Project name: 74_rank

Chain sequence(s)	B: SSILEVFPPSVLEYVKHMESMDPKYAIDWVPFVEDIMRDWVETDPRIPAEEREALKKQVTVWGFKKRMELYEKA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)

• Minimal score value: -3.8979
• Maximal score value: 1.2593
• Average score: -1.1856
• Total score value: -87.7368

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	-0.6063
2	S	B	-0.5785
3	I	B	0.0000
4	L	B	-0.1038
5	E	B	-0.9024
6	V	B	0.9526
7	F	B	0.0000
8	P	B	-0.1840
9	P	B	-0.6398
10	S	B	-0.5561
11	V	B	0.0000
12	L	B	-1.0224
13	E	B	-2.5641
14	Y	B	-1.1346
15	V	B	0.0000
16	K	B	-3.2867
17	H	B	-2.5788
18	M	B	0.0000
19	E	B	-2.9221
20	S	B	-1.9125
21	M	B	-1.0752
22	D	B	-1.2289
23	P	B	-1.7461
24	K	B	-1.6438
25	Y	B	0.2837
26	A	B	0.0000
27	I	B	-0.7783
28	D	B	-0.7708
29	W	B	0.4448
30	V	B	0.0000
31	P	B	0.2925
32	F	B	1.2593
33	V	B	0.0000
34	E	B	0.0000
35	D	B	-1.6684
36	I	B	-0.7126
37	M	B	0.0000
38	R	B	-2.9163
39	D	B	-2.9627
40	W	B	-1.8118
41	V	B	0.0000
42	E	B	-3.3879
43	T	B	-1.8746
44	D	B	0.0000
45	P	B	-1.4956
46	R	B	-2.2155
47	I	B	0.0000
48	P	B	-2.2948
49	A	B	-2.4684
50	E	B	-3.1304
51	E	B	-3.4648
52	R	B	-3.6128
53	E	B	-3.8979
54	A	B	-2.5828
55	L	B	-2.0843
56	K	B	-3.0168
57	K	B	-2.4390
58	Q	B	-1.4709
59	V	B	0.0000
60	T	B	-0.4757
61	V	B	0.5615
62	W	B	-0.1394
63	G	B	0.0000
64	F	B	0.3257
65	K	B	-1.2623
66	K	B	-1.5181
67	R	B	-1.2186
68	M	B	-1.0893
69	E	B	-2.3283
70	L	B	0.0000
71	Y	B	-1.0486
72	E	B	-2.5919
73	K	B	-2.8275
74	A	B	-1.6137