Project name: 7b8ac852a8c339f

Chain sequence(s)	A: MSHHHHHHSGPPWIAQPSEEEIEEFMTKFLRVVLTTLVKEGLIDKELADEFIEKGPSYFYENWEKVLESFYEKFKDLSLDEIVELSLKIYDLVMKALKENGIIPPESDKSSLAQWRRLHINHEVTWMAVDMVYYYGKKKGLPEEEIEKKMQEVFEKTSNS
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                                          (00:08:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:42)

• Minimal score value: -4.3427
• Maximal score value: 2.0361
• Average score: -1.5235
• Total score value: -243.7523

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	0.5552
2	S	A	-0.6221
3	H	A	-1.7551
4	H	A	-2.3436
5	H	A	-2.7669
6	H	A	-2.7744
7	H	A	-2.5128
8	H	A	-2.0921
9	S	A	-0.9141
10	G	A	-0.0021
11	P	A	0.5620
12	P	A	0.6982
13	W	A	1.7810
14	I	A	2.0361
15	A	A	0.4352
16	Q	A	-0.6704
17	P	A	-1.5485
18	S	A	-2.7867
19	E	A	-3.8792
20	E	A	-4.3427
21	E	A	-4.0962
22	I	A	-2.8389
23	E	A	-3.8539
24	E	A	-3.8150
25	F	A	-1.9980
26	M	A	-1.6516
27	T	A	-1.8256
28	K	A	-2.1965
29	F	A	0.0000
30	L	A	0.0000
31	R	A	-1.6704
32	V	A	-1.2613
33	V	A	0.0000
34	L	A	0.0000
35	T	A	-1.3895
36	T	A	0.0000
37	L	A	0.0000
38	V	A	-1.9030
39	K	A	-2.1909
40	E	A	-1.3621
41	G	A	-1.5725
42	L	A	0.0000
43	I	A	0.0000
44	D	A	-3.5771
45	K	A	-4.1623
46	E	A	-3.8556
47	L	A	-2.8286
48	A	A	0.0000
49	D	A	-4.1856
50	E	A	-3.2283
51	F	A	0.0000
52	I	A	-2.3929
53	E	A	-3.1549
54	K	A	-2.9099
55	G	A	-1.8333
56	P	A	0.0000
57	S	A	-0.8483
58	Y	A	-1.0906
59	F	A	0.0000
60	Y	A	-0.5444
61	E	A	-1.9434
62	N	A	-1.6857
63	W	A	0.0000
64	E	A	-2.9059
65	K	A	-2.3798
66	V	A	0.0000
67	L	A	0.0000
68	E	A	-3.0668
69	S	A	-2.4923
70	F	A	0.0000
71	Y	A	-2.5115
72	E	A	-3.3101
73	K	A	-3.0284
74	F	A	-2.0424
75	K	A	-2.7102
76	D	A	-2.5506
77	L	A	-1.3535
78	S	A	-1.5485
79	L	A	0.0000
80	D	A	-2.8089
81	E	A	-2.6913
82	I	A	0.0000
83	V	A	0.0000
84	E	A	-2.9187
85	L	A	-1.8118
86	S	A	0.0000
87	L	A	-1.8398
88	K	A	-2.1570
89	I	A	0.0000
90	Y	A	0.0000
91	D	A	-2.2750
92	L	A	-1.6176
93	V	A	0.0000
94	M	A	-1.8866
95	K	A	-2.8251
96	A	A	-2.1605
97	L	A	0.0000
98	K	A	-3.2882
99	E	A	-3.4336
100	N	A	-2.8725
101	G	A	-2.2872
102	I	A	0.0000
103	I	A	0.0000
104	P	A	-2.0407
105	P	A	-2.3463
106	E	A	-2.9198
107	S	A	-2.0085
108	D	A	-2.4443
109	K	A	-2.7590
110	S	A	-1.6184
111	S	A	-0.8744
112	L	A	-0.3910
113	A	A	0.0000
114	Q	A	-1.4161
115	W	A	0.0165
116	R	A	-0.9462
117	R	A	-0.8949
118	L	A	0.2018
119	H	A	-0.6114
120	I	A	0.0000
121	N	A	0.0000
122	H	A	-0.7894
123	E	A	-0.3270
124	V	A	0.0000
125	T	A	0.0000
126	W	A	0.7148
127	M	A	0.0000
128	A	A	0.0000
129	V	A	0.0000
130	D	A	0.0868
131	M	A	0.0000
132	V	A	0.0000
133	Y	A	-0.5932
134	Y	A	-1.0680
135	Y	A	0.0000
136	G	A	0.0000
137	K	A	-2.4801
138	K	A	-2.8714
139	K	A	-2.4476
140	G	A	-2.0124
141	L	A	-1.7130
142	P	A	-2.3808
143	E	A	-3.8982
144	E	A	-4.2503
145	E	A	-3.5863
146	I	A	0.0000
147	E	A	-4.3353
148	K	A	-4.2249
149	K	A	-2.9992
150	M	A	-2.0866
151	Q	A	-3.0863
152	E	A	-2.8508
153	V	A	0.0000
154	F	A	-1.9364
155	E	A	-3.3289
156	K	A	-3.1438
157	T	A	0.0000
158	S	A	-1.8123
159	N	A	-2.2328
160	S	A	-1.4631