Project name: 9a9f06e7db47f12

Chain sequence(s)	A: VNYLETWDAFEKAVKNAGDKLVVIDFTAKWCGPCRMIGPKFEAMSSEFKNADFYKVDVDENPETAERNNVNCMPTFQFFKGGEKIHEFSGASEDKLRAAIQERC
Selected Chain(s)	A
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 A 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                                          (00:02:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:55)

• Minimal score value: -3.9716
• Maximal score value: 0.2174
• Average score: -1.4141
• Total score value: -147.0675

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	V	A	0.0228
2	N	A	-0.7938
3	Y	A	-0.2036
4	L	A	0.0000
5	E	A	-2.7876
6	T	A	-2.0015
7	W	A	-2.1655
8	D	A	-2.6654
9	A	A	-1.9112
10	F	A	0.0000
11	E	A	-2.8418
12	K	A	-3.4772
13	A	A	-2.3408
14	V	A	0.0000
15	K	A	-3.8760
16	N	A	-3.3345
17	A	A	-2.8201
18	G	A	-2.6749
19	D	A	-3.2706
20	K	A	-3.2436
21	L	A	0.0000
22	V	A	0.0000
23	V	A	0.0000
24	I	A	0.0000
25	D	A	0.0000
26	F	A	0.0000
27	T	A	0.0000
28	A	A	0.0000
29	K	A	-2.0067
30	W	A	-0.2032
31	C	A	0.0000
32	G	A	-0.7517
33	P	A	-0.3855
34	C	A	0.0000
35	R	A	-1.7732
36	M	A	-0.2781
37	I	A	0.0000
38	G	A	0.0000
39	P	A	-1.1181
40	K	A	-1.6327
41	F	A	0.0000
42	E	A	-1.8511
43	A	A	-1.3337
44	M	A	0.0000
45	S	A	-1.7120
46	S	A	-1.7287
47	E	A	-2.5698
48	F	A	-2.2134
49	K	A	-2.9031
50	N	A	-2.7732
51	A	A	-2.4035
52	D	A	-1.7555
53	F	A	0.0000
54	Y	A	-0.1040
55	K	A	0.0000
56	V	A	0.0000
57	D	A	-1.7430
58	V	A	-2.3569
59	D	A	-3.1892
60	E	A	-3.4714
61	N	A	0.0000
62	P	A	-2.9084
63	E	A	-3.6927
64	T	A	0.0000
65	A	A	0.0000
66	E	A	-3.9716
67	R	A	-3.6143
68	N	A	-2.7420
69	N	A	-2.9176
70	V	A	-1.8173
71	N	A	-1.5478
72	C	A	-0.1608
73	M	A	0.2174
74	P	A	0.0000
75	T	A	0.0000
76	F	A	0.0000
77	Q	A	0.0000
78	F	A	0.0000
79	F	A	0.0000
80	K	A	-2.6336
81	G	A	-2.8139
82	G	A	-3.1188
83	E	A	-2.6593
84	K	A	-1.9242
85	I	A	-0.3572
86	H	A	-0.8482
87	E	A	-1.1785
88	F	A	-0.7449
89	S	A	-0.5540
90	G	A	-0.4644
91	A	A	-0.9909
92	S	A	-1.8073
93	E	A	-2.7947
94	D	A	-3.4201
95	K	A	-3.2779
96	L	A	0.0000
97	R	A	-2.8683
98	A	A	-2.5177
99	A	A	0.0000
100	I	A	0.0000
101	Q	A	-2.4824
102	E	A	-2.5292
103	R	A	-1.5487
104	C	A	-1.7352