Project name: VHH2_5

Chain sequence(s)	H: QVQLQESGGGLAQPGGSLRLSCAANRTIGNYYVMGWYRQTPGNQRDLVAVITSGGRTNYTDSVKGRFTISRDNAKNTVDLQMNSLKSEDTAVYYCNLKNLWGTYWGPGTQVTVSS
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.9229
• Maximal score value: 1.5694
• Average score: -0.882
• Total score value: -101.4297

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	-1.7665
2	V	H	0.0000
3	Q	H	-2.1248
4	L	H	0.0000
5	Q	H	-1.6985
6	E	H	-1.0858
7	S	H	-1.2115
8	G	H	-1.3108
9	G	H	-0.7261
11	G	H	0.0430
12	L	H	1.0196
13	A	H	-0.2674
14	Q	H	-1.5072
15	P	H	-1.9254
16	G	H	-1.5395
17	G	H	-1.2597
18	S	H	-1.3036
19	L	H	-1.0156
20	R	H	-2.2528
21	L	H	0.0000
22	S	H	-1.2080
23	C	H	0.0000
24	A	H	-1.6022
25	A	H	0.0000
26	N	H	-2.8490
27	R	H	-2.9229
28	T	H	-1.7829
29	I	H	0.0000
30	G	H	-1.4649
35	N	H	-1.0834
36	Y	H	0.0000
37	Y	H	1.1125
38	V	H	0.3191
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	Y	H	-0.0399
43	R	H	-0.9932
44	Q	H	-1.6794
45	T	H	-1.6539
46	P	H	-1.1241
47	G	H	-1.5696
48	N	H	-2.6529
49	Q	H	-2.7591
50	R	H	-2.2297
51	D	H	-2.2367
52	L	H	-0.3240
53	V	H	0.0000
54	A	H	0.0000
55	V	H	-0.1064
56	I	H	0.0000
57	T	H	-0.5765
58	S	H	-0.9548
59	G	H	-1.2114
63	G	H	-1.8410
64	R	H	-2.3455
65	T	H	-1.4280
66	N	H	-1.5503
67	Y	H	-1.1530
68	T	H	-1.5409
69	D	H	-2.6779
70	S	H	-1.9847
71	V	H	0.0000
72	K	H	-2.8222
74	G	H	-1.7859
75	R	H	-1.7176
76	F	H	0.0000
77	T	H	-1.0211
78	I	H	0.0000
79	S	H	-0.9671
80	R	H	-1.4256
81	D	H	-1.9554
82	N	H	-2.3574
83	A	H	-1.6788
84	K	H	-2.5374
85	N	H	-2.4173
86	T	H	-1.6538
87	V	H	0.0000
88	D	H	-1.2712
89	L	H	0.0000
90	Q	H	-1.3544
91	M	H	0.0000
92	N	H	-1.4029
93	S	H	-1.3422
94	L	H	0.0000
95	K	H	-2.4974
96	S	H	-1.9869
97	E	H	-2.3843
98	D	H	0.0000
99	T	H	-0.8565
100	A	H	0.0000
101	V	H	-0.1391
102	Y	H	0.0000
103	Y	H	-0.1829
104	C	H	0.0000
105	N	H	0.0000
106	L	H	0.0000
107	K	H	0.3081
108	N	H	0.3112
109	L	H	1.5530
114	W	H	1.5694
115	G	H	0.1931
116	T	H	0.1418
117	Y	H	-0.1692
118	W	H	0.2353
119	G	H	0.0000
120	P	H	-0.5261
121	G	H	-0.4612
122	T	H	-0.7206
123	Q	H	-0.6188
124	V	H	0.0000
125	T	H	-0.2598
126	V	H	0.0000
127	S	H	-0.6151
128	S	H	-0.5662