Project name: Sirius_5

Chain sequence(s)	A: LIVTQTLKGLDIQKVAGTWYSLACAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCCENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPLHIRLSFNPTQLEEQCHIMEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
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                                          (00:05:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:13)

• Minimal score value: -3.9237
• Maximal score value: 2.1158
• Average score: -1.0428
• Total score value: -200.2134

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	L	A	1.2658
2	I	A	2.0439
3	V	A	0.0000
4	T	A	0.1096
5	Q	A	-1.1341
6	T	A	-0.8468
7	L	A	-1.0050
8	K	A	-1.9525
9	G	A	-1.2340
10	L	A	-1.1153
11	D	A	-1.5815
12	I	A	-1.3920
13	Q	A	-2.1883
14	K	A	-2.5753
15	V	A	0.0000
16	A	A	-1.2871
17	G	A	-1.1078
18	T	A	-0.5402
19	W	A	0.0000
20	Y	A	-0.5612
21	S	A	0.0000
22	L	A	0.0000
23	A	A	0.0000
24	C	A	0.0000
25	A	A	0.0000
26	A	A	0.0000
27	S	A	-0.8945
28	D	A	-1.6456
29	I	A	-0.7635
30	S	A	-0.7236
31	L	A	-0.4998
32	L	A	0.0000
33	D	A	-1.2115
34	A	A	-0.6425
35	Q	A	-0.9407
36	S	A	-1.1372
37	A	A	0.0000
38	P	A	-0.4456
39	L	A	0.0691
40	R	A	0.0000
41	V	A	-0.1195
42	Y	A	0.0000
43	V	A	0.0000
44	E	A	-1.0816
45	E	A	-1.0665
46	L	A	0.0000
47	K	A	-1.3029
48	P	A	-1.4988
49	T	A	-1.4700
50	P	A	-1.4429
51	E	A	-2.4147
52	G	A	-2.0473
53	D	A	-2.0001
54	L	A	0.0000
55	E	A	-0.9523
56	I	A	0.0000
57	L	A	-1.3020
58	L	A	0.0000
59	Q	A	-1.5412
60	K	A	-1.4756
61	W	A	-2.2435
62	E	A	-3.5144
63	N	A	-3.4491
64	D	A	-3.8308
65	E	A	-3.7037
66	C	A	-2.3819
67	A	A	-2.0273
68	Q	A	-2.3737
69	K	A	-2.1641
70	K	A	-2.1272
71	I	A	-0.7064
72	I	A	-0.5759
73	A	A	0.0000
74	E	A	-2.5839
75	K	A	-2.4044
76	T	A	-1.6628
77	K	A	-1.5943
78	I	A	-0.5943
79	P	A	-0.8943
80	A	A	0.0000
81	V	A	0.0000
82	F	A	0.0000
83	K	A	-2.1439
84	I	A	0.0000
85	D	A	-2.1884
86	A	A	-0.4484
87	L	A	-0.0829
88	N	A	-1.9772
89	E	A	-3.0468
90	N	A	0.0000
91	K	A	-1.8145
92	V	A	0.0000
93	L	A	0.0000
94	V	A	0.0000
95	L	A	-0.3023
96	D	A	-0.6347
97	T	A	-0.9506
98	D	A	-1.4441
99	Y	A	-1.8353
100	K	A	-2.5482
101	K	A	-2.2299
102	Y	A	0.0000
103	L	A	0.0000
104	L	A	0.0000
105	F	A	0.2051
106	C	A	0.0000
107	C	A	-0.2383
108	E	A	-0.5739
109	N	A	-1.5792
110	S	A	-1.8804
111	A	A	-2.4309
112	E	A	-3.1158
113	P	A	-2.4547
114	E	A	-3.1042
115	Q	A	-2.2899
116	S	A	-1.1526
117	L	A	0.0000
118	V	A	0.0000
119	C	A	0.0000
120	Q	A	0.0000
121	C	A	0.0000
122	L	A	0.0000
123	V	A	0.0000
124	R	A	-1.3563
125	T	A	-0.9453
126	P	A	-1.2688
127	E	A	-1.4902
128	V	A	-0.1591
129	D	A	-1.6808
130	D	A	-3.0509
131	E	A	-3.4836
132	A	A	0.0000
133	L	A	-2.3638
134	E	A	-3.9237
135	K	A	-3.0678
136	F	A	0.0000
137	D	A	-3.1161
138	K	A	-3.2627
139	A	A	-2.0547
140	L	A	-1.8326
141	K	A	-2.4441
142	A	A	-1.2557
143	L	A	-0.3557
144	P	A	-0.3923
145	L	A	-0.8241
146	H	A	-1.6617
147	I	A	0.0000
148	R	A	-1.0440
149	L	A	0.0000
150	S	A	-0.6186
151	F	A	0.0000
152	N	A	-1.8442
153	P	A	-1.6583
154	T	A	-1.6892
155	Q	A	-2.7131
156	L	A	0.0000
157	E	A	-3.0874
158	E	A	-3.1440
159	Q	A	0.0000
160	C	A	0.0000
161	H	A	-1.8472
162	I	A	-1.1089
163	M	A	-0.0644
164	E	A	-1.5943
165	G	A	-1.0311
166	T	A	-0.6163
167	F	A	-0.5302
168	T	A	-0.8108
169	S	A	-1.0404
170	D	A	-2.1564
171	V	A	0.0000
172	S	A	-1.0783
173	S	A	-1.2103
174	Y	A	-0.6027
175	L	A	-1.1134
176	E	A	-2.4110
177	G	A	-1.5226
178	Q	A	-1.6795
179	A	A	-1.1787
180	A	A	-0.7128
181	K	A	-1.6218
182	E	A	-1.0138
183	F	A	1.7007
184	I	A	2.1158
185	A	A	1.0264
186	W	A	1.0257
187	L	A	1.4468
188	V	A	1.6176
189	R	A	-0.6895
190	G	A	-1.2262
191	R	A	-2.0810
192	G	A	-1.6694