Project name: 09_rank

Chain sequence(s)	B: SPYKNWSPEEVKKYVEEVLETINTTSDSDNPYTKYMEFEFYYWWFQETDIPKEAKKEVMPELFRKRWELYQQVT
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                                          (00:02:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:38)

• Minimal score value: -4.0337
• Maximal score value: 1.3222
• Average score: -1.5832
• Total score value: -117.1554

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	-1.0905
2	P	B	-1.0583
3	Y	B	-1.4228
4	K	B	-2.5008
5	N	B	-2.2504
6	W	B	-1.6675
7	S	B	-2.0951
8	P	B	-3.2160
9	E	B	-3.3175
10	E	B	-2.8759
11	V	B	0.0000
12	K	B	-3.7981
13	K	B	-3.8469
14	Y	B	-2.4634
15	V	B	0.0000
16	E	B	-3.7521
17	E	B	-3.5988
18	V	B	-2.0722
19	L	B	-2.3525
20	E	B	-3.2357
21	T	B	-2.0173
22	I	B	0.0000
23	N	B	-2.2070
24	T	B	-1.5270
25	T	B	-1.3822
26	S	B	-2.2576
27	D	B	-2.8243
28	S	B	-2.3712
29	D	B	-2.9676
30	N	B	-2.3678
31	P	B	-1.0204
32	Y	B	-0.0766
33	T	B	-1.0278
34	K	B	-1.4350
35	Y	B	0.0000
36	M	B	0.3239
37	E	B	-1.0920
38	F	B	0.0000
39	E	B	0.4538
40	F	B	1.3222
41	Y	B	0.0000
42	Y	B	0.5196
43	W	B	0.9626
44	W	B	0.1995
45	F	B	0.0000
46	Q	B	-1.3375
47	E	B	-2.0128
48	T	B	-1.5171
49	D	B	-2.1258
50	I	B	0.0000
51	P	B	-2.4367
52	K	B	-3.5373
53	E	B	-3.7024
54	A	B	0.0000
55	K	B	-3.0902
56	K	B	-4.0337
57	E	B	-4.0072
58	V	B	0.0000
59	M	B	-1.9501
60	P	B	-1.8533
61	E	B	-2.6075
62	L	B	0.0000
63	F	B	-0.5994
64	R	B	-2.0927
65	K	B	-2.0508
66	R	B	-1.2712
67	W	B	-1.3396
68	E	B	-2.3974
69	L	B	-1.2521
70	Y	B	-0.7505
71	Q	B	-1.7868
72	Q	B	-1.5304
73	V	B	-0.2032
74	T	B	-0.2630