Project name: aff78e534505632

Chain sequence(s)	A: MSHHHHHHSGKVEEIKKILEELKKLKEVVEEAEEILKEVEEKGVDVVYAFGKIYRKFKDFAKTAKEKEVKELVKEILEILNKINNSWFFYEYYYGNKELVYKKVKDAVEEIKKKVEEEIKKYEEELKKAENS
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                                          (00:09:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:45)

• Minimal score value: -4.439
• Maximal score value: 2.3482
• Average score: -1.9226
• Total score value: -253.7816

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	0.3127
2	S	A	-0.8605
3	H	A	-1.9690
4	H	A	-2.3695
5	H	A	-2.5720
6	H	A	-2.7502
7	H	A	-2.5050
8	H	A	-2.5000
9	S	A	-2.4304
10	G	A	-2.4347
11	K	A	-2.8772
12	V	A	-3.2688
13	E	A	-3.6658
14	E	A	-3.9918
15	I	A	0.0000
16	K	A	-3.5911
17	K	A	-3.9252
18	I	A	0.0000
19	L	A	0.0000
20	E	A	-3.6215
21	E	A	0.0000
22	L	A	0.0000
23	K	A	-3.3776
24	K	A	-3.4978
25	L	A	0.0000
26	K	A	-3.1715
27	E	A	-3.7568
28	V	A	-2.9117
29	V	A	0.0000
30	E	A	-3.8022
31	E	A	-3.6750
32	A	A	0.0000
33	E	A	-3.3384
34	E	A	-3.5122
35	I	A	-2.2664
36	L	A	0.0000
37	K	A	-4.0684
38	E	A	-3.7631
39	V	A	0.0000
40	E	A	-4.0158
41	E	A	-4.2330
42	K	A	-3.7925
43	G	A	-2.7192
44	V	A	-1.5805
45	D	A	-0.9355
46	V	A	0.0000
47	V	A	0.7011
48	Y	A	0.9790
49	A	A	0.0000
50	F	A	0.0000
51	G	A	-0.5496
52	K	A	-1.3777
53	I	A	0.0000
54	Y	A	-1.8445
55	R	A	-3.0932
56	K	A	-2.5245
57	F	A	0.0000
58	K	A	-3.2674
59	D	A	-3.3620
60	F	A	-2.2352
61	A	A	-2.9554
62	K	A	-2.8696
63	T	A	-1.9293
64	A	A	0.0000
65	K	A	-3.0993
66	E	A	-3.5509
67	K	A	-3.6063
68	E	A	-3.2909
69	V	A	0.0000
70	K	A	-4.1041
71	E	A	-4.0565
72	L	A	0.0000
73	V	A	0.0000
74	K	A	-3.7395
75	E	A	-3.2312
76	I	A	0.0000
77	L	A	0.0000
78	E	A	-2.8451
79	I	A	-2.0750
80	L	A	0.0000
81	N	A	-2.7191
82	K	A	-2.7516
83	I	A	-1.4524
84	N	A	-1.6732
85	N	A	-1.1737
86	S	A	0.3644
87	W	A	1.5533
88	F	A	0.0000
89	F	A	2.0801
90	Y	A	2.2908
91	E	A	1.1820
92	Y	A	1.1390
93	Y	A	2.3482
94	Y	A	1.8209
95	G	A	-0.0861
96	N	A	-0.7799
97	K	A	-1.8233
98	E	A	-2.7588
99	L	A	-1.5198
100	V	A	0.0000
101	Y	A	0.0000
102	K	A	-3.1269
103	K	A	-2.5794
104	V	A	0.0000
105	K	A	-3.1919
106	D	A	-3.8849
107	A	A	0.0000
108	V	A	0.0000
109	E	A	-4.0664
110	E	A	-3.8306
111	I	A	0.0000
112	K	A	-3.5844
113	K	A	-3.8640
114	K	A	-3.3161
115	V	A	0.0000
116	E	A	-3.4718
117	E	A	-4.1071
118	E	A	-3.3697
119	I	A	-3.4097
120	K	A	-4.2333
121	K	A	-4.1283
122	Y	A	0.0000
123	E	A	-3.9299
124	E	A	-4.4390
125	E	A	-3.9082
126	L	A	-4.1598
127	K	A	-4.3698
128	K	A	-4.2614
129	A	A	0.0000
130	E	A	-3.7373
131	N	A	-3.3181
132	S	A	-2.1697