Project name: bbbboltz

Chain sequence(s)	N: QVQLVESGGGLVQPGGSLRLSAASGGSEYSYSTFSLGWFRQAPGQGLEAVAAIASMGGLTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYTAKPAYEENVANPAAPGVITGQGTLVTVSSRGR
Selected Chain(s)	N
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 N 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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.9675
• Maximal score value: 1.6356
• Average score: -0.5937
• Total score value: -77.1769

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	Q	N	-1.7004
2	V	N	-1.0695
3	Q	N	-1.0068
4	L	N	0.2693
5	V	N	1.0912
6	E	N	0.4646
7	S	N	-0.1801
8	G	N	-0.6556
9	G	N	0.0440
10	G	N	0.4188
11	L	N	0.3666
12	V	N	-0.6351
13	Q	N	-1.9219
14	P	N	-2.1121
15	G	N	-1.6261
16	G	N	-1.2249
17	S	N	-1.3751
18	L	N	-1.0209
19	R	N	-2.0337
20	L	N	0.0000
21	S	N	-0.3744
23	A	N	-0.0268
24	A	N	-0.7973
25	S	N	-1.0713
26	G	N	-1.6213
27	G	N	-1.4921
28	S	N	-1.0071
29	E	N	-1.6876
30	Y	N	0.2939
31	S	N	0.0470
32	Y	N	0.0000
33	S	N	-0.1896
34	T	N	0.3371
35	F	N	0.6437
36	S	N	0.0000
37	L	N	0.0000
38	G	N	0.0000
39	W	N	0.0000
40	F	N	0.0000
41	R	N	0.0000
42	Q	N	-0.8486
43	A	N	-1.1593
44	P	N	-1.1870
45	G	N	-1.3621
46	Q	N	-1.8962
47	G	N	-1.3561
48	L	N	-0.6439
49	E	N	-1.0228
50	A	N	0.0000
51	V	N	0.0000
52	A	N	0.0000
53	A	N	0.0000
54	I	N	0.0000
55	A	N	0.0000
56	S	N	0.5041
57	M	N	0.9508
58	G	N	0.2242
59	G	N	0.2937
60	L	N	1.0062
61	T	N	0.7267
62	Y	N	0.3920
63	Y	N	-0.6007
64	A	N	-1.4492
65	D	N	-2.5122
66	S	N	-1.8402
67	V	N	0.0000
68	K	N	-2.6511
69	G	N	-1.8251
70	R	N	-1.6403
71	F	N	0.0000
72	T	N	-0.8198
73	I	N	0.0000
74	S	N	-0.4617
75	R	N	-0.8045
76	D	N	-1.5471
77	N	N	-1.8577
78	S	N	-1.9765
79	K	N	-2.5602
80	N	N	-1.9956
81	T	N	-0.8811
82	L	N	0.0000
83	Y	N	-0.5210
84	L	N	0.0000
85	Q	N	-1.2258
86	M	N	0.0000
87	N	N	-1.6516
88	S	N	-1.5160
89	L	N	0.0000
90	R	N	-2.9675
91	A	N	-2.0333
92	E	N	-2.4591
93	D	N	0.0000
94	T	N	-0.6239
95	A	N	0.0000
96	V	N	0.6625
97	Y	N	0.0000
98	Y	N	0.4736
100	T	N	0.0000
101	A	N	0.0000
102	K	N	0.0000
103	P	N	-0.1893
104	A	N	-0.4756
105	Y	N	-0.3982
106	E	N	-1.7471
107	E	N	-1.4765
108	N	N	0.0000
109	V	N	0.2463
110	A	N	-0.4962
111	N	N	-1.0450
112	P	N	-0.5836
113	A	N	-0.4494
114	A	N	-0.3417
115	P	N	0.0567
116	G	N	0.3341
117	V	N	1.6356
118	I	N	1.2911
119	T	N	0.2353
120	G	N	0.0974
121	Q	N	-0.6748
122	G	N	0.1231
123	T	N	0.0000
124	L	N	1.4489
125	V	N	0.0000
126	T	N	0.0783
127	V	N	0.0000
128	S	N	-1.7835
129	S	N	-2.0201
130	R	N	-2.7459
131	G	N	-2.3366
132	R	N	-2.4433