Project name: 9578cb1c3804636

Chain sequence(s)	A: MSHHHHHHSGFPEKPLYIYPYDAAYNLEFYLKYALVENEKDSEYYYNQLKKILPLYPLSPEELEKELKTVLERLKDPSRRYYGIKKFVELMTLALSKAYLYKKEGNYEKAKEYLEVAEKYLKEVEELIPKIEEIDPWDAKYLKSYIERLKELLEKVKENS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:28)

• Minimal score value: -4.0568
• Maximal score value: 2.4355
• Average score: -1.2205
• Total score value: -195.2779

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	0.5649
2	S	A	-0.6063
3	H	A	-1.7302
4	H	A	-2.3319
5	H	A	-2.7157
6	H	A	-2.7463
7	H	A	-2.5358
8	H	A	-1.8929
9	S	A	-1.0570
10	G	A	-0.4798
11	F	A	0.6661
12	P	A	-0.8983
13	E	A	-2.4914
14	K	A	-2.1541
15	P	A	-0.6642
16	L	A	0.8339
17	Y	A	1.9546
18	I	A	2.4355
19	Y	A	2.3483
20	P	A	1.5153
21	Y	A	1.5953
22	D	A	0.6984
23	A	A	0.5910
24	A	A	0.0000
25	Y	A	0.6889
26	N	A	0.0000
27	L	A	0.0000
28	E	A	-0.4140
29	F	A	0.2499
30	Y	A	0.0000
31	L	A	0.0000
32	K	A	-1.1521
33	Y	A	0.0000
34	A	A	0.0000
35	L	A	0.0000
36	V	A	-1.8138
37	E	A	-3.0352
38	N	A	-3.2192
39	E	A	-3.1513
40	K	A	-3.4278
41	D	A	-3.2123
42	S	A	-2.6797
43	E	A	-2.7192
44	Y	A	-1.1388
45	Y	A	-1.1196
46	Y	A	-1.5047
47	N	A	-1.7484
48	Q	A	-1.2939
49	L	A	0.0000
50	K	A	-1.5891
51	K	A	-1.9623
52	I	A	-0.4785
53	L	A	0.0000
54	P	A	0.0921
55	L	A	1.2846
56	Y	A	1.0817
57	P	A	0.2992
58	L	A	-0.3887
59	S	A	-1.4299
60	P	A	0.0000
61	E	A	-3.3210
62	E	A	-3.1528
63	L	A	0.0000
64	E	A	-3.3948
65	K	A	-3.9074
66	E	A	-3.0454
67	L	A	0.0000
68	K	A	-3.4991
69	T	A	-2.4771
70	V	A	0.0000
71	L	A	-2.5038
72	E	A	-3.3822
73	R	A	-2.6636
74	L	A	0.0000
75	K	A	-3.3905
76	D	A	-2.6745
77	P	A	-1.1715
78	S	A	-1.0948
79	R	A	-1.4533
80	R	A	0.0000
81	Y	A	0.3400
82	Y	A	0.4553
83	G	A	0.0000
84	I	A	0.0000
85	K	A	-0.9843
86	K	A	-1.2674
87	F	A	0.0000
88	V	A	0.0000
89	E	A	-1.1196
90	L	A	0.0000
91	M	A	0.0000
92	T	A	0.0000
93	L	A	0.0000
94	A	A	0.0000
95	L	A	0.0000
96	S	A	0.0000
97	K	A	0.0000
98	A	A	0.0000
99	Y	A	0.0000
100	L	A	0.0000
101	Y	A	-1.7829
102	K	A	-2.3580
103	K	A	-2.7721
104	E	A	-2.8541
105	G	A	-2.2371
106	N	A	-2.2068
107	Y	A	-1.9641
108	E	A	-2.9232
109	K	A	-2.5324
110	A	A	0.0000
111	K	A	-3.5883
112	E	A	-3.6249
113	Y	A	0.0000
114	L	A	-2.5168
115	E	A	-3.1084
116	V	A	0.0000
117	A	A	0.0000
118	E	A	-2.8225
119	K	A	-3.3532
120	Y	A	0.0000
121	L	A	0.0000
122	K	A	-4.0568
123	E	A	-3.9435
124	V	A	0.0000
125	E	A	-3.2696
126	E	A	-3.4764
127	L	A	-2.6190
128	I	A	0.0000
129	P	A	-2.2492
130	K	A	-2.9719
131	I	A	0.0000
132	E	A	-2.7003
133	E	A	-2.3436
134	I	A	0.0598
135	D	A	-0.8247
136	P	A	-1.1467
137	W	A	0.2536
138	D	A	0.0000
139	A	A	0.0000
140	K	A	-1.8883
141	Y	A	-0.4826
142	L	A	0.0000
143	K	A	-2.1837
144	S	A	-1.5791
145	Y	A	-1.6007
146	I	A	0.0000
147	E	A	-3.2116
148	R	A	-2.6363
149	L	A	0.0000
150	K	A	-3.4112
151	E	A	-3.8244
152	L	A	0.0000
153	L	A	0.0000
154	E	A	-3.9165
155	K	A	-3.4783
156	V	A	0.0000
157	K	A	-3.0187
158	E	A	-3.3197
159	N	A	-2.6452
160	S	A	-1.5580