Project name: be5d1a1fcd2f619

Chain sequence(s)	A: MSHHHHHHSGMPDETPFEEFFSKLPEFIKKGKEAVESEEMKKLMPEEEREKVLKALENIEKLVSKNTKAVKIALKIIYLNIKDETASEEEKEKLDREWHELVMEYMSLSEEDREEFHELNHNMHIVFEAIERYPILKPVLEILKNS
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                                          (00:05:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:06)

• Minimal score value: -5.5845
• Maximal score value: 0.5622
• Average score: -1.9296
• Total score value: -281.7196

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	0.5622
2	S	A	-0.6128
3	H	A	-1.7451
4	H	A	-2.3361
5	H	A	-2.7460
6	H	A	-2.7494
7	H	A	-2.5731
8	H	A	-2.0333
9	S	A	-1.1511
10	G	A	-0.9582
11	M	A	-0.3644
12	P	A	-1.3228
13	D	A	-2.8870
14	E	A	-3.2179
15	T	A	-2.1532
16	P	A	-1.5321
17	F	A	-1.3595
18	E	A	-2.5996
19	E	A	-2.2426
20	F	A	0.0000
21	F	A	-0.8581
22	S	A	-1.2938
23	K	A	-1.4073
24	L	A	0.0000
25	P	A	-2.0587
26	E	A	-2.8749
27	F	A	0.0000
28	I	A	0.0000
29	K	A	-3.8509
30	K	A	-3.1770
31	G	A	0.0000
32	K	A	-3.3520
33	E	A	-3.6119
34	A	A	-2.7201
35	V	A	0.0000
36	E	A	-3.9990
37	S	A	-3.6321
38	E	A	-4.1864
39	E	A	-3.6729
40	M	A	0.0000
41	K	A	-4.2660
42	K	A	-3.2475
43	L	A	-1.0748
44	M	A	0.0000
45	P	A	-2.4357
46	E	A	-3.9624
47	E	A	-3.8007
48	E	A	0.0000
49	R	A	-3.6040
50	E	A	-4.3942
51	K	A	-3.8436
52	V	A	0.0000
53	L	A	-3.0154
54	K	A	-3.5034
55	A	A	0.0000
56	L	A	0.0000
57	E	A	-3.7259
58	N	A	-2.8297
59	I	A	0.0000
60	E	A	-3.7712
61	K	A	-3.4697
62	L	A	0.0000
63	V	A	-2.0167
64	S	A	-2.1563
65	K	A	-2.7524
66	N	A	-2.1214
67	T	A	-1.7715
68	K	A	-2.1932
69	A	A	0.0000
70	V	A	0.0000
71	K	A	-1.5782
72	I	A	0.0000
73	A	A	0.0000
74	L	A	0.0000
75	K	A	-1.0628
76	I	A	-0.5968
77	I	A	0.0000
78	Y	A	0.0000
79	L	A	0.0000
80	N	A	-2.2060
81	I	A	-1.9099
82	K	A	-2.4507
83	D	A	-3.4484
84	E	A	-2.8294
85	T	A	-1.9959
86	A	A	-2.7894
87	S	A	-2.7258
88	E	A	-4.0562
89	E	A	-4.3607
90	E	A	-4.3853
91	K	A	-5.3141
92	E	A	-5.5845
93	K	A	-5.2351
94	L	A	0.0000
95	D	A	-5.1061
96	R	A	-4.9642
97	E	A	-3.8197
98	W	A	-2.9453
99	H	A	-2.9328
100	E	A	-3.0370
101	L	A	0.0000
102	V	A	-0.1918
103	M	A	-0.3646
104	E	A	-1.1304
105	Y	A	-0.2984
106	M	A	0.5192
107	S	A	-0.2037
108	L	A	0.0000
109	S	A	-2.0574
110	E	A	-3.5532
111	E	A	-3.8946
112	D	A	-3.5548
113	R	A	-3.4487
114	E	A	-4.1732
115	E	A	-3.3288
116	F	A	0.0000
117	H	A	-2.8105
118	E	A	-2.8374
119	L	A	0.0000
120	N	A	-1.7626
121	H	A	-2.0105
122	N	A	0.0000
123	M	A	0.0000
124	H	A	-1.7422
125	I	A	-1.3889
126	V	A	0.0000
127	F	A	-1.7168
128	E	A	-2.9531
129	A	A	0.0000
130	I	A	0.0000
131	E	A	-3.3141
132	R	A	-3.1313
133	Y	A	-1.3550
134	P	A	-1.0305
135	I	A	-0.1141
136	L	A	0.0000
137	K	A	-1.5988
138	P	A	-1.2579
139	V	A	0.0000
140	L	A	-1.6032
141	E	A	-2.6715
142	I	A	-1.8990
143	L	A	0.0000
144	K	A	-2.6234
145	N	A	-2.4277
146	S	A	-1.7836