Project name: ed4413a8de8031

Chain sequence(s)	A: MSHHHHHHSGSAEEEKKKYLEEALEVVKEMRKLYEAGKPWEEMLALMPKLLIALRKAFPERKRIVIHHNRNEPEEFIERLEKFIEELMKNS
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                                          (00:02:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:42)

• Minimal score value: -4.5016
• Maximal score value: 1.3463
• Average score: -2.0496
• Total score value: -186.5144

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	M	A	0.5531
2	S	A	-0.6084
3	H	A	-1.7320
4	H	A	-2.3403
5	H	A	-2.7248
6	H	A	-2.7781
7	H	A	-2.5578
8	H	A	-2.3437
9	S	A	-2.0022
10	G	A	-2.4604
11	S	A	-2.5073
12	A	A	-2.7219
13	E	A	-3.9253
14	E	A	-4.3714
15	E	A	-4.3717
16	K	A	-4.0494
17	K	A	-4.1574
18	K	A	-4.5016
19	Y	A	-3.4492
20	L	A	0.0000
21	E	A	-3.9593
22	E	A	-3.8597
23	A	A	0.0000
24	L	A	-2.6335
25	E	A	-3.3996
26	V	A	0.0000
27	V	A	0.0000
28	K	A	-2.7415
29	E	A	-2.7216
30	M	A	0.0000
31	R	A	-2.8961
32	K	A	-3.0835
33	L	A	-2.2247
34	Y	A	-2.2141
35	E	A	-2.8838
36	A	A	-1.7397
37	G	A	-1.6948
38	K	A	-2.3950
39	P	A	-1.5866
40	W	A	-1.9159
41	E	A	-2.3737
42	E	A	-2.0412
43	M	A	0.0000
44	L	A	-1.0438
45	A	A	-0.8061
46	L	A	-0.8183
47	M	A	0.0000
48	P	A	-0.2294
49	K	A	-1.3088
50	L	A	0.0000
51	L	A	0.5354
52	I	A	0.4683
53	A	A	0.0000
54	L	A	0.0000
55	R	A	-2.7113
56	K	A	-2.4731
57	A	A	0.0000
58	F	A	0.0000
59	P	A	-2.9219
60	E	A	-3.5118
61	R	A	-3.7659
62	K	A	-3.7832
63	R	A	-2.8686
64	I	A	-0.2618
65	V	A	1.3463
66	I	A	0.2979
67	H	A	-1.4735
68	H	A	-2.2657
69	N	A	-3.7045
70	R	A	-4.1400
71	N	A	-3.6474
72	E	A	-4.0015
73	P	A	-3.4589
74	E	A	-3.8511
75	E	A	-3.9168
76	F	A	0.0000
77	I	A	0.0000
78	E	A	-3.0220
79	R	A	-3.3609
80	L	A	0.0000
81	E	A	-2.5391
82	K	A	-2.9037
83	F	A	-1.3257
84	I	A	0.0000
85	E	A	-3.1005
86	E	A	-3.2601
87	L	A	-2.1161
88	M	A	-2.8704
89	K	A	-3.2192
90	N	A	-2.6728
91	S	A	-2.3943