Project name: VHH1_3

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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.9744
• Maximal score value: 1.4612
• Average score: -0.679
• Total score value: -75.3658

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	-1.6490
2	V	H	-0.9525
3	Q	H	-1.8608
4	L	H	0.0000
5	Q	H	-1.2860
6	E	H	0.0000
7	S	H	-0.9967
8	G	H	-1.2045
9	G	H	-0.6397
11	G	H	0.1111
12	L	H	1.1562
13	V	H	0.1053
14	Q	H	-1.3375
15	P	H	-1.7074
16	G	H	-1.6867
17	G	H	-1.1157
18	S	H	-1.3212
19	L	H	-0.9765
20	R	H	-2.1264
21	L	H	0.0000
22	S	H	-0.6623
23	C	H	0.0000
24	V	H	0.1307
25	L	H	0.0000
26	S	H	-1.0344
27	N	H	-1.2620
28	G	H	-0.3470
29	I	H	1.4612
30	F	H	0.0000
35	S	H	-0.2573
36	T	H	0.2825
37	Y	H	0.6260
38	G	H	0.0367
39	M	H	0.0000
40	N	H	0.2471
41	W	H	0.0000
42	Y	H	0.0000
43	R	H	0.0000
44	Q	H	-1.6331
45	A	H	0.0000
46	P	H	-1.4678
47	G	H	-1.7960
48	K	H	-2.9744
49	Q	H	-2.7509
50	R	H	-2.0885
51	E	H	-1.4911
52	F	H	-0.0855
53	V	H	0.0000
54	A	H	0.0000
55	S	H	-0.3497
56	I	H	0.0000
57	T	H	-0.6332
58	S	H	-0.6729
59	S	H	-0.6520
63	G	H	-0.9473
64	S	H	-0.8010
65	T	H	-0.9204
66	N	H	-1.5935
67	Y	H	-1.0469
68	S	H	-0.8197
69	P	H	-1.0375
70	S	H	-0.9779
71	V	H	0.0000
72	K	H	-2.2697
74	G	H	-1.6491
75	R	H	-1.6141
76	F	H	0.0000
77	T	H	-1.0125
78	I	H	0.0000
79	S	H	-0.6029
80	R	H	-1.1960
81	E	H	-1.5978
82	N	H	-1.4405
83	A	H	-1.3822
84	K	H	-2.0086
85	S	H	-0.8510
86	T	H	-0.7536
87	V	H	0.0000
88	N	H	-0.7858
89	L	H	0.0000
90	Q	H	-1.2309
91	M	H	0.0000
92	N	H	-1.6576
93	N	H	-2.1009
94	L	H	0.0000
95	N	H	-1.8237
96	P	H	-1.5629
97	E	H	-2.1203
98	D	H	0.0000
99	T	H	-0.7191
100	A	H	0.0000
101	V	H	-0.2841
102	Y	H	0.0000
103	Y	H	-0.2543
104	C	H	0.0000
105	N	H	0.0000
106	T	H	0.0000
107	W	H	1.1289
116	S	H	0.4596
117	T	H	0.2452
118	W	H	0.0659
119	G	H	-0.8010
120	Q	H	-1.5376
121	G	H	0.0000
122	T	H	-0.8069
123	Q	H	-0.7076
124	V	H	0.0000
125	T	H	-0.1050
126	V	H	0.0000
127	S	H	-0.6160
128	S	H	-0.7676