Project name: 914905850e1d161

Chain sequence(s)	A: MSHHHHHHSGAKNIFHWFFEESSKLSDEELEKLLRSFAGDLQNAFLVYLDSDEEGKKHAYLILVDMLEDMMKIIAEATGKDVEEMLKGVEKLKEESEGDPIKLLELFFEEVLKGMEEFPDAKIMELLKKGKPMAGLSYEEQLKWLKEFAERLIKLLKESEKLSEEEKEKLKEEFDKLLGEFMGNS
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                                          (00:06:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:00)

• Minimal score value: -5.2094
• Maximal score value: 0.5551
• Average score: -1.8156
• Total score value: -335.8869

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	0.5551
2	S	A	-0.6182
3	H	A	-1.7533
4	H	A	-2.3468
5	H	A	-2.7666
6	H	A	-2.7751
7	H	A	-2.5733
8	H	A	-2.1950
9	S	A	-1.6854
10	G	A	-1.5233
11	A	A	-1.5323
12	K	A	-2.1548
13	N	A	-1.7528
14	I	A	0.0000
15	F	A	0.0000
16	H	A	-1.6534
17	W	A	0.0000
18	F	A	0.0000
19	F	A	0.0000
20	E	A	-2.8004
21	E	A	-2.1329
22	S	A	0.0000
23	S	A	-1.6218
24	K	A	-2.3737
25	L	A	0.0000
26	S	A	-2.4946
27	D	A	-3.5847
28	E	A	-3.8178
29	E	A	-3.4055
30	L	A	0.0000
31	E	A	-3.8408
32	K	A	-3.6585
33	L	A	0.0000
34	L	A	-1.8164
35	R	A	-2.7642
36	S	A	-2.0230
37	F	A	0.0000
38	A	A	0.0000
39	G	A	-1.1667
40	D	A	-1.4165
41	L	A	0.0000
42	Q	A	-1.0138
43	N	A	-0.9089
44	A	A	0.0000
45	F	A	0.0000
46	L	A	-0.6313
47	V	A	-1.0574
48	Y	A	0.0000
49	L	A	0.0000
50	D	A	-2.7528
51	S	A	-3.1293
52	D	A	-4.2050
53	E	A	-4.2393
54	E	A	-4.2474
55	G	A	0.0000
56	K	A	-3.3317
57	K	A	-3.0866
58	H	A	-1.6249
59	A	A	0.0000
60	Y	A	-1.1700
61	L	A	-0.1149
62	I	A	-0.4705
63	L	A	0.0000
64	V	A	0.0000
65	D	A	-1.9266
66	M	A	0.0000
67	L	A	0.0000
68	E	A	-2.0183
69	D	A	-1.9923
70	M	A	0.0000
71	M	A	0.0000
72	K	A	-1.9954
73	I	A	-1.4309
74	I	A	0.0000
75	A	A	0.0000
76	E	A	-2.5016
77	A	A	-1.7025
78	T	A	0.0000
79	G	A	-1.9735
80	K	A	-2.7995
81	D	A	-3.4754
82	V	A	-2.7563
83	E	A	-3.5030
84	E	A	-3.8221
85	M	A	0.0000
86	L	A	-2.7737
87	K	A	-3.4489
88	G	A	-2.6677
89	V	A	0.0000
90	E	A	-3.7953
91	K	A	-3.5671
92	L	A	0.0000
93	K	A	-3.7005
94	E	A	-4.3765
95	E	A	-4.1841
96	S	A	0.0000
97	E	A	-3.5678
98	G	A	-2.5965
99	D	A	-2.5171
100	P	A	0.0000
101	I	A	0.0000
102	K	A	-2.4654
103	L	A	0.0000
104	L	A	0.0000
105	E	A	-2.6009
106	L	A	-1.6492
107	F	A	0.0000
108	F	A	0.0000
109	E	A	-2.1851
110	E	A	-1.8758
111	V	A	-1.2521
112	L	A	-2.0363
113	K	A	-2.9714
114	G	A	0.0000
115	M	A	0.0000
116	E	A	-3.4495
117	E	A	-3.3067
118	F	A	-2.5045
119	P	A	-2.4450
120	D	A	-2.8035
121	A	A	0.0000
122	K	A	-2.2380
123	I	A	0.0000
124	M	A	0.0000
125	E	A	-2.7822
126	L	A	-2.1191
127	L	A	-1.6441
128	K	A	-2.4404
129	K	A	-2.8545
130	G	A	-2.3769
131	K	A	-2.7687
132	P	A	-1.6029
133	M	A	0.0000
134	A	A	-1.8879
135	G	A	-1.4177
136	L	A	-1.5732
137	S	A	-1.5425
138	Y	A	-2.1725
139	E	A	-3.0881
140	E	A	-3.0258
141	Q	A	0.0000
142	L	A	0.0000
143	K	A	-3.3310
144	W	A	-2.3223
145	L	A	0.0000
146	K	A	-3.1262
147	E	A	-3.5776
148	F	A	0.0000
149	A	A	0.0000
150	E	A	-4.0235
151	R	A	-3.7396
152	L	A	0.0000
153	I	A	0.0000
154	K	A	-3.5932
155	L	A	0.0000
156	L	A	0.0000
157	K	A	-3.4682
158	E	A	-3.8873
159	S	A	0.0000
160	E	A	-3.7269
161	K	A	-3.5217
162	L	A	-3.2471
163	S	A	-2.8013
164	E	A	-4.3359
165	E	A	-4.3431
166	E	A	-4.3773
167	K	A	-4.9498
168	E	A	-5.2094
169	K	A	-4.9452
170	L	A	0.0000
171	K	A	-3.7532
172	E	A	-4.5128
173	E	A	-3.9266
174	F	A	0.0000
175	D	A	-3.2866
176	K	A	-3.5456
177	L	A	0.0000
178	L	A	0.0000
179	G	A	-2.1050
180	E	A	-2.1626
181	F	A	-0.9795
182	M	A	-1.2471
183	G	A	-1.9867
184	N	A	-2.1445
185	S	A	-1.8611