Project name: 80e593989cfa6da

Chain sequence(s)	A: ALEKLKELLKKHGFSEKTIDYLLERNPGAMKVLAELYEAGADDDFIVRQVNRLLEGLLRRLREKMSAAETFEEILAYYEEINELRS
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]                                                (00:00:00)
[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 A 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                                          (00:02:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -4.5763
• Maximal score value: 0.8682
• Average score: -1.8279
• Total score value: -157.2026

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	A	A	-0.8045
2	L	A	-2.0709
3	E	A	-2.8750
4	K	A	-3.3427
5	L	A	0.0000
6	K	A	-3.3586
7	E	A	-3.7880
8	L	A	0.0000
9	L	A	0.0000
10	K	A	-3.9287
11	K	A	-3.4511
12	H	A	-2.6046
13	G	A	-1.8418
14	F	A	-1.9959
15	S	A	-2.5226
16	E	A	-3.4128
17	K	A	-3.1763
18	T	A	0.0000
19	I	A	0.0000
20	D	A	-3.4013
21	Y	A	0.0000
22	L	A	0.0000
23	L	A	-2.2764
24	E	A	-2.9505
25	R	A	-2.4976
26	N	A	-1.7870
27	P	A	-1.5423
28	G	A	-1.0957
29	A	A	-0.6612
30	M	A	0.0000
31	K	A	-1.4022
32	V	A	-0.0289
33	L	A	0.0000
34	A	A	0.0000
35	E	A	-2.1389
36	L	A	-0.9482
37	Y	A	-1.6792
38	E	A	-2.5330
39	A	A	-1.5221
40	G	A	-1.6532
41	A	A	-1.6890
42	D	A	-2.6279
43	D	A	-2.7990
44	D	A	-2.7781
45	F	A	-1.3367
46	I	A	0.0000
47	V	A	-1.9961
48	R	A	-2.6048
49	Q	A	-2.1479
50	V	A	0.0000
51	N	A	-2.3985
52	R	A	-3.2340
53	L	A	-2.0359
54	L	A	-2.2451
55	E	A	-3.7400
56	G	A	-2.9284
57	L	A	0.0000
58	L	A	-3.4588
59	R	A	-4.5097
60	R	A	-4.5763
61	L	A	-3.6232
62	R	A	-4.3197
63	E	A	-4.3852
64	K	A	-3.7415
65	M	A	-2.0382
66	S	A	-2.0312
67	A	A	-1.7130
68	A	A	-1.6137
69	E	A	-1.9216
70	T	A	-0.5460
71	F	A	0.8682
72	E	A	-0.9401
73	E	A	-1.1696
74	I	A	0.0003
75	L	A	0.6579
76	A	A	-0.2699
77	Y	A	-0.9073
78	Y	A	-0.5943
79	E	A	-2.0212
80	E	A	-1.8499
81	I	A	0.0000
82	N	A	-2.4286
83	E	A	-2.6985
84	L	A	0.0000
85	R	A	-3.1108
86	S	A	-2.4081