Project name: 8dc5167ac57be76

Chain sequence(s)	A: VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEGRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
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                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:19)

• Minimal score value: -3.5884
• Maximal score value: 0.8731
• Average score: -1.1142
• Total score value: -207.232

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	V	A	0.8731
2	G	A	0.5544
3	S	A	0.0439
4	L	A	0.1060
5	N	A	0.0000
6	C	A	0.0000
7	I	A	0.0000
8	V	A	0.0000
9	A	A	0.1014
10	V	A	0.0000
11	S	A	0.0000
12	Q	A	-2.1102
13	N	A	-1.7461
14	M	A	-0.7065
15	G	A	0.0000
16	I	A	-0.1812
17	G	A	-1.2687
18	K	A	-2.6012
19	N	A	-2.5397
20	G	A	-2.0784
21	D	A	-2.2271
22	L	A	-0.1662
23	P	A	-1.2607
24	W	A	0.0000
25	P	A	-0.6936
26	P	A	-1.0862
27	L	A	0.0000
28	R	A	-2.7803
29	N	A	-2.2480
30	E	A	-1.9213
31	G	A	-2.0538
32	R	A	-2.9066
33	Y	A	0.0000
34	F	A	-1.1017
35	Q	A	-1.8675
36	R	A	-1.8105
37	M	A	0.0000
38	T	A	0.0000
39	T	A	-0.9921
40	T	A	-0.5502
41	S	A	-0.6922
42	S	A	-0.3171
43	V	A	-0.3037
44	E	A	-1.8581
45	G	A	-1.7795
46	K	A	-1.5332
47	Q	A	-1.4491
48	N	A	0.0000
49	L	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	M	A	0.0000
53	G	A	-0.9855
54	K	A	-1.3849
55	K	A	-1.7342
56	T	A	-0.8300
57	W	A	0.0000
58	F	A	0.0251
59	S	A	-0.7625
60	I	A	-1.0640
61	P	A	-1.8379
62	E	A	-3.0840
63	K	A	-3.2024
64	N	A	-2.9543
65	R	A	-2.3858
66	P	A	-1.9542
67	L	A	0.0000
68	K	A	-2.2099
69	G	A	-1.4653
70	R	A	0.0000
71	I	A	-0.4646
72	N	A	0.0000
73	L	A	0.0000
74	V	A	0.0000
75	L	A	-1.2255
76	S	A	-2.7225
77	R	A	-3.5884
78	E	A	-3.5016
79	L	A	-2.7185
80	K	A	-3.3191
81	E	A	-2.8317
82	P	A	-1.4887
83	P	A	0.0000
84	Q	A	-1.9295
85	G	A	-1.4322
86	A	A	-0.8538
87	H	A	-0.6629
88	F	A	0.2086
89	L	A	-0.8763
90	S	A	0.0000
91	R	A	-3.2068
92	S	A	-2.1842
93	L	A	0.0000
94	D	A	-2.7323
95	D	A	-2.0649
96	A	A	0.0000
97	L	A	-1.4167
98	K	A	-2.7704
99	L	A	-1.9206
100	T	A	0.0000
101	E	A	-2.7033
102	Q	A	-2.5931
103	P	A	-2.2294
104	E	A	-2.8003
105	L	A	0.0000
106	A	A	-2.0024
107	N	A	-2.3383
108	K	A	-2.0862
109	V	A	0.0000
110	D	A	0.0000
111	M	A	0.2496
112	V	A	0.0000
113	W	A	0.0000
114	I	A	0.0000
115	V	A	0.2005
116	G	A	0.0000
117	G	A	-0.6087
118	S	A	-0.4901
119	S	A	-0.9837
120	V	A	0.0000
121	Y	A	0.0000
122	K	A	-2.9488
123	E	A	-2.8643
124	A	A	0.0000
125	M	A	0.0000
126	N	A	-2.5111
127	H	A	-2.1677
128	P	A	-1.8624
129	G	A	-1.9468
130	H	A	-2.0904
131	L	A	0.0000
132	K	A	-0.7460
133	L	A	0.0000
134	F	A	0.0000
135	V	A	0.0000
136	T	A	0.0000
137	R	A	-0.8517
138	I	A	0.0000
139	M	A	-1.3763
140	Q	A	-1.9033
141	D	A	-2.8151
142	F	A	-2.0736
143	E	A	-2.7533
144	S	A	-2.3186
145	D	A	-2.6302
146	T	A	-0.7616
147	F	A	0.4507
148	F	A	0.0000
149	P	A	0.0000
150	E	A	-1.9318
151	I	A	-1.7685
152	D	A	-2.3301
153	L	A	-0.9715
154	E	A	-2.4106
155	K	A	-2.9556
156	Y	A	0.0000
157	K	A	-1.8458
158	L	A	0.0918
159	L	A	-0.4484
160	P	A	-0.9462
161	E	A	-1.4926
162	Y	A	-0.5446
163	P	A	-0.4731
164	G	A	-0.4591
165	V	A	-0.0994
166	L	A	0.3547
167	S	A	-0.8702
168	D	A	-1.1989
169	V	A	-0.7359
170	Q	A	-1.5703
171	E	A	-2.9132
172	E	A	0.0000
173	K	A	-2.8088
174	G	A	-2.1598
175	I	A	0.0000
176	K	A	-2.5455
177	Y	A	0.0000
178	K	A	-1.1947
179	F	A	0.0000
180	E	A	-0.3954
181	V	A	0.0000
182	Y	A	0.0000
183	E	A	-1.1774
184	K	A	0.0000
185	N	A	-3.0888
186	D	A	-3.1021