Project name: fb617517a64423b

Chain sequence(s)	A: MSHHHHHHSGPLPPPRNLYVIAYIPKEFDSNGDATSYEFYDVKVEKITQVSETKYKVEVKATSWENPEEIYNIELEVEIDPSASYREIKDKVREAFRKYFLSLQNS
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                                          (00:03:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:46)

• Minimal score value: -3.948
• Maximal score value: 0.7136
• Average score: -1.3156
• Total score value: -139.4525

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	0.5554
2	S	A	-0.6228
3	H	A	-1.7368
4	H	A	-2.3596
5	H	A	-2.7349
6	H	A	-2.7915
7	H	A	-2.7389
8	H	A	-2.3356
9	S	A	-1.8737
10	G	A	-0.9676
11	P	A	-0.8830
12	L	A	-0.4857
13	P	A	-0.4623
14	P	A	-1.3970
15	P	A	-1.9918
16	R	A	-2.8463
17	N	A	-2.2755
18	L	A	0.0000
19	Y	A	-0.3824
20	V	A	0.0000
21	I	A	0.3830
22	A	A	0.0000
23	Y	A	0.5688
24	I	A	0.0000
25	P	A	-0.6763
26	K	A	-1.8522
27	E	A	-2.1286
28	F	A	-0.8068
29	D	A	-1.7661
30	S	A	-1.3883
31	N	A	-2.1389
32	G	A	-1.9572
33	D	A	-2.4316
34	A	A	-1.3649
35	T	A	-0.9484
36	S	A	-0.6635
37	Y	A	0.3396
38	E	A	-0.2331
39	F	A	0.7136
40	Y	A	0.0000
41	D	A	0.2183
42	V	A	0.0000
43	K	A	-1.7844
44	V	A	0.0000
45	E	A	-2.8941
46	K	A	-2.9203
47	I	A	-1.5292
48	T	A	-0.8413
49	Q	A	-1.0057
50	V	A	0.2362
51	S	A	-0.8570
52	E	A	-2.3724
53	T	A	-2.1472
54	K	A	-2.2591
55	Y	A	0.0000
56	K	A	-2.1697
57	V	A	0.0000
58	E	A	-3.1119
59	V	A	0.0000
60	K	A	-1.6698
61	A	A	0.0000
62	T	A	-0.7350
63	S	A	0.0000
64	W	A	-0.6088
65	E	A	-2.3177
66	N	A	-2.5853
67	P	A	-1.9773
68	E	A	-2.6005
69	E	A	-1.8871
70	I	A	0.3027
71	Y	A	-0.1829
72	N	A	-1.7515
73	I	A	0.0000
74	E	A	-3.0311
75	L	A	0.0000
76	E	A	-2.8931
77	V	A	0.0000
78	E	A	-3.1554
79	I	A	0.0000
80	D	A	-2.8911
81	P	A	-2.1616
82	S	A	-1.4591
83	A	A	-1.4303
84	S	A	-1.2162
85	Y	A	-0.7402
86	R	A	-2.8566
87	E	A	-3.3951
88	I	A	0.0000
89	K	A	-2.7630
90	D	A	-3.9480
91	K	A	-3.7728
92	V	A	0.0000
93	R	A	-2.6256
94	E	A	-3.3256
95	A	A	-2.8703
96	F	A	0.0000
97	R	A	-1.6266
98	K	A	-2.0153
99	Y	A	-1.0908
100	F	A	0.0000
101	L	A	-0.9761
102	S	A	-0.7958
103	L	A	-0.3254
104	Q	A	-1.4545
105	N	A	-1.6194
106	S	A	-0.8816