Project name: VHH2

Chain sequence(s)	H: QVQLQESGGGLVQPGGSLRLSCVLSNGIFSTYGMNWYRQAPGKQREFVASITSSGSTNYSPSVKGRFTISRENAKSTVNLQMNNLNPEDTAVYYCNTWSTWGQGTQVTVSS
Selected Chain(s)	H
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 H 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.9278
• Maximal score value: 1.2034
• Average score: -0.7009
• Total score value: -77.7986

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	H	-1.6715
2	V	H	-1.0184
3	Q	H	-1.8668
4	L	H	0.0000
5	Q	H	-1.1437
6	E	H	0.0000
7	S	H	-0.9147
8	G	H	-1.1579
9	G	H	-0.6269
11	G	H	0.1169
12	L	H	1.1489
13	V	H	0.0659
14	Q	H	-1.3931
15	P	H	-1.8391
16	G	H	-1.7596
17	G	H	-1.1748
18	S	H	-1.3531
19	L	H	-0.9411
20	R	H	-2.0400
21	L	H	0.0000
22	S	H	-0.6297
23	C	H	0.0000
24	V	H	0.0305
25	L	H	0.0000
26	S	H	-1.0437
27	N	H	-1.5474
28	G	H	-0.6395
29	I	H	1.2034
30	F	H	0.0000
35	S	H	-0.2681
36	T	H	0.3244
37	Y	H	0.8855
38	G	H	0.1543
39	M	H	0.0000
40	N	H	0.2678
41	W	H	0.0000
42	Y	H	0.0000
43	R	H	0.0000
44	Q	H	-1.5624
45	A	H	-1.7495
46	P	H	-1.4581
47	G	H	-1.7864
48	K	H	-2.9278
49	Q	H	-2.6735
50	R	H	-1.9444
51	E	H	-1.2558
52	F	H	0.0431
53	V	H	0.0000
54	A	H	0.0000
55	S	H	-0.3577
56	I	H	0.0000
57	T	H	-0.5543
58	S	H	-0.5415
59	S	H	-0.6354
63	G	H	-0.9408
64	S	H	-0.7951
65	T	H	-0.9168
66	N	H	-1.5808
67	Y	H	-1.0171
68	S	H	0.0000
69	P	H	-1.0063
70	S	H	-1.0151
71	V	H	0.0000
72	K	H	-2.2206
74	G	H	-1.6419
75	R	H	-1.6460
76	F	H	0.0000
77	T	H	-0.9997
78	I	H	0.0000
79	S	H	-0.6026
80	R	H	-1.2147
81	E	H	-1.6228
82	N	H	-1.6117
83	A	H	-1.3954
84	K	H	-2.0368
85	S	H	-0.9462
86	T	H	-0.8094
87	V	H	0.0000
88	N	H	-0.7707
89	L	H	0.0000
90	Q	H	-1.1950
91	M	H	0.0000
92	N	H	-1.7199
93	N	H	-2.2103
94	L	H	0.0000
95	N	H	-2.2028
96	P	H	-1.7452
97	E	H	-2.2417
98	D	H	0.0000
99	T	H	-0.7848
100	A	H	0.0000
101	V	H	-0.3053
102	Y	H	0.0000
103	Y	H	-0.2488
104	C	H	0.0000
105	N	H	0.0000
106	T	H	0.0000
107	W	H	1.1947
116	S	H	0.5333
117	T	H	0.2593
118	W	H	0.0903
119	G	H	-0.7624
120	Q	H	-1.5083
121	G	H	-0.7932
122	T	H	-0.8039
123	Q	H	-0.7337
124	V	H	0.0000
125	T	H	-0.1661
126	V	H	0.0000
127	S	H	-0.6731
128	S	H	-0.7560