I	B	0.0000
10	K	B	-3.4990
11	E	B	-3.3444
12	A	B	0.0000
13	V	B	0.0000
14	Q	B	-1.7137
15	I	B	-1.2887
16	M	B	-0.6339
17	A	B	0.0000
18	D	B	0.0000
19	F	B	0.1851
20	E	B	-0.2346
21	N	B	-0.5583
22	M	B	0.7248
23	I	B	1.5126
24	H	B	-0.3185
25	P	B	-0.6018
26	G	B	-0.7827
27	Y	B	-0.6729
28	K	B	-2.3411
29	G	B	-1.4141
30	Y	B	-1.3739
31	E	B	-2.1453
32	D	B	-2.5360
33	A	B	-1.1096
34	Y	B	-1.1811
35	P	B	-1.3348
36	G	B	-1.2931
37	V	B	-1.8137
38	K	B	-2.6912
39	V	B	-2.2004
40	K	B	-2.6653
41	N	B	-2.5675
42	K	B	-2.0052
43	W	B	0.0673
44	P	B	0.0000
45	S	B	-0.4082
46	W	B	-0.3588
47	D	B	-2.4989
48	E	B	-2.2286
49	F	B	-1.5892
50	H	B	-2.8280
51	R	B	-3.6479
52	A	B	0.0000
53	D	B	-2.0733
54	R	B	-2.2353
55	I	B	-1.6752
56	M	B	0.0000
57	V	B	0.7808
58	Q	B	-0.3597
59	Y	B	0.1735
60	M	B	0.6453
61	Q	B	-0.1945
62	L	B	0.8300
63	Q	B	-0.3594
64	A	B	-0.2958