Project name: Nanoluc

Chain sequence(s)	A: MVFTLEDFVGDWRQTAGYNLDQVLEQGGVSSLFQNLGVSVTPIQRIVLSGENGLKIDIHVIIPYEGLSGDQMGQIEKIFKVVYPVDDHHFKVILHYGTLVIDGVTPNMIDYFGRPYEGIAVFDGKKITVTGTLWNGNKIIDERLINPDGSLLFRVTINGVTGWRLCERILA
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)

• Minimal score value: -2.8474
• Maximal score value: 1.657
• Average score: -0.6085
• Total score value: -104.048

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	1.6570
2	V	A	1.5987
3	F	A	0.2564
4	T	A	-0.7517
5	L	A	0.0000
6	E	A	-1.8915
7	D	A	-1.2435
8	F	A	0.0000
9	V	A	-0.4289
10	G	A	-0.5066
11	D	A	-0.8435
12	W	A	0.0000
13	R	A	-1.9851
14	Q	A	-1.0889
15	T	A	-0.7878
16	A	A	-0.0813
17	G	A	0.5518
18	Y	A	0.8543
19	N	A	-0.1846
20	L	A	-0.8320
21	D	A	-2.6100
22	Q	A	-2.3908
23	V	A	0.0000
24	L	A	-1.8369
25	E	A	-2.8474
26	Q	A	-2.3481
27	G	A	-1.6813
28	G	A	-1.0502
29	V	A	-0.8045
30	S	A	-0.6317
31	S	A	-1.0124
32	L	A	-0.4457
33	F	A	0.0000
34	Q	A	-1.4438
35	N	A	-1.2569
36	L	A	-0.2987
37	G	A	-0.1219
38	V	A	0.0397
39	S	A	-0.1451
40	V	A	0.3987
41	T	A	0.0509
42	P	A	0.0000
43	I	A	-0.6366
44	Q	A	0.0000
45	R	A	-1.2545
46	I	A	0.0000
47	V	A	0.2614
48	L	A	-0.2066
49	S	A	-0.5894
50	G	A	-1.4675
51	E	A	-2.3961
52	N	A	-2.2480
53	G	A	0.0000
54	L	A	0.0000
55	K	A	-0.6186
56	I	A	0.0000
57	D	A	0.0000
58	I	A	0.0000
59	H	A	-0.1717
60	V	A	0.0000
61	I	A	1.2910
62	I	A	0.0000
63	P	A	-0.9195
64	Y	A	-1.2196
65	E	A	-1.9904
66	G	A	-1.2395
67	L	A	-0.9635
68	S	A	-1.3150
69	G	A	-1.4979
70	D	A	-2.4323
71	Q	A	-1.7884
72	M	A	-1.4459
73	G	A	-2.0894
74	Q	A	-2.0288
75	I	A	0.0000
76	E	A	-2.3595
77	K	A	-2.4233
78	I	A	-0.9279
79	F	A	-0.7657
80	K	A	-1.7621
81	V	A	0.2152
82	V	A	0.6697
83	Y	A	1.2658
84	P	A	0.1514
85	V	A	0.3529
86	D	A	-1.9444
87	D	A	-2.6346
88	H	A	-2.2993
89	H	A	-1.1338
90	F	A	0.0000
91	K	A	0.7190
92	V	A	0.0000
93	I	A	0.3512
94	L	A	0.0000
95	H	A	-1.2212
96	Y	A	0.0000
97	G	A	-0.9648
98	T	A	-0.4108
99	L	A	0.0000
100	V	A	0.7199
101	I	A	0.0000
102	D	A	-0.9122
103	G	A	0.5818
104	V	A	1.5079
105	T	A	0.0000
106	P	A	-0.7509
107	N	A	-2.0246
108	M	A	0.0000
109	I	A	-1.2097
110	D	A	-0.5028
111	Y	A	-0.1318
112	F	A	-0.1270
113	G	A	-1.0227
114	R	A	-1.5152
115	P	A	-1.5737
116	Y	A	0.0000
117	E	A	-1.6537
118	G	A	0.0000
119	I	A	1.5134
120	A	A	0.0000
121	V	A	0.4747
122	F	A	-0.8287
123	D	A	-1.8063
124	G	A	-0.5477
125	K	A	-1.0895
126	K	A	-0.9205
127	I	A	0.0000
128	T	A	-0.0975
129	V	A	0.0000
130	T	A	0.3286
131	G	A	-0.4873
132	T	A	-1.2947
133	L	A	0.0000
134	W	A	-0.6962
135	N	A	-1.1041
136	G	A	-1.3189
137	N	A	-1.9606
138	K	A	-2.3424
139	I	A	0.0000
140	I	A	0.0560
141	D	A	0.0000
142	E	A	-0.1222
143	R	A	0.0000
144	L	A	-0.2998
145	I	A	-0.4305
146	N	A	-0.8734
147	P	A	-1.0978
148	D	A	-2.3178
149	G	A	-1.7814
150	S	A	-1.5879
151	L	A	0.0000
152	L	A	-0.0923
153	F	A	0.0000
154	R	A	-0.4263
155	V	A	-0.0145
156	T	A	-0.6518
157	I	A	0.0000
158	N	A	-2.0607
159	G	A	-1.1533
160	V	A	-0.7619
161	T	A	-0.1995
162	G	A	0.0000
163	W	A	0.3337
164	R	A	0.0000
165	L	A	-0.1426
166	C	A	0.0000
167	E	A	-2.4224
168	R	A	-1.3488
169	I	A	0.1326
170	L	A	1.4053
171	A	A	0.8340