Project name: c0219821d4cbeec

Chain sequence(s)	A: MSHHHHHHSGSEEALEEEREVMLERAIYHANKMFPGSTLVERWEEYKSLEDEELIERLEAEVRRLSETLPKEVGEVRLNNALGWIDHARWWIFEHPRNS
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                                          (00:02:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:56)

• Minimal score value: -3.8764
• Maximal score value: 0.5541
• Average score: -1.6401
• Total score value: -162.3682

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	0.5541
2	S	A	-0.6189
3	H	A	-1.7598
4	H	A	-2.3563
5	H	A	-2.7717
6	H	A	-2.7608
7	H	A	-2.6662
8	H	A	-2.8451
9	S	A	-2.1281
10	G	A	-1.9216
11	S	A	-2.0003
12	E	A	-3.2215
13	E	A	-3.7435
14	A	A	-2.5805
15	L	A	-2.4942
16	E	A	-3.1641
17	E	A	-3.0945
18	E	A	-1.9776
19	R	A	-1.7798
20	E	A	-1.3720
21	V	A	-0.0375
22	M	A	-0.7360
23	L	A	0.0000
24	E	A	-0.9346
25	R	A	-1.4304
26	A	A	0.0000
27	I	A	0.0000
28	Y	A	-0.2361
29	H	A	-0.8544
30	A	A	0.0000
31	N	A	-0.9951
32	K	A	-1.7149
33	M	A	-0.8589
34	F	A	0.0000
35	P	A	-0.8735
36	G	A	-0.8277
37	S	A	-0.9609
38	T	A	-0.9024
39	L	A	0.0000
40	V	A	-1.4867
41	E	A	-2.5745
42	R	A	-3.0703
43	W	A	-2.6007
44	E	A	-3.5234
45	E	A	-3.4763
46	Y	A	0.0000
47	K	A	-2.6429
48	S	A	-1.9421
49	L	A	-2.4253
50	E	A	-2.8959
51	D	A	-2.8754
52	E	A	-3.6042
53	E	A	-3.5594
54	L	A	0.0000
55	I	A	0.0000
56	E	A	-3.7230
57	R	A	-3.2967
58	L	A	0.0000
59	E	A	-2.8753
60	A	A	-2.5303
61	E	A	-2.3467
62	V	A	0.0000
63	R	A	-3.8764
64	R	A	-3.3630
65	L	A	-2.0857
66	S	A	0.0000
67	E	A	-3.2478
68	T	A	-1.5558
69	L	A	-1.4155
70	P	A	-1.8004
71	K	A	-3.0315
72	E	A	-2.5030
73	V	A	-0.9189
74	G	A	0.0000
75	E	A	-2.6971
76	V	A	-0.3094
77	R	A	-1.3681
78	L	A	-1.7389
79	N	A	-1.7219
80	N	A	-1.6229
81	A	A	0.0000
82	L	A	-1.3386
83	G	A	-1.3354
84	W	A	-0.9573
85	I	A	0.0000
86	D	A	-1.9052
87	H	A	-1.8006
88	A	A	0.0000
89	R	A	-1.7370
90	W	A	-0.8638
91	W	A	0.0000
92	I	A	0.0000
93	F	A	-0.6934
94	E	A	-1.9465
95	H	A	-1.7107
96	P	A	-1.7115
97	R	A	-2.3851
98	N	A	-1.8620
99	S	A	-1.3509