Project name: VHH1_5

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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.9772
• Maximal score value: 1.2677
• Average score: -0.6999
• Total score value: -77.686

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	-1.6695
2	V	H	-1.0708
3	Q	H	-1.9111
4	L	H	0.0000
5	Q	H	-1.4328
6	E	H	0.0000
7	S	H	-0.9928
8	G	H	-1.1796
9	G	H	-0.6350
11	G	H	0.1174
12	L	H	1.1528
13	V	H	0.1051
14	Q	H	-1.3371
15	P	H	-1.7088
16	G	H	-1.6907
17	G	H	-1.1205
18	S	H	-1.3174
19	L	H	-0.9607
20	R	H	-2.0734
21	L	H	0.0000
22	S	H	-0.6851
23	C	H	0.0000
24	V	H	-0.0772
25	L	H	0.0000
26	S	H	-1.2620
27	N	H	-1.6188
28	G	H	-0.6948
29	I	H	0.9159
30	F	H	0.0000
35	S	H	-0.3256
36	T	H	0.2846
37	Y	H	0.9368
38	G	H	0.2539
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	Y	H	0.0000
43	R	H	0.0000
44	Q	H	-1.6571
45	A	H	0.0000
46	P	H	-1.4637
47	G	H	-1.7946
48	K	H	-2.9772
49	Q	H	-2.7734
50	R	H	-2.1356
51	E	H	-1.5733
52	F	H	-0.1756
53	V	H	0.0000
54	A	H	0.0000
55	S	H	-0.3111
56	I	H	0.0000
57	T	H	-0.5226
58	S	H	-0.5453
59	S	H	-0.6507
63	G	H	-0.9449
64	S	H	-0.7986
65	T	H	-0.9079
66	N	H	-1.5749
67	Y	H	-1.0391
68	S	H	-0.7911
69	P	H	-1.0337
70	S	H	-1.0356
71	V	H	0.0000
72	K	H	-2.2229
74	G	H	-1.6255
75	R	H	-1.6125
76	F	H	0.0000
77	T	H	-1.0027
78	I	H	0.0000
79	S	H	-0.5901
80	R	H	-1.1826
81	E	H	-1.5515
82	N	H	-1.5700
83	A	H	-1.3691
84	K	H	-2.0231
85	S	H	-0.9759
86	T	H	-0.7931
87	V	H	0.0000
88	N	H	-0.7732
89	L	H	0.0000
90	Q	H	-1.2073
91	M	H	0.0000
92	N	H	-1.6684
93	N	H	-2.1106
94	L	H	0.0000
95	N	H	-1.8223
96	P	H	-1.5601
97	E	H	-2.1192
98	D	H	0.0000
99	T	H	-0.7176
100	A	H	0.0000
101	V	H	-0.3018
102	Y	H	0.0000
103	Y	H	-0.2721
104	C	H	0.0000
105	N	H	0.0000
106	T	H	0.0000
107	W	H	1.2677
116	S	H	0.5479
117	T	H	0.2743
118	W	H	0.1445
119	G	H	-0.8237
120	Q	H	-1.5024
121	G	H	-0.8682
122	T	H	-0.8545
123	Q	H	-0.6096
124	V	H	0.0000
125	T	H	-0.1057
126	V	H	0.0000
127	S	H	-0.6146
128	S	H	-0.7669