Project name: Sirius_4

Chain sequence(s)	A: LIVTQTLKGLDIQKVAGTWYSLALAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCLENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPLHIRLSFNPTQLEEQCHIMEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
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                                          (00:05:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:48)

• Minimal score value: -3.8184
• Maximal score value: 2.0524
• Average score: -1.0182
• Total score value: -195.5024

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	1.1492
2	I	A	2.0524
3	V	A	0.0000
4	T	A	0.1169
5	Q	A	-1.1335
6	T	A	-0.8044
7	L	A	-1.0124
8	K	A	-1.9188
9	G	A	-1.3051
10	L	A	-1.1038
11	D	A	-1.5770
12	I	A	-1.4650
13	Q	A	-2.1898
14	K	A	-2.5266
15	V	A	0.0000
16	A	A	-1.3009
17	G	A	-1.1213
18	T	A	-0.5824
19	W	A	0.0000
20	Y	A	-0.7350
21	S	A	0.0000
22	L	A	0.0000
23	A	A	0.0000
24	L	A	0.0000
25	A	A	0.0000
26	A	A	0.0000
27	S	A	-0.8499
28	D	A	-1.4749
29	I	A	-0.5049
30	S	A	-0.5359
31	L	A	-0.3246
32	L	A	0.0000
33	D	A	-0.9766
34	A	A	-0.5188
35	Q	A	-0.8308
36	S	A	-0.9659
37	A	A	0.0000
38	P	A	-0.3546
39	L	A	0.1278
40	R	A	0.0000
41	V	A	-0.0631
42	Y	A	0.0000
43	V	A	0.0000
44	E	A	-1.3989
45	E	A	-1.1725
46	L	A	0.0000
47	K	A	-1.4136
48	P	A	-1.5543
49	T	A	-1.5857
50	P	A	-1.4586
51	E	A	-2.5415
52	G	A	-2.2755
53	D	A	-2.3517
54	L	A	0.0000
55	E	A	-1.0316
56	I	A	0.0000
57	L	A	-1.4003
58	L	A	0.0000
59	Q	A	-1.7870
60	K	A	0.0000
61	W	A	-2.0064
62	E	A	-3.1922
63	N	A	-3.3066
64	D	A	-3.7831
65	E	A	-3.6749
66	C	A	-2.3528
67	A	A	-1.8749
68	Q	A	-2.2711
69	K	A	-2.0365
70	K	A	-2.1423
71	I	A	-0.7064
72	I	A	-0.8102
73	A	A	0.0000
74	E	A	-3.1495
75	K	A	-3.0841
76	T	A	-1.9597
77	K	A	-1.5892
78	I	A	-0.3633
79	P	A	-0.8068
80	A	A	0.0000
81	V	A	0.0000
82	F	A	0.0000
83	K	A	-2.5517
84	I	A	0.0000
85	D	A	-2.4644
86	A	A	-0.7850
87	L	A	-0.6214
88	N	A	-2.2648
89	E	A	-3.0671
90	N	A	0.0000
91	K	A	-1.6192
92	V	A	0.0000
93	L	A	0.0000
94	V	A	0.0000
95	L	A	-0.3862
96	D	A	-0.6752
97	T	A	-0.7279
98	D	A	-1.5781
99	Y	A	-1.7660
100	K	A	-2.4402
101	K	A	-2.0238
102	Y	A	0.0000
103	L	A	0.0000
104	L	A	0.0000
105	F	A	0.2430
106	C	A	0.0000
107	L	A	-0.0314
108	E	A	0.0000
109	N	A	-1.8086
110	S	A	-1.9134
111	A	A	-2.5212
112	E	A	-3.1895
113	P	A	-2.5160
114	E	A	-3.2465
115	Q	A	-2.3970
116	S	A	-1.4614
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	-1.3462
125	T	A	-1.1094
126	P	A	-1.2985
127	E	A	-1.5405
128	V	A	-0.1257
129	D	A	-1.4860
130	D	A	-2.7965
131	E	A	-3.0767
132	A	A	0.0000
133	L	A	-2.1666
134	E	A	-3.8184
135	K	A	-3.0079
136	F	A	0.0000
137	D	A	-3.4588
138	K	A	-3.2695
139	A	A	-2.1467
140	L	A	0.0000
141	K	A	-2.4452
142	A	A	-1.2895
143	L	A	-0.4227
144	P	A	-0.5654
145	L	A	0.0000
146	H	A	-1.3777
147	I	A	0.0000
148	R	A	-0.9223
149	L	A	0.0000
150	S	A	-0.5772
151	F	A	0.0000
152	N	A	-1.8038
153	P	A	-1.2682
154	T	A	-1.4462
155	Q	A	-2.5309
156	L	A	0.0000
157	E	A	-3.1323
158	E	A	-3.0993
159	Q	A	0.0000
160	C	A	0.0000
161	H	A	-2.1954
162	I	A	-1.2904
163	M	A	-0.2994
164	E	A	-1.7882
165	G	A	-1.0959
166	T	A	-0.6899
167	F	A	-0.4920
168	T	A	-0.6804
169	S	A	-0.9226
170	D	A	-1.7879
171	V	A	0.0000
172	S	A	-0.8339
173	S	A	-0.9122
174	Y	A	-0.0365
175	L	A	-0.7537
176	E	A	-2.0300
177	G	A	-1.3319
178	Q	A	-1.4276
179	A	A	-1.0815
180	A	A	-0.6736
181	K	A	-1.6523
182	E	A	-0.9977
183	F	A	1.6542
184	I	A	1.9400
185	A	A	0.9602
186	W	A	1.0923
187	L	A	1.3458
188	V	A	1.5266
189	R	A	-0.7477
190	G	A	-1.3459
191	R	A	-2.1234
192	G	A	-1.6795